Sample records for developed fe model
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Development, Validation and Parametric study of a 3-Year-Old Child Head Finite Element Model
NASA Astrophysics Data System (ADS)
Cui, Shihai; Chen, Yue; Li, Haiyan; Ruan, ShiJie
2015-12-01
Traumatic brain injury caused by drop and traffic accidents is an important reason for children's death and disability. Recently, the computer finite element (FE) head model has been developed to investigate brain injury mechanism and biomechanical responses. Based on CT data of a healthy 3-year-old child head, the FE head model with detailed anatomical structure was developed. The deep brain structures such as white matter, gray matter, cerebral ventricle, hippocampus, were firstly created in this FE model. The FE model was validated by comparing the simulation results with that of cadaver experiments based on reconstructing the child and adult cadaver experiments. In addition, the effects of skull stiffness on the child head dynamic responses were further investigated. All the simulation results confirmed the good biofidelity of the FE model.
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Development and Validation of Accident Models for FeCrAl Cladding
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gamble, Kyle Allan Lawrence; Hales, Jason Dean
2016-08-01
The purpose of this milestone report is to present the work completed in regards to material model development for FeCrAl cladding and highlight the results of applying these models to Loss of Coolant Accidents (LOCA) and Station Blackouts (SBO). With the limited experimental data available (essentially only the data used to create the models) true validation is not possible. In the absence of another alternative, qualitative comparisons during postulated accident scenarios between FeCrAl and Zircaloy-4 cladded rods have been completed demonstrating the superior performance of FeCrAl.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Wen, Wei; Capolungo, Laurent; Patra, Anirban
This Report addresses the Milestone M2MS-16LA0501032 of NEAMS Program (“Develop hardening model for FeCrAl cladding), with a deadline of 09/30/2016. Here we report a constitutive law for thermal creep of FeCrAl. This Report adds to and complements the one for Milestone M3MS-16LA0501034 (“Interface hardening models with MOOSE-BISON”), where we presented a hardening law for irradiated FeCrAl. The last component of our polycrystal-based constitutive behavior, namely, an irradiation creep model for FeCrAl, will be developed as part of the FY17 Milestones, and the three regimes will be coupled and interfaced with MOOSE-BISON.
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A Global Atmospheric Model of Meteoric Iron
NASA Technical Reports Server (NTRS)
Feng, Wuhu; Marsh, Daniel R.; Chipperfield, Martyn P.; Janches, Diego; Hoffner, Josef; Yi, Fan; Plane, John M. C.
2013-01-01
The first global model of meteoric iron in the atmosphere (WACCM-Fe) has been developed by combining three components: the Whole Atmosphere Community Climate Model (WACCM), a description of the neutral and ion-molecule chemistry of iron in the mesosphere and lower thermosphere (MLT), and a treatment of the injection of meteoric constituents into the atmosphere. The iron chemistry treats seven neutral and four ionized iron containing species with 30 neutral and ion-molecule reactions. The meteoric input function (MIF), which describes the injection of Fe as a function of height, latitude, and day, is precalculated from an astronomical model coupled to a chemical meteoric ablation model (CABMOD). This newly developed WACCM-Fe model has been evaluated against a number of available ground-based lidar observations and performs well in simulating the mesospheric atomic Fe layer. The model reproduces the strong positive correlation of temperature and Fe density around the Fe layer peak and the large anticorrelation around 100 km. The diurnal tide has a significant effect in the middle of the layer, and the model also captures well the observed seasonal variations. However, the model overestimates the peak Fe+ concentration compared with the limited rocket-borne mass spectrometer data available, although good agreement on the ion layer underside can be obtained by adjusting the rate coefficients for dissociative recombination of Fe-molecular ions with electrons. Sensitivity experiments with the same chemistry in a 1-D model are used to highlight significant remaining uncertainties in reaction rate coefficients, and to explore the dependence of the total Fe abundance on the MIF and rate of vertical transport.
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Park, Gwansik; Forman, Jason; Kim, Taewung; Panzer, Matthew B; Crandall, Jeff R
2018-02-28
The goal of this study was to explore a framework for developing injury risk functions (IRFs) in a bottom-up approach based on responses of parametrically variable finite element (FE) models representing exemplar populations. First, a parametric femur modeling tool was developed and validated using a subject-specific (SS)-FE modeling approach. Second, principal component analysis and regression were used to identify parametric geometric descriptors of the human femur and the distribution of those factors for 3 target occupant sizes (5th, 50th, and 95th percentile males). Third, distributions of material parameters of cortical bone were obtained from the literature for 3 target occupant ages (25, 50, and 75 years) using regression analysis. A Monte Carlo method was then implemented to generate populations of FE models of the femur for target occupants, using a parametric femur modeling tool. Simulations were conducted with each of these models under 3-point dynamic bending. Finally, model-based IRFs were developed using logistic regression analysis, based on the moment at fracture observed in the FE simulation. In total, 100 femur FE models incorporating the variation in the population of interest were generated, and 500,000 moments at fracture were observed (applying 5,000 ultimate strains for each synthesized 100 femur FE models) for each target occupant characteristics. Using the proposed framework on this study, the model-based IRFs for 3 target male occupant sizes (5th, 50th, and 95th percentiles) and ages (25, 50, and 75 years) were developed. The model-based IRF was located in the 95% confidence interval of the test-based IRF for the range of 15 to 70% injury risks. The 95% confidence interval of the developed IRF was almost in line with the mean curve due to a large number of data points. The framework proposed in this study would be beneficial for developing the IRFs in a bottom-up manner, whose range of variabilities is informed by the population-based FE model responses. Specifically, this method mitigates the uncertainties in applying empirical scaling and may improve IRF fidelity when a limited number of experimental specimens are available.
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A [NiFe]hydrogenase model that catalyses the release of hydrogen from formic acid.
Nguyen, Nga T; Mori, Yuki; Matsumoto, Takahiro; Yatabe, Takeshi; Kabe, Ryota; Nakai, Hidetaka; Yoon, Ki-Seok; Ogo, Seiji
2014-11-11
We report the decomposition of formic acid to hydrogen and carbon dioxide, catalysed by a NiRu complex originally developed as a [NiFe]hydrogenase model. This is the first example of H2 evolution, catalysed by a [NiFe]hydrogenase model, which does not require additional energy.
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Zhang, Qi; Kindig, Matthew; Li, Zuoping; Crandall, Jeff R; Kerrigan, Jason R
2014-08-22
Clavicle injuries were frequently observed in automotive side and frontal crashes. Finite element (FE) models have been developed to understand the injury mechanism, although no clavicle loading response corridors yet exist in the literature to ensure the model response biofidelity. Moreover, the typically developed structural level (e.g., force-deflection) response corridors were shown to be insufficient for verifying the injury prediction capacity of FE model, which usually is based on strain related injury criteria. Therefore, the purpose of this study is to develop both the structural (force vs deflection) and material level (strain vs force) clavicle response corridors for validating FE models for injury risk modeling. 20 Clavicles were loaded to failure under loading conditions representative of side and frontal crashes respectively, half of which in axial compression, and the other half in three point bending. Both structural and material response corridors were developed for each loading condition. FE model that can accurately predict structural response and strain level provides a more useful tool in injury risk modeling and prediction. The corridor development method in this study could also be extended to develop corridors for other components of the human body. Copyright © 2014 Elsevier Ltd. All rights reserved.
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Development and validation of a 10-year-old child ligamentous cervical spine finite element model.
Dong, Liqiang; Li, Guangyao; Mao, Haojie; Marek, Stanley; Yang, King H
2013-12-01
Although a number of finite element (FE) adult cervical spine models have been developed to understand the injury mechanisms of the neck in automotive related crash scenarios, there have been fewer efforts to develop a child neck model. In this study, a 10-year-old ligamentous cervical spine FE model was developed for application in the improvement of pediatric safety related to motor vehicle crashes. The model geometry was obtained from medical scans and meshed using a multi-block approach. Appropriate properties based on review of literature in conjunction with scaling were assigned to different parts of the model. Child tensile force-deformation data in three segments, Occipital-C2 (C0-C2), C4-C5 and C6-C7, were used to validate the cervical spine model and predict failure forces and displacements. Design of computer experiments was performed to determine failure properties for intervertebral discs and ligaments needed to set up the FE model. The model-predicted ultimate displacements and forces were within the experimental range. The cervical spine FE model was validated in flexion and extension against the child experimental data in three segments, C0-C2, C4-C5 and C6-C7. Other model predictions were found to be consistent with the experimental responses scaled from adult data. The whole cervical spine model was also validated in tension, flexion and extension against the child experimental data. This study provided methods for developing a child ligamentous cervical spine FE model and to predict soft tissue failures in tension.
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Modeling of optical mirror and electromechanical behavior
NASA Astrophysics Data System (ADS)
Wang, Fang; Lu, Chao; Liu, Zishun; Liu, Ai Q.; Zhang, Xu M.
2001-10-01
This paper presents finite element (FE) simulation and theoretical analysis of novel MEMS fiber-optical switches actuated by electrostatic attraction. FE simulation for the switches under static and dynamic loading are first carried out to reveal the mechanical characteristics of the minimum or critical switching voltages, the natural frequencies, mode shapes and response under different levels of electrostatic attraction load. To validate the FE simulation results, a theoretical (or analytical) model is then developed for one specific switch, i.e., Plate_40_104. Good agreement is found between the FE simulation and the analytical results. From both FE simulation and theoretical analysis, the critical switching voltage for Plate_40_104 is derived to be 238 V for the switching angel of 12 degree(s). The critical switching on and off times are 431 microsecond(s) and 67 microsecond(s) , respectively. The present study not only develops good FE and analytical models, but also demonstrates step by step a method to simplify a real optical switch structure with reference to the FE simulation results for analytical purpose. With the FE and analytical models, it is easy to obtain any information about the mechanical behaviors of the optical switches, which are helpful in yielding optimized design.
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Repositioning the knee joint in human body FE models using a graphics-based technique.
Jani, Dhaval; Chawla, Anoop; Mukherjee, Sudipto; Goyal, Rahul; Vusirikala, Nataraju; Jayaraman, Suresh
2012-01-01
Human body finite element models (FE-HBMs) are available in standard occupant or pedestrian postures. There is a need to have FE-HBMs in the same posture as a crash victim or to be configured in varying postures. Developing FE models for all possible positions is not practically viable. The current work aims at obtaining a posture-specific human lower extremity model by reconfiguring an existing one. A graphics-based technique was developed to reposition the lower extremity of an FE-HBM by specifying the flexion-extension angle. Elements of the model were segregated into rigid (bones) and deformable components (soft tissues). The bones were rotated about the flexion-extension axis followed by rotation about the longitudinal axis to capture the twisting of the tibia. The desired knee joint movement was thus achieved. Geometric heuristics were then used to reposition the skin. A mapping defined over the space between bones and the skin was used to regenerate the soft tissues. Mesh smoothing was then done to augment mesh quality. The developed method permits control over the kinematics of the joint and maintains the initial mesh quality of the model. For some critical areas (in the joint vicinity) where element distortion is large, mesh smoothing is done to improve mesh quality. A method to reposition the knee joint of a human body FE model was developed. Repositions of a model from 9 degrees of flexion to 90 degrees of flexion in just a few seconds without subjective interventions was demonstrated. Because the mesh quality of the repositioned model was maintained to a predefined level (typically to the level of a well-made model in the initial configuration), the model was suitable for subsequent simulations.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Patra, Anirban; Wen, Wei; Martinez Saez, Enrique
2016-02-05
It is essential to understand the deformation behavior of these Fe-Cr-Al alloys, in order to be able to develop models for predicting their mechanical response under varied loading conditions. Interaction of dislocations with the radiation-induced defects governs the crystallographic deformation mechanisms. A crystal plasticity framework is employed to model these mechanisms in Fe-Cr-Al alloys. This work builds on a previously developed defect density-based crystal plasticity model for bcc metals and alloys, with necessary modifications made to account for the defect substructure observed in Fe-Cr-Al alloys. The model is implemented in a Visco-Plastic Self Consistent (VPSC) framework, to predict the mechanicalmore » behavior under quasi-static loading.« less
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Lim, H.; Hale, L. M.; Zimmerman, J. A.; ...
2015-01-05
In this study, we develop an atomistically informed crystal plasticity finite element (CP-FE) model for body-centered-cubic (BCC) α-Fe that incorporates non-Schmid stress dependent slip with temperature and strain rate effects. Based on recent insights obtained from atomistic simulations, we propose a new constitutive model that combines a generalized non-Schmid yield law with aspects from a line tension (LT) model for describing activation enthalpy required for the motion of dislocation kinks. Atomistic calculations are conducted to quantify the non-Schmid effects while both experimental data and atomistic simulations are used to assess the temperature and strain rate effects. The parameterized constitutive equationmore » is implemented into a BCC CP-FE model to simulate plastic deformation of single and polycrystalline Fe which is compared with experimental data from the literature. This direct comparison demonstrates that the atomistically informed model accurately captures the effects of crystal orientation, temperature and strain rate on the flow behavior of siangle crystal Fe. Furthermore, our proposed CP-FE model exhibits temperature and strain rate dependent flow and yield surfaces in polycrystalline Fe that deviate from conventional CP-FE models based on Schmid's law.« less
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Modelling human skull growth: a validated computational model
Marghoub, Arsalan; Johnson, David; Khonsari, Roman H.; Fagan, Michael J.; Moazen, Mehran
2017-01-01
During the first year of life, the brain grows rapidly and the neurocranium increases to about 65% of its adult size. Our understanding of the relationship between the biomechanical forces, especially from the growing brain, the craniofacial soft tissue structures and the individual bone plates of the skull vault is still limited. This basic knowledge could help in the future planning of craniofacial surgical operations. The aim of this study was to develop a validated computational model of skull growth, based on the finite-element (FE) method, to help understand the biomechanics of skull growth. To do this, a two-step validation study was carried out. First, an in vitro physical three-dimensional printed model and an in silico FE model were created from the same micro-CT scan of an infant skull and loaded with forces from the growing brain from zero to two months of age. The results from the in vitro model validated the FE model before it was further developed to expand from 0 to 12 months of age. This second FE model was compared directly with in vivo clinical CT scans of infants without craniofacial conditions (n = 56). The various models were compared in terms of predicted skull width, length and circumference, while the overall shape was quantified using three-dimensional distance plots. Statistical analysis yielded no significant differences between the male skull models. All size measurements from the FE model versus the in vitro physical model were within 5%, with one exception showing a 7.6% difference. The FE model and in vivo data also correlated well, with the largest percentage difference in size being 8.3%. Overall, the FE model results matched well with both the in vitro and in vivo data. With further development and model refinement, this modelling method could be used to assist in preoperative planning of craniofacial surgery procedures and could help to reduce reoperation rates. PMID:28566514
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Modelling human skull growth: a validated computational model.
Libby, Joseph; Marghoub, Arsalan; Johnson, David; Khonsari, Roman H; Fagan, Michael J; Moazen, Mehran
2017-05-01
During the first year of life, the brain grows rapidly and the neurocranium increases to about 65% of its adult size. Our understanding of the relationship between the biomechanical forces, especially from the growing brain, the craniofacial soft tissue structures and the individual bone plates of the skull vault is still limited. This basic knowledge could help in the future planning of craniofacial surgical operations. The aim of this study was to develop a validated computational model of skull growth, based on the finite-element (FE) method, to help understand the biomechanics of skull growth. To do this, a two-step validation study was carried out. First, an in vitro physical three-dimensional printed model and an in silico FE model were created from the same micro-CT scan of an infant skull and loaded with forces from the growing brain from zero to two months of age. The results from the in vitro model validated the FE model before it was further developed to expand from 0 to 12 months of age. This second FE model was compared directly with in vivo clinical CT scans of infants without craniofacial conditions ( n = 56). The various models were compared in terms of predicted skull width, length and circumference, while the overall shape was quantified using three-dimensional distance plots. Statistical analysis yielded no significant differences between the male skull models. All size measurements from the FE model versus the in vitro physical model were within 5%, with one exception showing a 7.6% difference. The FE model and in vivo data also correlated well, with the largest percentage difference in size being 8.3%. Overall, the FE model results matched well with both the in vitro and in vivo data. With further development and model refinement, this modelling method could be used to assist in preoperative planning of craniofacial surgery procedures and could help to reduce reoperation rates. © 2017 The Author(s).
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A finite element head and neck model as a supportive tool for deformable image registration.
Kim, Jihun; Saitou, Kazuhiro; Matuszak, Martha M; Balter, James M
2016-07-01
A finite element (FE) head and neck model was developed as a tool to aid investigations and development of deformable image registration and patient modeling in radiation oncology. Useful aspects of a FE model for these purposes include ability to produce realistic deformations (similar to those seen in patients over the course of treatment) and a rational means of generating new configurations, e.g., via the application of force and/or displacement boundary conditions. The model was constructed based on a cone-beam computed tomography image of a head and neck cancer patient. The three-node triangular surface meshes created for the bony elements (skull, mandible, and cervical spine) and joint elements were integrated into a skeletal system and combined with the exterior surface. Nodes were additionally created inside the surface structures which were composed of the three-node triangular surface meshes, so that four-node tetrahedral FE elements were created over the whole region of the model. The bony elements were modeled as a homogeneous linear elastic material connected by intervertebral disks. The surrounding tissues were modeled as a homogeneous linear elastic material. Under force or displacement boundary conditions, FE analysis on the model calculates approximate solutions of the displacement vector field. A FE head and neck model was constructed that skull, mandible, and cervical vertebrae were mechanically connected by disks. The developed FE model is capable of generating realistic deformations that are strain-free for the bony elements and of creating new configurations of the skeletal system with the surrounding tissues reasonably deformed. The FE model can generate realistic deformations for skeletal elements. In addition, the model provides a way of evaluating the accuracy of image alignment methods by producing a ground truth deformation and correspondingly simulated images. The ability to combine force and displacement conditions provides flexibility for simulating realistic anatomic configurations.
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Cui, Shihai; Shan, Leilei; Li, Haiyan; Lu, Wenle; He, Lijuan; Ruan, Shijie
2017-02-01
Finite element(FE) model of thorax with high biofidelity is one of the most important methods to investigate thoracic injury mechanism because of the absence of pediatric cadaver experiments. Based on the validated thorax finite element model, the FE models with equivalent muscles and real geometric muscles were developed respectively, and the effect of muscle biofidelity on thoracic injury was analyzed with reconstructing pediatric cadaver thorax impact experiments. The simulation results showed that the thoracic impact force, the maximum displacement and the maximum von-Mises stress of FE models with equivalent muscles were slightly greater than those from FE models with real geometric muscles, and the maximum principal strains of heart and lung were a little lower. And the correlation coefficient between cadaver corridor and FE model with real muscles was also greater than that between cadaver corridor and FE model with equivalent muscles. As a conclusion, the FE models with real geometric muscles can accurately reflect the biomechanical response of thorax during the impact.
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Song, Wei; Zhai, Lin-Feng; Cui, Yu-Zhi; Sun, Min; Jiang, Yuan
2013-06-06
Due to the high redox activity of Fe(II) and its abundance in natural waters, the electro-oxidation of Fe(II) can be found in many air-cathode fuel cell systems, such as acid mine drainage fuel cells and sediment microbial fuel cells. To deeply understand these iron-related systems, it is essential to elucidate the kinetics and mechanisms involved in the electro-oxidation of Fe(II). This work aims to develop a kinetic model that adequately describes the electro-oxidation process of Fe(II) in air-cathode fuel cells. The speciation of Fe(II) is incorporated into the model, and contributions of individual Fe(II) species to the overall Fe(II) oxidation rate are quantitatively evaluated. The results show that the kinetic model can accurately predict the electro-oxidation rate of Fe(II) in air-cathode fuel cells. FeCO3, Fe(OH)2, and Fe(CO3)2(2-) are the most important species determining the electro-oxidation kinetics of Fe(II). The Fe(II) oxidation rate is primarily controlled by the oxidation of FeCO3 species at low pH, whereas at high pH Fe(OH)2 and Fe(CO3)2(2-) are the dominant species. Solution pH, carbonate concentration, and solution salinity are able to influence the electro-oxidation kinetics of Fe(II) through changing both distribution and kinetic activity of Fe(II) species.
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Radiative forcing by light-absorbing aerosols of pyrogenetic iron oxides.
Ito, Akinori; Lin, Guangxing; Penner, Joyce E
2018-05-09
Iron (Fe) oxides in aerosols are known to absorb sun light and heat the atmosphere. However, the radiative forcing (RF) of light-absorbing aerosols of pyrogenetic Fe oxides is ignored in climate models. For the first time, we use a global chemical transport model and a radiative transfer model to estimate the RF by light-absorbing aerosols of pyrogenetic Fe oxides. The model results suggest that strongly absorbing Fe oxides (magnetite) contribute a RF that is about 10% of the RF due to black carbon (BC) over East Asia. The seasonal average of the RF due to dark Fe-rich mineral particles over East Asia (0.4-1.0 W m -2 ) is comparable to that over major biomass burning regions. This additional warming effect is amplified over polluted regions where the iron and steel industries have been recently developed. These findings may have important implications for the projection of the climate change, due to the rapid growth in energy consumption of the heavy industry in newly developing countries.
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NASA Astrophysics Data System (ADS)
Chu, Xinzhao; Yu, Zhibin
2017-06-01
With a thermosphere-ionosphere Fe/Fe+ (TIFe) model developed from first principles at the University of Colorado, we present the first quantitative investigation of formation mechanisms of thermospheric Fe layers observed by lidar in Antarctica. These recently discovered neutral metal layers in the thermosphere between 100 and 200 km provide unique tracers for studies of fundamental processes in the space-atmosphere interaction region. The TIFe model formulates and expands the TIFe theory originally proposed by Chu et al. that the thermospheric Fe layers are produced through the neutralization of converged Fe+ layers. Through testing mechanisms and reproducing the 28 May 2011 event at McMurdo, we conceive the lifecycle of meteoric metals via deposition, transport, chemistry, and wave dynamics for thermospheric Fe layers with gravity wave signatures. While the meteor injection of iron species is negligible above 120 km, the polar electric field transports metallic ions Fe+ upward from their main deposition region into the E-F regions, providing the major source of Fe+ (and accordingly Fe) in the thermosphere. Atmospheric wave-induced vertical shears of vertical and horizontal winds converge Fe+ to form dense Fe+ layers. Direct electron-Fe+ recombination is the major channel to neutralize Fe+ layers to form Fe above 120 km. Fe layer shapes are determined by multiple factors of neutral winds, electric field, and aurora activity. Gravity-wave-induced vertical wind plays a key role in forming gravity-wave-shaped Fe layers. Aurora particle precipitation enhances Fe+ neutralization by increasing electron density while accelerating Fe loss via charge transfer with enhanced NO+ and O2+ densities.
Plain Language SummaryThe discoveries of neutral metal layers reaching near 200 km in the thermosphere have significant scientific merit because such discoveries challenge the current understandings of upper atmospheric composition, chemistry, dynamics, electrodynamics, and energetics. Furthermore, these neutral metal layers provide tracers for direct measurements of the neutral properties in the least understood but crucially important space-atmosphere interaction region in the altitude range of 100-200 km. With a thermosphere-ionosphere Fe/Fe+ (TIFe) model developed from first principles at the University of Colorado, we present the first quantitative investigation of formation mechanisms of thermospheric Fe layers observed by lidar in Antarctica. The TIFe model formulates the TIFe theory depicting the lifecycle of meteoric metals via deposition, transport, chemistry, and wave dynamics. Antarctic lidar observations were successfully reproduced with the TIFe model simulations. These TIFe layers provide a unique natural laboratory for understanding the fundamental processes critical to advancing the research of space-atmosphere interactions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011icov.conf..801S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011icov.conf..801S"><span>FE Modelling of the Fluid-Structure-Acoustic Interaction for the Vocal Folds Self-Oscillation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Švancara, Pavel; Horáček, J.; Hrůza, V.</p> <p></p> <p>The flow induced self-oscillation of the human vocal folds in interaction with acoustic processes in the simplified vocal tract model was explored by three-dimensional (3D) finite element (FE) model. Developed FE model includes vocal folds pretension before phonation, large deformations of the vocal fold tissue, vocal folds contact, fluid-structure interaction, morphing the fluid mesh according the vocal folds motion (Arbitrary Lagrangian-Eulerian approach), unsteady viscous compressible airflow described by the Navier-Stokes equations and airflow separation during the glottis closure. Iterative partitioned approach is used for modelling the fluid-structure interaction. Computed results prove that the developed model can be used for simulation of the vocal folds self-oscillation and resulting acoustic waves. The developed model enables to numerically simulate an influence of some pathological changes in the vocal fold tissue on the voice production.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li class="active"><span>1</span></li> <li><a href="#" onclick='return showDiv("page_2");'>2</a></li> <li><a href="#" onclick='return showDiv("page_3");'>3</a></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_1 --> <div id="page_2" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_1");'>1</a></li> <li class="active"><span>2</span></li> <li><a href="#" onclick='return showDiv("page_3");'>3</a></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="21"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22695987','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22695987"><span>A finite element model of the foot and ankle for automotive impact applications.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Shin, Jaeho; Yue, Neng; Untaroiu, Costin D</p> <p>2012-12-01</p> <p>A finite element (FE) model of the foot and leg was developed to improve understanding of injury mechanisms of the ankle and subtalar joints during vehicle collisions and to aid in the design of injury countermeasures. The FE model was developed based on the reconstructed geometry of a male volunteer close to the anthropometry of a 50th percentile male and a commercial anatomical database. While the forefoot bones were defined as rigid bodies connected by ligament models, the surrounding bones of the ankle and subtalar joints and the leg bones were modeled as deformable structures. The material and structural properties were selected based on a synthesis of current knowledge of the constitutive models for each tissue. The whole foot and leg model was validated in different loading conditions including forefoot impact, axial rotation, dorsiflexion, and combined loadings. Overall results obtained in the model validation indicated improved biofidelity relative to previous FE models. The developed model was used to investigate the injury tolerance of the ankle joint under brake pedal loading for internally and externally rotated feet. Ligament failures were predicted as the main source of injury in this loading condition. A 12% variation of failure moment was observed in the range of axial foot rotations (±15°). The most vulnerable position was the internally rotated (15°) posture among three different foot positions. Furthermore, the present foot and ankle model will be coupled together with other body region FE models into the state-of-art human FE model to be used in the field of automotive safety.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21512916','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21512916"><span>Development and validation of age-dependent FE human models of a mid-sized male thorax.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>El-Jawahri, Raed E; Laituri, Tony R; Ruan, Jesse S; Rouhana, Stephen W; Barbat, Saeed D</p> <p>2010-11-01</p> <p>The increasing number of people over 65 years old (YO) is an important research topic in the area of impact biomechanics, and finite element (FE) modeling can provide valuable support for related research. There were three objectives of this study: (1) Estimation of the representative age of the previously-documented Ford Human Body Model (FHBM) -- an FE model which approximates the geometry and mass of a mid-sized male, (2) Development of FE models representing two additional ages, and (3) Validation of the resulting three models to the extent possible with respect to available physical tests. Specifically, the geometry of the model was compared to published data relating rib angles to age, and the mechanical properties of different simulated tissues were compared to a number of published aging functions. The FHBM was determined to represent a 53-59 YO mid-sized male. The aforementioned aging functions were used to develop FE models representing two additional ages: 35 and 75 YO. The rib model was validated against human rib specimens and whole rib tests, under different loading conditions, with and without modeled fracture. In addition, the resulting three age-dependent models were validated by simulating cadaveric tests of blunt and sled impacts. The responses of the models, in general, were within the cadaveric response corridors. When compared to peak responses from individual cadavers similar in size and age to the age-dependent models, some responses were within one standard deviation of the test data. All the other responses, but one, were within two standard deviations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5289304','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5289304"><span>Fluid-structure interaction study of transcatheter aortic valve dynamics using smoothed particle hydrodynamics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Mao, Wenbin; Li, Kewei; Sun, Wei</p> <p>2016-01-01</p> <p>Computational modeling of heart valve dynamics incorporating both fluid dynamics and valve structural responses has been challenging. In this study, we developed a novel fully-coupled fluid-structure interaction (FSI) model using smoothed particle hydrodynamics (SPH). A previously developed nonlinear finite element (FE) model of transcatheter aortic valves (TAV) was utilized to couple with SPH to simulate valve leaflet dynamics throughout the entire cardiac cycle. Comparative simulations were performed to investigate the impact of using FE-only models versus FSI models, as well as an isotropic versus an anisotropic leaflet material model in TAV simulations. From the results, substantial differences in leaflet kinematics between FE-only and FSI models were observed, and the FSI model could capture the realistic leaflet dynamic deformation due to its more accurate spatial and temporal loading conditions imposed on the leaflets. The stress and the strain distributions were similar between the FE and FSI simulations. However, the peak stresses were different due to the water hammer effect induced by the flow inertia in the FSI model during the closing phase, which led to 13%–28% lower peak stresses in the FE-only model compared to that of the FSI model. The simulation results also indicated that tissue anisotropy had a minor impact on hemodynamics of the valve. However, a lower tissue stiffness in the radial direction of the leaflets could reduce the leaflet peak stress caused by the water hammer effect. It is hoped that the developed FSI models can serve as an effective tool to better assess valve dynamics and optimize next generation TAV designs. PMID:27844463</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27844463','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27844463"><span>Fluid-Structure Interaction Study of Transcatheter Aortic Valve Dynamics Using Smoothed Particle Hydrodynamics.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Mao, Wenbin; Li, Kewei; Sun, Wei</p> <p>2016-12-01</p> <p>Computational modeling of heart valve dynamics incorporating both fluid dynamics and valve structural responses has been challenging. In this study, we developed a novel fully-coupled fluid-structure interaction (FSI) model using smoothed particle hydrodynamics (SPH). A previously developed nonlinear finite element (FE) model of transcatheter aortic valves (TAV) was utilized to couple with SPH to simulate valve leaflet dynamics throughout the entire cardiac cycle. Comparative simulations were performed to investigate the impact of using FE-only models vs. FSI models, as well as an isotropic vs. an anisotropic leaflet material model in TAV simulations. From the results, substantial differences in leaflet kinematics between FE-only and FSI models were observed, and the FSI model could capture the realistic leaflet dynamic deformation due to its more accurate spatial and temporal loading conditions imposed on the leaflets. The stress and the strain distributions were similar between the FE and FSI simulations. However, the peak stresses were different due to the water hammer effect induced by the fluid inertia in the FSI model during the closing phase, which led to 13-28% lower peak stresses in the FE-only model compared to that of the FSI model. The simulation results also indicated that tissue anisotropy had a minor impact on hemodynamics of the valve. However, a lower tissue stiffness in the radial direction of the leaflets could reduce the leaflet peak stress caused by the water hammer effect. It is hoped that the developed FSI models can serve as an effective tool to better assess valve dynamics and optimize next generation TAV designs.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4228177','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4228177"><span>Nanoparticulate iron(III) oxo-hydroxide delivers safe iron that is well absorbed and utilised in humans</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Pereira, Dora I.A.; Bruggraber, Sylvaine F.A.; Faria, Nuno; Poots, Lynsey K.; Tagmount, Mani A.; Aslam, Mohamad F.; Frazer, David M.; Vulpe, Chris D.; Anderson, Gregory J.; Powell, Jonathan J.</p> <p>2014-01-01</p> <p>Iron deficiency is the most common nutritional disorder worldwide with substantial impact on health and economy. Current treatments predominantly rely on soluble iron which adversely affects the gastrointestinal tract. We have developed organic acid-modified Fe(III) oxo-hydroxide nanomaterials, here termed nano Fe(III), as alternative safe iron delivery agents. Nano Fe(III) absorption in humans correlated with serum iron increase (P < 0.0001) and direct in vitro cellular uptake (P = 0.001), but not with gastric solubility. The most promising preparation (iron hydroxide adipate tartrate: IHAT) showed ~80% relative bioavailability to Fe(II) sulfate in humans and, in a rodent model, IHAT was equivalent to Fe(II) sulfate at repleting haemoglobin. Furthermore, IHAT did not accumulate in the intestinal mucosa and, unlike Fe(II) sulfate, promoted a beneficial microbiota. In cellular models, IHAT was 14-fold less toxic than Fe(II) sulfate/ascorbate. Nano Fe(III) manifests minimal acute intestinal toxicity in cellular and murine models and shows efficacy at treating iron deficiency anaemia. From the Clinical Editor This paper reports the development of novel nano-Fe(III) formulations, with the goal of achieving a magnitude less intestinal toxicity and excellent bioavailability in the treatment of iron deficiency anemia. Out of the tested preparations, iron hydroxide adipate tartrate met the above criteria, and may become an important tool in addressing this common condition. PMID:24983890</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://pubs.er.usgs.gov/publication/70016549','USGSPUBS'); return false;" href="https://pubs.er.usgs.gov/publication/70016549"><span>Enzymatic versus nonenzymatic mechanisms for Fe(III) reduction in aquatic sediments</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://pubs.er.usgs.gov/pubs/index.jsp?view=adv">USGS Publications Warehouse</a></p> <p>Lovley, D.R.; Phillips, E.J.P.; Lonergan, D.J.</p> <p>1991-01-01</p> <p>The potential for nonenzymatic reduction of Fe(III) either by organic compounds or by the development of a low redox potential during microbial metabolism was compared with direct, enzymatic Fe(III) reduction by Fe(III)-reducing microorganisms. At circumneutral pH, very few organic compounds nonenzymatically reduced Fe(III). In contrast, in the presence of the appropriate Fe(IH)-reducing microorganisms, most of the organic compounds examined could be completely oxidized to carbon dioxide with the reduction of Fe(III). Even for those organic compounds that could nonenzymatically reduce Fe(III), microbial Fe(III) reduction was much more extensive. The development of a low redox potential during microbial fermentation did not result in nonenzymatic Fe(III) reduction. Model organic compounds were readily oxidized in Fe(III)-reducing aquifer sediments, but not in sterilized sediments. These results suggest that microorganisms enzymatically catalyze most of the Fe(III) reduction in the Fe(III) reduction zone of aquatic sediments and aquifers.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016AIPC.1769j0006F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016AIPC.1769j0006F"><span>Calibration of 3D ALE finite element model from experiments on friction stir welding of lap joints</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Fourment, Lionel; Gastebois, Sabrina; Dubourg, Laurent</p> <p>2016-10-01</p> <p>In order to support the design of such a complex process like Friction Stir Welding (FSW) for the aeronautic industry, numerical simulation software requires (1) developing an efficient and accurate Finite Element (F.E.) formulation that allows predicting welding defects, (2) properly modeling the thermo-mechanical complexity of the FSW process and (3) calibrating the F.E. model from accurate measurements from FSW experiments. This work uses a parallel ALE formulation developed in the Forge® F.E. code to model the different possible defects (flashes and worm holes), while pin and shoulder threads are modeled by a new friction law at the tool / material interface. FSW experiments require using a complex tool with scroll on shoulder, which is instrumented for providing sensitive thermal data close to the joint. Calibration of unknown material thermal coefficients, constitutive equations parameters and friction model from measured forces, torques and temperatures is carried out using two F.E. models, Eulerian and ALE, to reach a satisfactory agreement assessed by the proper sensitivity of the simulation to process parameters.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23784057','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23784057"><span>Adsorption of multi-heavy metals Zn and Cu onto surficial sediments: modeling and adsorption capacity analysis.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Li, Shanshan; Zhang, Chen; Wang, Meng; Li, Yu</p> <p>2014-01-01</p> <p>Improved multiple regression adsorption models (IMRAMs) was developed to estimate the adsorption capacity of the components [Fe oxides (Fe), Mn oxides (Mn), organic materials (OMs), residuals] in surficial sediments for multi-heavy metal Zn and Cu. IMRAM is an improved version over MRAM, which introduces a computer program in the model developing process. As MRAM, Zn(Cu) IMRAM, and Cu(Zn) IMRAM again confirmed that there is significant interaction effects that control the adsorption of compounded Zn and Cu, which was neglected by additional adsorption model. The verification experiment shows that the relative deviation of the IMRAMs is less than 13%. It is revealed by the IMRAMs that Mn, which has the greatest adsorption capability for compounded Zn and Cu (54.889 and 161.180 mg/l, respectively), follows by interference adsorption capacity of Fe/Mn (-1.072 and -24.591 mg/l respectively). Zn and Cu influence each other through different mechanisms. When Zn is the adsorbate, compounded Cu mainly affects the adsorption capacities of Fe/Mn and Fe/Mn/OMs; while when Cu is the adsorbate, compounded Zn mainly exerts its effect on Mn, Fe/Mn, and Mn/OMs. It also shows that the compounded Zn or Cu weakened the interference adsorption of Fe/Mn, and meanwhile, strengthened the interference adsorption of Mn/OMs.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/12547369','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/12547369"><span>Concept and development of an orthotropic FE model of the proximal femur.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wirtz, Dieter Christian; Pandorf, Thomas; Portheine, Frank; Radermacher, Klaus; Schiffers, Norbert; Prescher, Andreas; Weichert, Dieter; Niethard, Fritz Uwe</p> <p>2003-02-01</p> <p>In contrast to many isotropic finite-element (FE) models of the femur in literature, it was the object of our study to develop an orthotropic FE "model femur" to realistically simulate three-dimensional bone remodelling. The three-dimensional geometry of the proximal femur was reconstructed by CT scans of a pair of cadaveric femurs at equal distances of 2mm. These three-dimensional CT models were implemented into an FE simulation tool. Well-known "density-determined" bony material properties (Young's modulus; Poisson's ratio; ultimate strength in pressure, tension and torsion; shear modulus) were assigned to each FE of the same "CT-density-characterized" volumetric group. In order to fix the principal directions of stiffness in FE areas with the same "density characterization", the cadaveric femurs were cut in 2mm slices in frontal (left femur) and sagittal plane (right femur). Each femoral slice was scanned into a computer-based image processing system. On these images, the principal directions of stiffness of cancellous and cortical bone were determined manually using the orientation of the trabecular structures and the Haversian system. Finally, these geometric data were matched with the "CT-density characterized" three-dimensional femur model. In addition, the time and density-dependent adaptive behaviour of bone remodelling was taken into account by implementation of Carter's criterion. In the constructed "model femur", each FE is characterized by the principal directions of the stiffness and the "CT-density-determined" material properties of cortical and cancellous bone. Thus, on the basis of anatomic data a three-dimensional FE simulation reference model of the proximal femur was realized considering orthotropic conditions of bone behaviour. With the orthotropic "model femur", the fundamental basis has been formed to realize realistic simulations of the dynamical processes of bone remodelling under different loading conditions or operative procedures (osteotomies, total hip replacements, etc).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24983890','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24983890"><span>Nanoparticulate iron(III) oxo-hydroxide delivers safe iron that is well absorbed and utilised in humans.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Pereira, Dora I A; Bruggraber, Sylvaine F A; Faria, Nuno; Poots, Lynsey K; Tagmount, Mani A; Aslam, Mohamad F; Frazer, David M; Vulpe, Chris D; Anderson, Gregory J; Powell, Jonathan J</p> <p>2014-11-01</p> <p>Iron deficiency is the most common nutritional disorder worldwide with substantial impact on health and economy. Current treatments predominantly rely on soluble iron which adversely affects the gastrointestinal tract. We have developed organic acid-modified Fe(III) oxo-hydroxide nanomaterials, here termed nano Fe(III), as alternative safe iron delivery agents. Nano Fe(III) absorption in humans correlated with serum iron increase (P < 0.0001) and direct in vitro cellular uptake (P = 0.001), but not with gastric solubility. The most promising preparation (iron hydroxide adipate tartrate: IHAT) showed ~80% relative bioavailability to Fe(II) sulfate in humans and, in a rodent model, IHAT was equivalent to Fe(II) sulfate at repleting haemoglobin. Furthermore, IHAT did not accumulate in the intestinal mucosa and, unlike Fe(II) sulfate, promoted a beneficial microbiota. In cellular models, IHAT was 14-fold less toxic than Fe(II) sulfate/ascorbate. Nano Fe(III) manifests minimal acute intestinal toxicity in cellular and murine models and shows efficacy at treating iron deficiency anaemia. This paper reports the development of novel nano-Fe(III) formulations, with the goal of achieving a magnitude less intestinal toxicity and excellent bioavailability in the treatment of iron deficiency anemia. Out of the tested preparations, iron hydroxide adipate tartrate met the above criteria, and may become an important tool in addressing this common condition. Crown Copyright © 2014. Published by Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29404847','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29404847"><span>Human Brain Modeling with Its Anatomical Structure and Realistic Material Properties for Brain Injury Prediction.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Atsumi, Noritoshi; Nakahira, Yuko; Tanaka, Eiichi; Iwamoto, Masami</p> <p>2018-05-01</p> <p>Impairments of executive brain function after traumatic brain injury (TBI) due to head impacts in traffic accidents need to be obviated. Finite element (FE) analyses with a human brain model facilitate understanding of the TBI mechanisms. However, conventional brain FE models do not suitably describe the anatomical structure in the deep brain, which is a critical region for executive brain function, and the material properties of brain parenchyma. In this study, for better TBI prediction, a novel brain FE model with anatomical structure in the deep brain was developed. The developed model comprises a constitutive model of brain parenchyma considering anisotropy and strain rate dependency. Validation was performed against postmortem human subject test data associated with brain deformation during head impact. Brain injury analyses were performed using head acceleration curves obtained from reconstruction analysis of rear-end collision with a human whole-body FE model. The difference in structure was found to affect the regions of strain concentration, while the difference in material model contributed to the peak strain value. The injury prediction result by the proposed model was consistent with the characteristics in the neuroimaging data of TBI patients due to traffic accidents.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1351763-mechanical-properties-neutron-irradiated-model-commercial-fecral-alloys','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1351763-mechanical-properties-neutron-irradiated-model-commercial-fecral-alloys"><span>Mechanical properties of neutron-irradiated model and commercial FeCrAl alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Field, Kevin G.; Briggs, Samuel A.; Sridharan, Kumar; ...</p> <p>2017-03-28</p> <p>The development and understanding of the mechanical properties of neutron-irradiated FeCrAl alloys is increasingly a critical need as these alloys continue to become more mature for nuclear reactor applications. This study focuses on the mechanical properties of model FeCrAl alloys and of a commercial FeCrAl alloy neutron-irradiated to up to 13.8 displacements per atom (dpa) at irradiation temperatures between 320 and 382 °C. Tensile tests were completed at room temperature and at 320 °C, and a subset of fractured tensile specimens was examined by scanning electron microscopy. Results showed typical radiation hardening and embrittlement indicative of high chromium ferritic alloysmore » with strong chromium composition dependencies at lower doses. At and above 7.0 dpa, the mechanical properties saturated for both the commercial and model FeCrAl alloys, although brittle cleavage fracture was observed at the highest dose in the model FeCrAl alloy with the highest chromium content (18 wt %). Finally, the results suggest the composition and microstructure of FeCrAl alloys plays a critical role in the mechanical response of FeCrAl alloys irradiated near temperatures relevant to light water reactors.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JNuM..489..118F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JNuM..489..118F"><span>Mechanical properties of neutron-irradiated model and commercial FeCrAl alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Field, Kevin G.; Briggs, Samuel A.; Sridharan, Kumar; Howard, Richard H.; Yamamoto, Yukinori</p> <p>2017-06-01</p> <p>The development and understanding of the mechanical properties of neutron-irradiated FeCrAl alloys is increasingly a critical need as these alloys continue to become more mature for nuclear reactor applications. This study focuses on the mechanical properties of model FeCrAl alloys and of a commercial FeCrAl alloy neutron-irradiated to up to 13.8 displacements per atom (dpa) at irradiation temperatures between 320 and 382 °C. Tensile tests were completed at room temperature and at 320 °C, and a subset of fractured tensile specimens was examined by scanning electron microscopy. Results showed typical radiation hardening and embrittlement indicative of high chromium ferritic alloys with strong chromium composition dependencies at lower doses. At and above 7.0 dpa, the mechanical properties saturated for both the commercial and model FeCrAl alloys, although brittle cleavage fracture was observed at the highest dose in the model FeCrAl alloy with the highest chromium content (18 wt %). The results suggest the composition and microstructure of FeCrAl alloys plays a critical role in the mechanical response of FeCrAl alloys irradiated near temperatures relevant to light water reactors.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23286295','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23286295"><span>High bioavailability iron maize (Zea mays L.) developed through molecular breeding provides more absorbable iron in vitro (Caco-2 model) and in vivo (Gallus gallus).</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Tako, Elad; Hoekenga, Owen A; Kochian, Leon V; Glahn, Raymond P</p> <p>2013-01-04</p> <p>Iron (Fe) deficiency is the most common micronutrient deficiency worldwide. Iron biofortification is a preventative strategy that alleviates Fe deficiency by improving the amount of absorbable Fe in crops. In the present study, we used an in vitro digestion/Caco 2 cell culture model as the guiding tool for breeding and development of two maize (Zea mays L.) lines with contrasting Fe bioavailability (ie. Low and High). Our objective was to confirm and validate the in vitro results and approach. Also, to compare the capacities of our two maize hybrid varieties to deliver Fe for hemoglobin (Hb) synthesis and to improve the Fe status of Fe deficient broiler chickens. We compared the Fe-bioavailability between these two maize varieties with the presence or absence of added Fe in the maize based-diets. Diets were made with 75% (w/w) maize of either low or high Fe-bioavailability maize, with or without Fe (ferric citrate). Chicks (Gallus gallus) were fed the diets for 6 wk. Hb, liver ferritin and Fe related transporter/enzyme gene-expression were measured. Hemoglobin maintenance efficiency (HME) and total body Hb Fe values were used to estimate Fe bioavailability from the diets. DMT-1, DcytB and ferroportin expressions were higher (P<0.05) in the "Low Fe" group than in the "High Fe" group (no added Fe), indicating lower Fe status and adaptation to less Fe-bioavailability. At times, Hb concentrations (d 21,28,35), HME (d 21), Hb-Fe (as from d 14) and liver ferritin were higher in the "High Fe" than in the "Low Fe" groups (P<0.05), indicating greater Fe absorption from the diet and improved Fe status. We conclude that the High Fe-bioavailability maize contains more bioavailable Fe than the Low Fe-bioavailability maize, presumably due to a more favorable matrix for absorption. Maize shows promise for Fe biofortification; therefore, human trials should be conducted to determine the efficacy of consuming the high bioavailable Fe maize to reduce Fe deficiency.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3545989','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3545989"><span>High bioavailablilty iron maize (Zea mays L.) developed through molecular breeding provides more absorbable iron in vitro (Caco-2 model) and in vivo (Gallus gallus)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p></p> <p>2013-01-01</p> <p>Background Iron (Fe) deficiency is the most common micronutrient deficiency worldwide. Iron biofortification is a preventative strategy that alleviates Fe deficiency by improving the amount of absorbable Fe in crops. In the present study, we used an in vitro digestion/Caco 2 cell culture model as the guiding tool for breeding and development of two maize (Zea mays L.) lines with contrasting Fe bioavailability (ie. Low and High). Our objective was to confirm and validate the in vitro results and approach. Also, to compare the capacities of our two maize hybrid varieties to deliver Fe for hemoglobin (Hb) synthesis and to improve the Fe status of Fe deficient broiler chickens. Methods We compared the Fe-bioavailability between these two maize varieties with the presence or absence of added Fe in the maize based-diets. Diets were made with 75% (w/w) maize of either low or high Fe-bioavailability maize, with or without Fe (ferric citrate). Chicks (Gallus gallus) were fed the diets for 6 wk. Hb, liver ferritin and Fe related transporter/enzyme gene-expression were measured. Hemoglobin maintenance efficiency (HME) and total body Hb Fe values were used to estimate Fe bioavailability from the diets. Results DMT-1, DcytB and ferroportin expressions were higher (P < 0.05) in the "Low Fe" group than in the "High Fe" group (no added Fe), indicating lower Fe status and adaptation to less Fe-bioavailability. At times, Hb concentrations (d 21,28,35), HME (d 21), Hb-Fe (as from d 14) and liver ferritin were higher in the "High Fe" than in the "Low Fe" groups (P < 0.05), indicating greater Fe absorption from the diet and improved Fe status. Conclusions We conclude that the High Fe-bioavailability maize contains more bioavailable Fe than the Low Fe-bioavailability maize, presumably due to a more favorable matrix for absorption. Maize shows promise for Fe biofortification; therefore, human trials should be conducted to determine the efficacy of consuming the high bioavailable Fe maize to reduce Fe deficiency. PMID:23286295</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhDT........67H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhDT........67H"><span>Electrical Resistance Based Damage Modeling of Multifunctional Carbon Fiber Reinforced Polymer Matrix Composites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Hart, Robert James</p> <p></p> <p>In the current thesis, the 4-probe electrical resistance of carbon fiber-reinforced polymer (CFRP) composites is utilized as a metric for sensing low-velocity impact damage. A robust method has been developed for recovering the directionally dependent electrical resistivities using an experimental line-type 4-probe resistance method. Next, the concept of effective conducting thickness was uniquely applied in the development of a brand new point-type 4-probe method for applications with electrically anisotropic materials. An extensive experimental study was completed to characterize the 4-probe electrical resistance of CFRP specimens using both the traditional line-type and new point-type methods. Leveraging the concept of effective conducting thickness, a novel method was developed for building 4-probe electrical finite element (FE) models in COMSOL. The electrical models were validated against experimental resistance measurements and the FE models demonstrated predictive capabilities when applied to CFRP specimens with varying thickness and layup. These new models demonstrated a significant improvement in accuracy compared to previous literature and could provide a framework for future advancements in FE modeling of electrically anisotropic materials. FE models were then developed in ABAQUS for evaluating the influence of prescribed localized damage on the 4-probe resistance. Experimental data was compiled on the impact response of various CFRP laminates, and was used in the development of quasi- static FE models for predicting presence of impact-induced delamination. The simulation-based delamination predictions were then integrated into the electrical FE models for the purpose of studying the influence of realistic damage patterns on electrical resistance. When the size of the delamination damage was moderate compared to the electrode spacing, the electrical resistance increased by less than 1% due to the delamination damage. However, for a specimen with large delamination extending beyond the electrode locations, the oblique resistance increased by 30%. This result suggests that for damage sensing applications, the spacing of electrodes relative to the size of the delamination is important. Finally CT image data was used to model 3-D void distributions and the electrical response of such specimens were compared to models with no voids. As the void content increased, the electrical resistance increased non-linearly. The relationship between void content and electrical resistance was attributed to a combination of three factors: (i) size and shape, (ii) orientation, and (iii) distribution of voids. As a whole, the current thesis provides a comprehensive framework for developing predictive, resistance-based damage sensing models for CFRP laminates of various layup and thickness.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2723897','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2723897"><span>Finite element modeling of sound transmission with perforations of tympanic membrane</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Gan, Rong Z.; Cheng, Tao; Dai, Chenkai; Yang, Fan; Wood, Mark W.</p> <p>2009-01-01</p> <p>A three-dimensional finite element (FE) model of human ear with structures of the external ear canal, middle ear, and cochlea has been developed recently. In this paper, the FE model was used to predict the effect of tympanic membrane (TM) perforations on sound transmission through the middle ear. Two perforations were made in the posterior-inferior quadrant and inferior site of the TM in the model with areas of 1.33 and 0.82 mm2, respectively. These perforations were also created in human temporal bones with the same size and location. The vibrations of the TM (umbo) and stapes footplate were calculated from the model and measured from the temporal bones using laser Doppler vibrometers. The sound pressure in the middle ear cavity was derived from the model and measured from the bones. The results demonstrate that the TM perforations can be simulated in the FE model with geometrical visualization. The FE model provides reasonable predictions on effects of perforation size and location on middle ear transfer function. The middle ear structure-function relationship can be revealed with multi-field coupled FE analysis. PMID:19603881</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010MMI....16...83M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010MMI....16...83M"><span>Grain growth in nanocrystalline iron and Fe-Al alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mirzadeh, Hamed; Zomorodian, Amir</p> <p>2010-02-01</p> <p>The effects of the annealing temperature and time, cryomilling in liquid nitrogen, and the addition of aluminum powder on the thermal stability and grain growth behavior of nanocrystalline iron were modeled using the Artificial Neural Network (ANN) technique. The developed model can be used as a guide for the quantification of the grain growth by considering the effects of annealing temperature and time. The model also quantified the effect of Al on the thermal stability of cryomilled nanocrystalline Fe. The model results showed that the cryomilling of Fe has a tangible effect on the stabilization of the nanostructure.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26123978','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26123978"><span>Regression modeling and prediction of road sweeping brush load characteristics from finite element analysis and experimental results.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wang, Chong; Sun, Qun; Wahab, Magd Abdel; Zhang, Xingyu; Xu, Limin</p> <p>2015-09-01</p> <p>Rotary cup brushes mounted on each side of a road sweeper undertake heavy debris removal tasks but the characteristics have not been well known until recently. A Finite Element (FE) model that can analyze brush deformation and predict brush characteristics have been developed to investigate the sweeping efficiency and to assist the controller design. However, the FE model requires large amount of CPU time to simulate each brush design and operating scenario, which may affect its applications in a real-time system. This study develops a mathematical regression model to summarize the FE modeled results. The complex brush load characteristic curves were statistically analyzed to quantify the effects of cross-section, length, mounting angle, displacement and rotational speed etc. The data were then fitted by a multiple variable regression model using the maximum likelihood method. The fitted results showed good agreement with the FE analysis results and experimental results, suggesting that the mathematical regression model may be directly used in a real-time system to predict characteristics of different brushes under varying operating conditions. The methodology may also be used in the design and optimization of rotary brush tools. Copyright © 2015 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MS%26E..287a2014T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MS%26E..287a2014T"><span>Numerical Simulation of Roller Levelling using SIMULIA Abaqus</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Trusov, K. A.; Mishnev, P. A.; Kopaev, O. V.; Nushtaev, D. V.</p> <p>2017-12-01</p> <p>The finite element (FE) 2D-model of roller levelling process is developed in the SIMILIA Abaqus. The objective of this paper is development FE-model and investigation of adjustable parameters of roller leveller together with elastic-plastic material behaviour. Properties of the material were determined experimentally. After levelling, the strip had a residual stress distribution. The longbow after cutting is predicted too. Recommendation for practical use were proposed.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_1");'>1</a></li> <li class="active"><span>2</span></li> <li><a href="#" onclick='return showDiv("page_3");'>3</a></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_2 --> <div id="page_3" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_1");'>1</a></li> <li><a href="#" onclick='return showDiv("page_2");'>2</a></li> <li class="active"><span>3</span></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="41"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29414839','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29414839"><span>Mechanism-Based FE Simulation of Tool Wear in Diamond Drilling of SiCp/Al Composites.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Xiang, Junfeng; Pang, Siqin; Xie, Lijing; Gao, Feinong; Hu, Xin; Yi, Jie; Hu, Fang</p> <p>2018-02-07</p> <p>The aim of this work is to analyze the micro mechanisms underlying the wear of macroscale tools during diamond machining of SiC p /Al6063 composites and to develop the mechanism-based diamond wear model in relation to the dominant wear behaviors. During drilling, high volume fraction SiC p /Al6063 composites containing Cu, the dominant wear mechanisms of diamond tool involve thermodynamically activated physicochemical wear due to diamond-graphite transformation catalyzed by Cu in air atmosphere and mechanically driven abrasive wear due to high-frequency scrape of hard SiC reinforcement on tool surface. An analytical diamond wear model, coupling Usui abrasive wear model and Arrhenius extended graphitization wear model was proposed and implemented through a user-defined subroutine for tool wear estimates. Tool wear estimate in diamond drilling of SiC p /Al6063 composites was achieved by incorporating the combined abrasive-chemical tool wear subroutine into the coupled thermomechanical FE model of 3D drilling. The developed drilling FE model for reproducing diamond tool wear was validated for feasibility and reliability by comparing numerically simulated tool wear morphology and experimentally observed results after drilling a hole using brazed polycrystalline diamond (PCD) and chemical vapor deposition (CVD) diamond coated tools. A fairly good agreement of experimental and simulated results in cutting forces, chip and tool wear morphologies demonstrates that the developed 3D drilling FE model, combined with a subroutine for diamond tool wear estimate can provide a more accurate analysis not only in cutting forces and chip shape but also in tool wear behavior during drilling SiC p /Al6063 composites. Once validated and calibrated, the developed diamond tool wear model in conjunction with other machining FE models can be easily extended to the investigation of tool wear evolution with various diamond tool geometries and other machining processes in cutting different workpiece materials.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/17574704','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/17574704"><span>Channel flow and trichloroethylene treatment in a partly iron-filled fracture: experimental and model results.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cai, Zuansi; Merly, Corrine; Thomson, Neil R; Wilson, Ryan D; Lerner, David N</p> <p>2007-08-15</p> <p>Technical developments have now made it possible to emplace granular zero-valent iron (Fe(0)) in fractured media to create a Fe(0) fracture reactive barrier (Fe(0) FRB) for the treatment of contaminated groundwater. To evaluate this concept, we conducted a laboratory experiment in which trichloroethylene (TCE) contaminated water was flushed through a single uniform fracture created between two sandstone blocks. This fracture was partly filled with what was intended to be a uniform thickness of iron. Partial treatment of TCE by iron demonstrated that the concept of a Fe(0) FRB is practical, but was less than anticipated for an iron layer of uniform thickness. When the experiment was disassembled, evidence of discrete channelised flow was noted and attributed to imperfect placement of the iron. To evaluate the effect of the channel flow, an explicit Channel Model was developed that simplifies this complex flow regime into a conceptualised set of uniform and parallel channels. The mathematical representation of this conceptualisation directly accounts for (i) flow channels and immobile fluid arising from the non-uniform iron placement, (ii) mass transfer from the open fracture to iron and immobile fluid regions, and (iii) degradation in the iron regions. A favourable comparison between laboratory data and the results from the developed mathematical model suggests that the model is capable of representing TCE degradation in fractures with non-uniform iron placement. In order to apply this Channel Model concept to a Fe(0) FRB system, a simplified, or implicit, Lumped Channel Model was developed where the physical and chemical processes in the iron layer and immobile fluid regions are captured by a first-order lumped rate parameter. The performance of this Lumped Channel Model was compared to laboratory data, and benchmarked against the Channel Model. The advantages of the Lumped Channel Model are that the degradation of TCE in the system is represented by a first-order parameter that can be used directly in readily available numerical simulators.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007JCHyd..93..284C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007JCHyd..93..284C"><span>Channel flow and trichloroethylene treatment in a partly iron-filled fracture: Experimental and model results</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Cai, Zuansi; Merly, Corrine; Thomson, Neil R.; Wilson, Ryan D.; Lerner, David N.</p> <p>2007-08-01</p> <p>Technical developments have now made it possible to emplace granular zero-valent iron (Fe 0) in fractured media to create a Fe 0 fracture reactive barrier (Fe 0 FRB) for the treatment of contaminated groundwater. To evaluate this concept, we conducted a laboratory experiment in which trichloroethylene (TCE) contaminated water was flushed through a single uniform fracture created between two sandstone blocks. This fracture was partly filled with what was intended to be a uniform thickness of iron. Partial treatment of TCE by iron demonstrated that the concept of a Fe 0 FRB is practical, but was less than anticipated for an iron layer of uniform thickness. When the experiment was disassembled, evidence of discrete channelised flow was noted and attributed to imperfect placement of the iron. To evaluate the effect of the channel flow, an explicit Channel Model was developed that simplifies this complex flow regime into a conceptualised set of uniform and parallel channels. The mathematical representation of this conceptualisation directly accounts for (i) flow channels and immobile fluid arising from the non-uniform iron placement, (ii) mass transfer from the open fracture to iron and immobile fluid regions, and (iii) degradation in the iron regions. A favourable comparison between laboratory data and the results from the developed mathematical model suggests that the model is capable of representing TCE degradation in fractures with non-uniform iron placement. In order to apply this Channel Model concept to a Fe 0 FRB system, a simplified, or implicit, Lumped Channel Model was developed where the physical and chemical processes in the iron layer and immobile fluid regions are captured by a first-order lumped rate parameter. The performance of this Lumped Channel Model was compared to laboratory data, and benchmarked against the Channel Model. The advantages of the Lumped Channel Model are that the degradation of TCE in the system is represented by a first-order parameter that can be used directly in readily available numerical simulators.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5848949','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5848949"><span>Mechanism-Based FE Simulation of Tool Wear in Diamond Drilling of SiCp/Al Composites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Xiang, Junfeng; Pang, Siqin; Xie, Lijing; Gao, Feinong; Hu, Xin; Yi, Jie; Hu, Fang</p> <p>2018-01-01</p> <p>The aim of this work is to analyze the micro mechanisms underlying the wear of macroscale tools during diamond machining of SiCp/Al6063 composites and to develop the mechanism-based diamond wear model in relation to the dominant wear behaviors. During drilling, high volume fraction SiCp/Al6063 composites containing Cu, the dominant wear mechanisms of diamond tool involve thermodynamically activated physicochemical wear due to diamond-graphite transformation catalyzed by Cu in air atmosphere and mechanically driven abrasive wear due to high-frequency scrape of hard SiC reinforcement on tool surface. An analytical diamond wear model, coupling Usui abrasive wear model and Arrhenius extended graphitization wear model was proposed and implemented through a user-defined subroutine for tool wear estimates. Tool wear estimate in diamond drilling of SiCp/Al6063 composites was achieved by incorporating the combined abrasive-chemical tool wear subroutine into the coupled thermomechanical FE model of 3D drilling. The developed drilling FE model for reproducing diamond tool wear was validated for feasibility and reliability by comparing numerically simulated tool wear morphology and experimentally observed results after drilling a hole using brazed polycrystalline diamond (PCD) and chemical vapor deposition (CVD) diamond coated tools. A fairly good agreement of experimental and simulated results in cutting forces, chip and tool wear morphologies demonstrates that the developed 3D drilling FE model, combined with a subroutine for diamond tool wear estimate can provide a more accurate analysis not only in cutting forces and chip shape but also in tool wear behavior during drilling SiCp/Al6063 composites. Once validated and calibrated, the developed diamond tool wear model in conjunction with other machining FE models can be easily extended to the investigation of tool wear evolution with various diamond tool geometries and other machining processes in cutting different workpiece materials. PMID:29414839</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1389929','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1389929"><span>Overview of lower length scale model development for accident tolerant fuels regarding U3Si2 fuel and FeCrAl cladding</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Zhang, Yongfeng</p> <p>2016-09-01</p> <p>U3Si2 and FeCrAl have been proposed as fuel and cladding concepts, respectively, for accident tolerance fuels with higher tolerance to accident scenarios compared to UO2. However, a lot of key physics and material properties regarding their in-pile performance are yet to be explored. To accelerate the understanding and reduce the cost of experimental studies, multiscale modeling and simulation are used to develop physics-based materials models to assist engineering scale fuel performance modeling. In this report, the lower-length-scale efforts in method and material model development supported by the Accident Tolerance Fuel (ATF) high-impact-problem (HIP) under the NEAMS program are summarized. Significantmore » progresses have been made regarding interatomic potential, phase field models for phase decomposition and gas bubble formation, and thermal conductivity for U3Si2 fuel, and precipitation in FeCrAl cladding. The accomplishments are very useful by providing atomistic and mesoscale tools, improving the current understanding, and delivering engineering scale models for these two ATF concepts.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22198962','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22198962"><span>Mouse model of necrotic tuberculosis granulomas develops hypoxic lesions.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Harper, Jamie; Skerry, Ciaran; Davis, Stephanie L; Tasneen, Rokeya; Weir, Mariah; Kramnik, Igor; Bishai, William R; Pomper, Martin G; Nuermberger, Eric L; Jain, Sanjay K</p> <p>2012-02-15</p> <p>Preclinical evaluation of tuberculosis drugs is generally limited to mice. However, necrosis and hypoxia, key features of human tuberculosis lesions, are lacking in conventional mouse strains. We used C3HeB/FeJ mice, which develop necrotic lesions in response to Mycobacterium tuberculosis infection. Positron emission tomography in live infected animals, postmortem pimonidazole immunohistochemistry, and bacterial gene expression analyses were used to assess whether tuberculosis lesions in C3HeB/FeJ are hypoxic. Efficacy of combination drug treatment, including PA-824, active against M. tuberculosis under hypoxic conditions, was also evaluated. Tuberculosis lesions in C3HeB/FeJ (but not BALB/c) were found to be hypoxic and associated with up-regulation of known hypoxia-associated bacterial genes (P < .001). Contrary to sustained activity reported elsewhere in BALB/c mice, moxifloxacin and pyrazinamide (MZ) combination was not bactericidal beyond 3 weeks in C3HeB/FeJ. Although PA-824 added significant activity, the novel combination of PA-824 and MZ was less effective than the standard first-line regimen in C3HeB/FeJ. We demonstrate that tuberculosis lesions in C3HeB/FeJ are hypoxic. Activities of some key tuberculosis drug regimens in development are represented differently in C3HeB/FeJ versus BALB/c mice. Because C3HeB/FeJ display key features of human tuberculosis, this strain warrants evaluation as a more pathologically relevant model for preclinical studies.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1993AAS...182.4701H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1993AAS...182.4701H"><span>NLTE Line Blanketed Model Atmospheres for Hot, Metal-rich White Dwarfs</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Hubeny, I.; Lanz, T.</p> <p>1993-05-01</p> <p>Recent observations of some hot DA white dwarfs (Feige 24, G191 B2B - Sion et al. 1992, Ap.J. 391, L29; Vennes et al. 1992, Ap.J. 392, L27) and subsequent analyses have demonstrated that their atmospheres are contaminated with heavy metal species with appreciable abundances. So far, modeling was mostly limited to calculating synthetic spectra (usually in LTE), based on previously calculated model atmospheres that were constructed assuming a simplified chemical composition. However, in reality the metal lines may also significantly influence the temperature structure, and consequently the ionization balance of some important species. Since the effective temperature is rather high (55000 to 60000 K), the NLTE effects may be important despite the high gravity. Therefore, in order to settle the question on metal abundances of hot DA white dwarfs, we need to calculate NLTE fully line blanketed model atmospheres. Using our previously developed hybrid complete linearization/accelerated lambda iteration method, we have calculated a set of NLTE models including H, He, C, N, O, and Fe, with some 13000 lines of Fe IV, Fe V and Fe VI taken into account explicitly in model construction. The NLTE departure coefficients for all levels of Fe IV, Fe V, and Fe VI are then employed in the spectrum synthesis program SYNSPEC. In the first part of this study, we present a theoretical comparison between models computed with adding more and more opacity sources, and show how the temperature structure and synthetic spectra develop. We also discuss possible errors arising from using an inconsistent spectrum synthesis (the metals considered only in the spectrum synthesis, not in the model construction). In the second part, we compare the computed UV spectra with with available observations of Feige 24 and G191 B2B, and deduce limits for the iron abundance of these stars.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AGUFM.H51M..08Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AGUFM.H51M..08Z"><span>Compositional Reservoir Simulation of Highly Heterogeneous and Anisotropic Fractured Media in 2D and 3D Unstructured Gridding</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zidane, A.; Firoozabadi, A.</p> <p>2017-12-01</p> <p>We present an efficient and accurate numerical model for multicomponent compressible single-phase flow in 2D and 3D fractured media based on higher-order discretization. The numerical model accounts for heterogeneity and anisotropy in unstructured gridding with low mesh dependency. The efficiency of our model is demonstrated by having comparable CPU time between fractured and unfractured media. The fracture cross-flow equilibrium approach (FCFE) is applied on triangular finite elements (FE) in 2D. This allows simulating fractured reservoirs with all possible orientations of fractures as opposed to rectangular FE. In 3D we apply the FCFE approach on the prism FE. The prism FE with FCFE allows simulating realistic fractured domains compared to hexahedron FE. In addition, when using FCFE on triangular and prism FE there is no limitation on the number of intersecting fractures, whereas in rectangular and hexahedron FE the number is limited to 2 in 2D and 3 in 3D. To generate domains with complicated boundaries, we have developed a computer-aided design (CAD) interface in our model. The advances introduced in this work are demonstrated through various examples.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27123826','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27123826"><span>Biofidelic white matter heterogeneity decreases computational model predictions of white matter strains during rapid head rotations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Maltese, Matthew R; Margulies, Susan S</p> <p>2016-11-01</p> <p>The finite element (FE) brain model is used increasingly as a design tool for developing technology to mitigate traumatic brain injury. We developed an ultra high-definition FE brain model (>4 million elements) from CT and MRI scans of a 2-month-old pre-adolescent piglet brain, and simulated rapid head rotations. Strain distributions in the thalamus, coronal radiata, corpus callosum, cerebral cortex gray matter, brainstem and cerebellum were evaluated to determine the influence of employing homogeneous brain moduli, or distinct experimentally derived gray and white matter property representations, where some white matter regions are stiffer and others less stiff than gray matter. We find that constitutive heterogeneity significantly lowers white matter deformations in all regions compared with homogeneous properties, and should be incorporated in FE model injury prediction.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010PhDT.......142L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010PhDT.......142L"><span>Full-scale testing and progressive damage modeling of sandwich composite aircraft fuselage structure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Leone, Frank A., Jr.</p> <p></p> <p>A comprehensive experimental and computational investigation was conducted to characterize the fracture behavior and structural response of large sandwich composite aircraft fuselage panels containing artificial damage in the form of holes and notches. Full-scale tests were conducted where panels were subjected to quasi-static combined pressure, hoop, and axial loading up to failure. The panels were constructed using plain-weave carbon/epoxy prepreg face sheets and a Nomex honeycomb core. Panel deformation and notch tip damage development were monitored during the tests using several techniques, including optical observations, strain gages, digital image correlation (DIC), acoustic emission (AE), and frequency response (FR). Additional pretest and posttest inspections were performed via thermography, computer-aided tap tests, ultrasound, x-radiography, and scanning electron microscopy. The framework to simulate damage progression and to predict residual strength through use of the finite element (FE) method was developed. The DIC provided local and full-field strain fields corresponding to changes in the state-of-damage and identified the strain components driving damage progression. AE was monitored during loading of all panels and data analysis methodologies were developed to enable real-time determination of damage initiation, progression, and severity in large composite structures. The FR technique has been developed, evaluating its potential as a real-time nondestructive inspection technique applicable to large composite structures. Due to the large disparity in scale between the fuselage panels and the artificial damage, a global/local analysis was performed. The global FE models fully represented the specific geometries, composite lay-ups, and loading mechanisms of the full-scale tests. A progressive damage model was implemented in the local FE models, allowing the gradual failure of elements in the vicinity of the artificial damage. A set of modifications to the definitions of the local FE model boundary conditions is proposed and developed to address several issues related to the scalability of progressive damage modeling concepts, especially in regards to full-scale fuselage structures. Notable improvements were observed in the ability of the FE models to predict the strength of damaged composite fuselage structures. Excellent agreement has been established between the FE model predictions and the experimental results recorded by DIC, AE, FR, and visual observations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvB..95f4415O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvB..95f4415O"><span>Modeling the thickness dependence of the magnetic phase transition temperature in thin FeRh films</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ostler, Thomas Andrew; Barton, Craig; Thomson, Thomas; Hrkac, Gino</p> <p>2017-02-01</p> <p>FeRh and its first-order phase transition can open new routes for magnetic hybrid materials and devices under the assumption that it can be exploited in ultra-thin-film structures. Motivated by experimental measurements showing an unexpected increase in the phase transition temperature with decreasing thickness of FeRh on top of MgO, we develop a computational model to investigate strain effects of FeRh in such magnetic structures. Our theoretical results show that the presence of the MgO interface results in a strain that changes the magnetic configuration which drives the anomalous behavior.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JSV...416...94S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JSV...416...94S"><span>Analytical validation of an explicit finite element model of a rolling element bearing with a localised line spall</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Singh, Sarabjeet; Howard, Carl Q.; Hansen, Colin H.; Köpke, Uwe G.</p> <p>2018-03-01</p> <p>In this paper, numerically modelled vibration response of a rolling element bearing with a localised outer raceway line spall is presented. The results were obtained from a finite element (FE) model of the defective bearing solved using an explicit dynamics FE software package, LS-DYNA. Time domain vibration signals of the bearing obtained directly from the FE modelling were processed further to estimate time-frequency and frequency domain results, such as spectrogram and power spectrum, using standard signal processing techniques pertinent to the vibration-based monitoring of rolling element bearings. A logical approach to analyses of the numerically modelled results was developed with an aim to presenting the analytical validation of the modelled results. While the time and frequency domain analyses of the results show that the FE model generates accurate bearing kinematics and defect frequencies, the time-frequency analysis highlights the simulation of distinct low- and high-frequency characteristic vibration signals associated with the unloading and reloading of the rolling elements as they move in and out of the defect, respectively. Favourable agreement of the numerical and analytical results demonstrates the validation of the results from the explicit FE modelling of the bearing.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26586144','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26586144"><span>Utilizing multiple scale models to improve predictions of extra-axial hemorrhage in the immature piglet.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Scott, Gregory G; Margulies, Susan S; Coats, Brittany</p> <p>2016-10-01</p> <p>Traumatic brain injury (TBI) is a leading cause of death and disability in the USA. To help understand and better predict TBI, researchers have developed complex finite element (FE) models of the head which incorporate many biological structures such as scalp, skull, meninges, brain (with gray/white matter differentiation), and vasculature. However, most models drastically simplify the membranes and substructures between the pia and arachnoid membranes. We hypothesize that substructures in the pia-arachnoid complex (PAC) contribute substantially to brain deformation following head rotation, and that when included in FE models accuracy of extra-axial hemorrhage prediction improves. To test these hypotheses, microscale FE models of the PAC were developed to span the variability of PAC substructure anatomy and regional density. The constitutive response of these models were then integrated into an existing macroscale FE model of the immature piglet brain to identify changes in cortical stress distribution and predictions of extra-axial hemorrhage (EAH). Incorporating regional variability of PAC substructures substantially altered the distribution of principal stress on the cortical surface of the brain compared to a uniform representation of the PAC. Simulations of 24 non-impact rapid head rotations in an immature piglet animal model resulted in improved accuracy of EAH prediction (to 94 % sensitivity, 100 % specificity), as well as a high accuracy in regional hemorrhage prediction (to 82-100 % sensitivity, 100 % specificity). We conclude that including a biofidelic PAC substructure variability in FE models of the head is essential for improved predictions of hemorrhage at the brain/skull interface.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25680299','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25680299"><span>Computed tomography landmark-based semi-automated mesh morphing and mapping techniques: generation of patient specific models of the human pelvis without segmentation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Salo, Zoryana; Beek, Maarten; Wright, David; Whyne, Cari Marisa</p> <p>2015-04-13</p> <p>Current methods for the development of pelvic finite element (FE) models generally are based upon specimen specific computed tomography (CT) data. This approach has traditionally required segmentation of CT data sets, which is time consuming and necessitates high levels of user intervention due to the complex pelvic anatomy. The purpose of this research was to develop and assess CT landmark-based semi-automated mesh morphing and mapping techniques to aid the generation and mechanical analysis of specimen-specific FE models of the pelvis without the need for segmentation. A specimen-specific pelvic FE model (source) was created using traditional segmentation methods and morphed onto a CT scan of a different (target) pelvis using a landmark-based method. The morphed model was then refined through mesh mapping by moving the nodes to the bone boundary. A second target model was created using traditional segmentation techniques. CT intensity based material properties were assigned to the morphed/mapped model and to the traditionally segmented target models. Models were analyzed to evaluate their geometric concurrency and strain patterns. Strains generated in a double-leg stance configuration were compared to experimental strain gauge data generated from the same target cadaver pelvis. CT landmark-based morphing and mapping techniques were efficiently applied to create a geometrically multifaceted specimen-specific pelvic FE model, which was similar to the traditionally segmented target model and better replicated the experimental strain results (R(2)=0.873). This study has shown that mesh morphing and mapping represents an efficient validated approach for pelvic FE model generation without the need for segmentation. Copyright © 2015 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23040563','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23040563"><span>Transformation impacts of dissolved and solid phase Fe(II) on trichloroethylene (TCE) reduction in an iron-reducing bacteria (IRB) mixed column system: a mathematical model.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Bae, Yeunook; Kim, Dooil; Cho, Hyun-Hee; Singhal, Naresh; Park, Jae-Woo</p> <p>2012-12-01</p> <p>In this research, we conducted trichloroethylene (TCE) reduction in a column filled with iron and iron-reducing bacteria (IRB) and developed a mathematical model to investigate the critical reactions between active species in iron/IRB/contaminant systems. The formation of ferrous iron (Fe(II)) in this system with IRB and zero-valent iron (ZVI, Fe(0)) coated with a ferric iron (Fe(III)) crust significantly affected TCE reduction and IRB respiration in various ways. This study presents a new framework for transformation property and reducing ability of both dissolved (Fe(II)(dissolved)) and solid form ferrous iron (Fe(II)(solid)). Results showed that TCE reduction was strongly depressed by Fe(II)(solid) rather than by other inhibitors (e.g., Fe(III) and lactate), suggesting that Fe(II)(solid) might reduce IRB activation due to attachment to IRB cells. Newly exposed Fe(0) from the released Fe(II)(dissolved) was a strong contributor to TCE reduction compared to Fe(II)(solid). In addition, our research confirmed that less Fe(II)(solid) production strongly supported long-term TCE reduction because it may create an easier TCE approach to Fe(0) or increase IRB growth. Our findings will aid the understanding of the contributions of iron media (e.g., Fe(II)(solid), Fe(II)(dissolved), Fe(III), and Fe(0)) to IRB for decontamination in natural groundwater systems. Copyright © 2012 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1991JAP....69.5817P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1991JAP....69.5817P"><span>A strong pinning model for the coercivity of die-upset Pr-Fe-B magnets</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pinkerton, F. E.; fürst, C. D.</p> <p>1991-04-01</p> <p>We have measured the temperature dependence of the intrinsic coercivity Hci(T) between 5 and 565 K in a die-upset Pr-Fe-B magnet. Over a very wide temperature range up to 477 K, Hci(T) is in excellent agreement with a model for strong domain-wall pinning by a random array of pinning sites proposed by Gaunt [P. Gaunt, Philos. Mag. B 48, 261 (1983)]. The model includes both the temperature dependence of the intrinsic magnetic properties of the Pr2Fe14B phase and the effects of thermal activation of domain walls over the pinning barrier. The pinning sites are modeled as nonmagnetic planar inhomogeneities at the boundaries between platelet-shaped Pr2Fe14B grains. We develop an expression for the maximum pinning force per site, f, and derive the model prediction that (Hci/γHA)1/2 varies linearly with (T/γ)2/3, where HA and γ are the magnetocrystalline anisotropy field and the domain-wall energy per unit area of the Pr2Fe14B phase, respectively. Significant deviations from the model are observed only at high temperature, suggesting that the strong pinning model is no longer valid very close to the Curie temperature (565 K). The present result agrees with the model fit obtained for a die-upset Nd-Fe-B magnet.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27562611','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27562611"><span>Binder-jetting 3D printing and alloy development of new biodegradable Fe-Mn-Ca/Mg alloys.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hong, Daeho; Chou, Da-Tren; Velikokhatnyi, Oleg I; Roy, Abhijit; Lee, Boeun; Swink, Isaac; Issaev, Ilona; Kuhn, Howard A; Kumta, Prashant N</p> <p>2016-11-01</p> <p>3D printing of various biomaterials including titanium and stainless steel has been studied for treating patients with cranio-maxillofacial bone defect. The potential long term complications with use of inert biometals have opened the opportunities for use of biodegradable metals in the clinical arena. The authors previously reported that binder-jet 3D printing technique enhanced the degradation rates of biodegradable Fe-Mn alloy by creating engineered micropores rendering the system attractive as biodegradable implantable devices. In the present study, the authors employed CALPHAD modeling to systematically study and modify the Fe-Mn alloy composition to achieve enhanced degradation rates. Accordingly, Ca and Mg addition to Fe-35wt% Mn solid solution predicted increase in degradation rates. In order to validate the CALPHAD results, Fe - (35-y)wt% Mn - ywt% X (X=Ca, Mg, and y=0, 1, 2) were synthesized by using high energy mechanical alloying (HEMA). Sintered pellets of Fe-Mn-Ca and Fe-Mn-Mg were then subjected to potentiodynamic polarization (PDP) and live/dead cell viability tests. Sintered pellets of Fe-Mn, Fe-Mn-Ca, and Fe-Mn-Mg also exhibited MC3T3 murine pre-osteoblast cells viability in the live/dead assay results. Fe-Mn and Fe-Mn-1Ca were thus accordingly selected for 3D printing and the results further confirmed enhanced degradation of Ca addition to 3D printed constructs validating the theoretical and alloy development studies. Live/dead and MTT cell viability results also confirmed good cytocompatibility of the 3D-printed Fe-Mn and Fe-Mn-1Ca constructs. Bone grafting is widely used for the treatment of cranio-maxillofacial bone injuries. 3D printing of biodegradable Fe alloy is anticipated to be advantageous over current bone grafting techniques. 3D printing offers the fabrication of precise and tailored bone grafts to fit the patient specific bone defect needs. Biodegradable Fe alloy is a good candidate for 3D printing synthetic grafts to regenerate bone tissue without eliciting complications. CALPHAD theoretical models were used to develop new Fe-Mn-Ca/Mg alloys to enhance the degradation rates of traditional Fe-Mn alloys. In vitro experimental results also showed enhanced degradation rates and good cytocompatibility of sintered Fe-Mn-Ca/Mg compacts. 3D printing of Fe-Mn and Fe-Mn-1Ca alloys further demonstrated their feasibility as potentially viable bone grafts for the future. Copyright © 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2872168','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2872168"><span>Coupling of a 3D Finite Element Model of Cardiac Ventricular Mechanics to Lumped Systems Models of the Systemic and Pulmonic Circulation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Kerckhoffs, Roy C. P.; Neal, Maxwell L.; Gu, Quan; Bassingthwaighte, James B.; Omens, Jeff H.; McCulloch, Andrew D.</p> <p>2010-01-01</p> <p>In this study we present a novel, robust method to couple finite element (FE) models of cardiac mechanics to systems models of the circulation (CIRC), independent of cardiac phase. For each time step through a cardiac cycle, left and right ventricular pressures were calculated using ventricular compliances from the FE and CIRC models. These pressures served as boundary conditions in the FE and CIRC models. In succeeding steps, pressures were updated to minimize cavity volume error (FE minus CIRC volume) using Newton iterations. Coupling was achieved when a predefined criterion for the volume error was satisfied. Initial conditions for the multi-scale model were obtained by replacing the FE model with a varying elastance model, which takes into account direct ventricular interactions. Applying the coupling, a novel multi-scale model of the canine cardiovascular system was developed. Global hemodynamics and regional mechanics were calculated for multiple beats in two separate simulations with a left ventricular ischemic region and pulmonary artery constriction, respectively. After the interventions, global hemodynamics changed due to direct and indirect ventricular interactions, in agreement with previously published experimental results. The coupling method allows for simulations of multiple cardiac cycles for normal and pathophysiology, encompassing levels from cell to system. PMID:17111210</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/15320466','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/15320466"><span>Single-trabecula building block for large-scale finite element models of cancellous bone.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Dagan, D; Be'ery, M; Gefen, A</p> <p>2004-07-01</p> <p>Recent development of high-resolution imaging of cancellous bone allows finite element (FE) analysis of bone tissue stresses and strains in individual trabeculae. However, specimen-specific stress/strain analyses can include effects of anatomical variations and local damage that can bias the interpretation of the results from individual specimens with respect to large populations. This study developed a standard (generic) 'building-block' of a trabecula for large-scale FE models. Being parametric and based on statistics of dimensions of ovine trabeculae, this building block can be scaled for trabecular thickness and length and be used in commercial or custom-made FE codes to construct generic, large-scale FE models of bone, using less computer power than that currently required to reproduce the accurate micro-architecture of trabecular bone. Orthogonal lattices constructed with this building block, after it was scaled to trabeculae of the human proximal femur, provided apparent elastic moduli of approximately 150 MPa, in good agreement with experimental data for the stiffness of cancellous bone from this site. Likewise, lattices with thinner, osteoporotic-like trabeculae could predict a reduction of approximately 30% in the apparent elastic modulus, as reported in experimental studies of osteoporotic femora. Based on these comparisons, it is concluded that the single-trabecula element developed in the present study is well-suited for representing cancellous bone in large-scale generic FE simulations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2003AGUFM.B42C..01R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2003AGUFM.B42C..01R"><span>Thermodynamic Versus Surface Area Control of Microbial Fe(III) Oxide Reduction Kinetics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Roden, E. E.</p> <p>2003-12-01</p> <p>Recent experimental studies of synthetic and natural Fe(III) oxide reduction permit development of conceptual and quantitative models of enzymatic Fe(III) oxide reduction at circumneutral pH that can be compared to and contrasted with established models of abiotic mineral dissolution. The findings collectively support a model for controls on enzymatic reduction that differs fundamentally from those applied to abiotic reductive dissolution as a result of two basic phenomena: (1) the relatively minor influence of oxide mineralogical and thermodynamic properties on surface area-normalized rates of enzymatic reduction compared to abiotic reductive dissolution; and (2) the major limitation which sorption and/or surface precipitation of biogenic Fe(II) on residual oxide and Fe(III)-reducing bacterial cell surfaces poses to enzymatic electron transfer in the presence of excess electron donor. Parallel studies with two major Fe(III)-reducing bacteria genera (Shewanella and Geobacter) lead to common conclusions regarding the importance of these phenomena in regulating the rate and long-term extent of Fe(III) oxide reduction. Although the extent to which these phenomena can be traced to underlying kinetic vs. thermodynamic effects cannot be resolved with current information, models in which rates of enzymatic reduction are limited kinetically by the abundance of "available" oxide surface sites (as controlled by oxide surface area and the abundance of surface-bound Fe(II)) provide an adequate macroscopic description of controls on the initial rate and long-term extent of oxide reduction. In some instances, thermodynamic limitation posed by the accumulation of aqueous reaction end-products (i.e. Fe(II) and alkalinity) must also be invoked to explain observed long-term patterns of reduction. In addition, the abundance of Fe(III)-reducing microorganisms plays an important role in governing rates of reduction and needs to be considered in models of Fe(III) reduction in nonsteady-state systems, e.g. subsurface environments in which Fe(III) reduction is stimulated by contamination with organics or for the purposes of metal/radionuclide bioremediation.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_1");'>1</a></li> <li><a href="#" onclick='return showDiv("page_2");'>2</a></li> <li class="active"><span>3</span></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_3 --> <div id="page_4" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_2");'>2</a></li> <li><a href="#" onclick='return showDiv("page_3");'>3</a></li> <li class="active"><span>4</span></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="61"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhDT........67F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhDT........67F"><span>A Thermo-Poromechanics Finite Element Model for Predicting Arterial Tissue Fusion</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Fankell, Douglas P.</p> <p></p> <p>This work provides modeling efforts and supplemental experimental work performed towards the ultimate goal of modeling heat transfer, mass transfer, and deformation occurring in biological tissue, in particular during arterial fusion and cutting. Developing accurate models of these processes accomplishes two goals. First, accurate models would enable engineers to design devices to be safer and less expensive. Second, the mechanisms behind tissue fusion and cutting are widely unknown; models with the ability to accurately predict physical phenomena occurring in the tissue will allow for insight into the underlying mechanisms of the processes. This work presents three aims and the efforts in achieving them, leading to an accurate model of tissue fusion and more broadly the thermo-poromechanics (TPM) occurring within biological tissue. Chapters 1 and 2 provide the motivation for developing accurate TPM models of biological tissue and an overview of previous modeling efforts. In Chapter 3, a coupled thermo-structural finite element (FE) model with the ability to predict arterial cutting is offered. From the work presented in Chapter 3, it became obvious a more detailed model was needed. Chapter 4 meets this need by presenting small strain TPM theory and its implementation in an FE code. The model is then used to simulate thermal tissue fusion. These simulations show the model's promise in predicting the water content and temperature of arterial wall tissue during the fusion process, but it is limited by its small deformation assumptions. Chapters 5-7 attempt to address this limitation by developing and implementing a large deformation TPM FE model. Chapters 5, 6, and 7 present a thermodynamically consistent, large deformation TPM FE model and its ability to simulate tissue fusion. Ultimately, this work provides several methods of simulating arterial tissue fusion and the thermo-poromechanics of biological tissue. It is the first work, to the author's knowledge, to simulate the fully coupled TPM of biological tissue and the first to present a fully coupled large deformation TPM FE model. In doing so, a stepping stone for more advanced modeling of biological tissue has been laid.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JSV...422..112G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JSV...422..112G"><span>Dynamic model updating based on strain mode shape and natural frequency using hybrid pattern search technique</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Guo, Ning; Yang, Zhichun; Wang, Le; Ouyang, Yan; Zhang, Xinping</p> <p>2018-05-01</p> <p>Aiming at providing a precise dynamic structural finite element (FE) model for dynamic strength evaluation in addition to dynamic analysis. A dynamic FE model updating method is presented to correct the uncertain parameters of the FE model of a structure using strain mode shapes and natural frequencies. The strain mode shape, which is sensitive to local changes in structure, is used instead of the displacement mode for enhancing model updating. The coordinate strain modal assurance criterion is developed to evaluate the correlation level at each coordinate over the experimental and the analytical strain mode shapes. Moreover, the natural frequencies which provide the global information of the structure are used to guarantee the accuracy of modal properties of the global model. Then, the weighted summation of the natural frequency residual and the coordinate strain modal assurance criterion residual is used as the objective function in the proposed dynamic FE model updating procedure. The hybrid genetic/pattern-search optimization algorithm is adopted to perform the dynamic FE model updating procedure. Numerical simulation and model updating experiment for a clamped-clamped beam are performed to validate the feasibility and effectiveness of the present method. The results show that the proposed method can be used to update the uncertain parameters with good robustness. And the updated dynamic FE model of the beam structure, which can correctly predict both the natural frequencies and the local dynamic strains, is reliable for the following dynamic analysis and dynamic strength evaluation.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29528253','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29528253"><span>Morphing the feature-based multi-blocks of normative/healthy vertebral geometries to scoliosis vertebral geometries: development of personalized finite element models.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hadagali, Prasannaah; Peters, James R; Balasubramanian, Sriram</p> <p>2018-03-01</p> <p>Personalized Finite Element (FE) models and hexahedral elements are preferred for biomechanical investigations. Feature-based multi-block methods are used to develop anatomically accurate personalized FE models with hexahedral mesh. It is tedious to manually construct multi-blocks for large number of geometries on an individual basis to develop personalized FE models. Mesh-morphing method mitigates the aforementioned tediousness in meshing personalized geometries every time, but leads to element warping and loss of geometrical data. Such issues increase in magnitude when normative spine FE model is morphed to scoliosis-affected spinal geometry. The only way to bypass the issue of hex-mesh distortion or loss of geometry as a result of morphing is to rely on manually constructing the multi-blocks for scoliosis-affected spine geometry of each individual, which is time intensive. A method to semi-automate the construction of multi-blocks on the geometry of scoliosis vertebrae from the existing multi-blocks of normative vertebrae is demonstrated in this paper. High-quality hexahedral elements were generated on the scoliosis vertebrae from the morphed multi-blocks of normative vertebrae. Time taken was 3 months to construct the multi-blocks for normative spine and less than a day for scoliosis. Efforts taken to construct multi-blocks on personalized scoliosis spinal geometries are significantly reduced by morphing existing multi-blocks.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014EGUGA..16.4186L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014EGUGA..16.4186L"><span>Coupled cycling of Fe and organic carbon in submarine hydrothermal systems: Modelling approach</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Legendre, Louis; German, Christopher R.; Sander, Sylvia G.; Niquil, Nathalie</p> <p>2014-05-01</p> <p>It has been recently proposed that hydrothermal plumes may be a significant source of dissolved Fe to the oceans. In order to assess this proposal, we investigated the fate of dissolved Fe released from hydrothermal systems to the overlying ocean using an approach that combined modelling and field values. We based our work on a consensus conceptual model developed by members of SCOR-InterRidge Working Group 135. The model was both complex enough to capture the main processes of dissolved Fe released from hydrothermal systems and chemical transformation in the hydrothermal plume, and simple enough to be parameterized with existing field data. It included the following flows: Fe, water and heat in the high temperature vent fluids, in the fluids diffusing around the vent, and in the entrained seawater in the buoyant plume; Fe precipitation in polymetallic sulphides near the vent; transport of Fe in the non-buoyant plume, and both its precipitation in particles onto the sea bottom away from the vent and dissolution into deep-sea waters. In other words, there were three Fe input flows into the buoyant hydrothermal plume (vent-fluids; entrained diffuse flow; entrained seawater) and three Fe output flows (sedimentation from the buoyant plume as polymetallic sulfides; sedimentation from the non-buoyant plume in particulate form; export to the deep ocean in dissolved or nanoparticulate form). The output flows balanced the input flows. We transformed the conceptual model into equations, and parameterized these with field data. To do so, we assumed that all hydrothermal systems, globally, can be represented by the circumstances that prevail at the EPR 9°50'N hydrothermal field, although we knew this assumption not to be accurate. We nevertheless achieved, by following this approach, two important goals, i.e. we could assemble into a coherent framework, for the first time, several discrete data sets acquired independently over decades of field work, and we could obtain model results that were consistent with recent field observations. We used our model to explore scenarios of Fe emissions and transformations under various constraints. The modelling exercises indicated that the provision of significant amounts of dissolved Fe to the oceans by hydrothermal plumes was consistent with realistic model parameters. This supported the proposition that hydrothermal systems play significant roles in the global biogeochemical Fe cycle.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JPSJ...84i3703H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JPSJ...84i3703H"><span>Ab initio Studies of Magnetism in the Iron Chalcogenides FeTe and FeSe</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Hirayama, Motoaki; Misawa, Takahiro; Miyake, Takashi; Imada, Masatoshi</p> <p>2015-09-01</p> <p>The iron chalcogenides FeTe and FeSe belong to the family of iron-based superconductors. We study the magnetism in these compounds in the normal state using the ab initio downfolding scheme developed for strongly correlated electron systems. In deriving ab initio low-energy effective models, we employ the constrained GW method to eliminate the double counting of electron correlations originating from the exchange correlations already taken into account in the density functional theory. By solving the derived ab initio effective models, we reveal that the elimination of the double counting is important in reproducing the bicollinear antiferromagnetic order in FeTe, as is observed in experiments. We also show that the elimination of the double counting induces a unique degeneracy of several magnetic orders in FeSe, which may explain the absence of the magnetic ordering. We discuss the relationship between the degeneracy and the recently found puzzling phenomena in FeSe as well as the magnetic ordering found under pressure.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28060298','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28060298"><span>Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zhou, Du; Yuan, Xi; Gao, Haoxiang; Wang, Ailing; Liu, Jun; El Fakir, Omer; Politis, Denis J; Wang, Liliang; Lin, Jianguo</p> <p>2016-12-13</p> <p>The use of Finite Element (FE) simulation software to adequately predict the outcome of sheet metal forming processes is crucial to enhancing the efficiency and lowering the development time of such processes, whilst reducing costs involved in trial-and-error prototyping. Recent focus on the substitution of steel components with aluminum alloy alternatives in the automotive and aerospace sectors has increased the need to simulate the forming behavior of such alloys for ever more complex component geometries. However these alloys, and in particular their high strength variants, exhibit limited formability at room temperature, and high temperature manufacturing technologies have been developed to form them. Consequently, advanced constitutive models are required to reflect the associated temperature and strain rate effects. Simulating such behavior is computationally very expensive using conventional FE simulation techniques. This paper presents a novel Knowledge Based Cloud FE (KBC-FE) simulation technique that combines advanced material and friction models with conventional FE simulations in an efficient manner thus enhancing the capability of commercial simulation software packages. The application of these methods is demonstrated through two example case studies, namely: the prediction of a material's forming limit under hot stamping conditions, and the tool life prediction under multi-cycle loading conditions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5226393','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5226393"><span>Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Zhou, Du; Yuan, Xi; Gao, Haoxiang; Wang, Ailing; Liu, Jun; El Fakir, Omer; Politis, Denis J.; Wang, Liliang; Lin, Jianguo</p> <p>2016-01-01</p> <p>The use of Finite Element (FE) simulation software to adequately predict the outcome of sheet metal forming processes is crucial to enhancing the efficiency and lowering the development time of such processes, whilst reducing costs involved in trial-and-error prototyping. Recent focus on the substitution of steel components with aluminum alloy alternatives in the automotive and aerospace sectors has increased the need to simulate the forming behavior of such alloys for ever more complex component geometries. However these alloys, and in particular their high strength variants, exhibit limited formability at room temperature, and high temperature manufacturing technologies have been developed to form them. Consequently, advanced constitutive models are required to reflect the associated temperature and strain rate effects. Simulating such behavior is computationally very expensive using conventional FE simulation techniques. This paper presents a novel Knowledge Based Cloud FE (KBC-FE) simulation technique that combines advanced material and friction models with conventional FE simulations in an efficient manner thus enhancing the capability of commercial simulation software packages. The application of these methods is demonstrated through two example case studies, namely: the prediction of a material's forming limit under hot stamping conditions, and the tool life prediction under multi-cycle loading conditions. PMID:28060298</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2005JMPSo..53.2692C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2005JMPSo..53.2692C"><span>Damage percolation during stretch flange forming of aluminum alloy sheet</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chen, Zengtao; Worswick, Michael J.; Keith Pilkey, A.; Lloyd, David J.</p> <p>2005-12-01</p> <p>A multi-scale finite element (FE)-damage percolation model was employed to simulate stretch flange forming of aluminum alloys AA5182 and AA5754. Material softening and strain gradients were captured using a Gurson-based FE model. FE results were then fed into the so-called damage percolation code, from which the damage development was modelled within measured microstructures. The formability of the stretch flange samples was predicted based upon the onset of catastrophic failure triggered by profuse void coalescence within the measured second-phase particle field. Damage development is quantified in terms of crack and void areal fractions, and compared to metallographic results obtained from interrupted stretch flange specimens. Parametric study is conducted on the effect of void nucleation strain in the prediction of formability of stretch flanges to "calibrate" proper nucleation strains for both alloys.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007JSV...301..126Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007JSV...301..126Z"><span>Finite element modelling and updating of a lively footbridge: The complete process</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Živanović, Stana; Pavic, Aleksandar; Reynolds, Paul</p> <p>2007-03-01</p> <p>The finite element (FE) model updating technology was originally developed in the aerospace and mechanical engineering disciplines to automatically update numerical models of structures to match their experimentally measured counterparts. The process of updating identifies the drawbacks in the FE modelling and the updated FE model could be used to produce more reliable results in further dynamic analysis. In the last decade, the updating technology has been introduced into civil structural engineering. It can serve as an advanced tool for getting reliable modal properties of large structures. The updating process has four key phases: initial FE modelling, modal testing, manual model tuning and automatic updating (conducted using specialist software). However, the published literature does not connect well these phases, although this is crucial when implementing the updating technology. This paper therefore aims to clarify the importance of this linking and to describe the complete model updating process as applicable in civil structural engineering. The complete process consisting the four phases is outlined and brief theory is presented as appropriate. Then, the procedure is implemented on a lively steel box girder footbridge. It was found that even a very detailed initial FE model underestimated the natural frequencies of all seven experimentally identified modes of vibration, with the maximum error being almost 30%. Manual FE model tuning by trial and error found that flexible supports in the longitudinal direction should be introduced at the girder ends to improve correlation between the measured and FE-calculated modes. This significantly reduced the maximum frequency error to only 4%. It was demonstrated that only then could the FE model be automatically updated in a meaningful way. The automatic updating was successfully conducted by updating 22 uncertain structural parameters. Finally, a physical interpretation of all parameter changes is discussed. This interpretation is often missing in the published literature. It was found that the composite slabs were less stiff than originally assumed and that the asphalt layer contributed considerably to the deck stiffness.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1351763','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1351763"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Field, Kevin G.; Briggs, Samuel A.; Sridharan, Kumar</p> <p></p> <p>The development and understanding of the mechanical properties of neutron-irradiated FeCrAl alloys is increasingly a critical need as these alloys continue to become more mature for nuclear reactor applications. This study focuses on the mechanical properties of model FeCrAl alloys and of a commercial FeCrAl alloy neutron-irradiated to up to 13.8 displacements per atom (dpa) at irradiation temperatures between 320 and 382 °C. Tensile tests were completed at room temperature and at 320 °C, and a subset of fractured tensile specimens was examined by scanning electron microscopy. Results showed typical radiation hardening and embrittlement indicative of high chromium ferritic alloysmore » with strong chromium composition dependencies at lower doses. At and above 7.0 dpa, the mechanical properties saturated for both the commercial and model FeCrAl alloys, although brittle cleavage fracture was observed at the highest dose in the model FeCrAl alloy with the highest chromium content (18 wt %). Finally, the results suggest the composition and microstructure of FeCrAl alloys plays a critical role in the mechanical response of FeCrAl alloys irradiated near temperatures relevant to light water reactors.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/18842338','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/18842338"><span>On the validity of specific rate constants (kSA) in Fe0/H2O systems.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Noubactep, C</p> <p>2009-05-30</p> <p>The validity of the specific reaction rate constants (k(SA)) in modelling contaminant removal in Fe(0)/H(2)O systems is questioned. It is shown that the current k(SA)-model does not consider the large reactive surface area provided by the in-situ formed oxide film, and thus the adsorptive interactions between contaminants and film materials. Furthermore, neither the dynamic nature of film formation nor the fact that the Fe(0) surface is shielded by the film is considered. Suggestions are made how the k(SA)-model could be further developed to meet its original goal.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3932819','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3932819"><span>Lack of synchronization between iron uptake and cell growth leads to iron overload in Saccharomyces cerevisiae during post-exponential growth modes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Park, Jinkyu; McCormick, Sean P.; Chakrabarti, Mrinmoy; Lindahl, Paul A.</p> <p>2014-01-01</p> <p>Fermenting cells growing exponentially on rich (YPAD) medium transitioned to a slow-growing state as glucose levels declined and their metabolism shifted to respiration. During exponential growth, Fe import and cell growth rates were matched, affording an approximately invariant cellular Fe concentration. During the transitionary period, the high-affinity Fe import rate declined slower than the cell growth rate declined, causing Fe to accumulate, initially as FeIII oxyhydroxide nanoparticles but eventually as mitochondrial and vacuolar Fe. Once in slow-growth mode, Fe import and cell growth rates were again matched, and the cellular Fe concentration was again approximately invariant. Fermenting cells grown on minimal medium (MM) grew more slowly during exponential phase and transitioned to a true stationary state as glucose levels declined. The Fe concentration of MM cells that just entered stationary state was similar to that of YPAD cells, but MM cells continued to accumulate Fe in stationary state. Fe initially accumulated as nanoparticles and high-spin FeII species, but vacuolar FeIII also eventually accumulated. Surprisingly, Fe-packed 5-day-old MM cells suffered no more ROS damage than younger cells, suggesting that Fe concentration alone does not accurately predict the extent of ROS damage. The mode and rate of growth at the time of harvesting dramatically affected cellular Fe content. A mathematical model of Fe metabolism in a growing cell was developed. The model included Fe import via a regulated high-affinity pathway and an unregulated low-affinity pathway. Fe import from the cytosol into vacuoles and mitochondria, and nanoparticle formation were also included. The model captured essential trafficking behavior, demonstrating that cells regulate Fe import in accordance with their overall growth rate and that they misregulate Fe import when nanoparticles accumulate. The lack of regulation of Fe in yeast is perhaps unique compared to the tight regulation of other cellular metabolites. This phenomenon likely derives from the unique chemistry associated with Fe nanoparticle formation. PMID:24344915</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016NatSR...619742T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016NatSR...619742T"><span>Molecular evolution of gas cavity in [NiFeSe] hydrogenases resurrected in silico</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tamura, Takashi; Tsunekawa, Naoki; Nemoto, Michiko; Inagaki, Kenji; Hirano, Toshiyuki; Sato, Fumitoshi</p> <p>2016-01-01</p> <p>Oxygen tolerance of selenium-containing [NiFeSe] hydrogenases (Hases) is attributable to the high reducing power of the selenocysteine residue, which sustains the bimetallic Ni-Fe catalytic center in the large subunit. Genes encoding [NiFeSe] Hases are inherited by few sulphate-reducing δ-proteobacteria globally distributed under various anoxic conditions. Ancestral sequences of [NiFeSe] Hases were elucidated and their three-dimensional structures were recreated in silico using homology modelling and molecular dynamic simulation, which suggested that deep gas channels gradually developed in [NiFeSe] Hases under absolute anaerobic conditions, whereas the enzyme remained as a sealed edifice under environmental conditions of a higher oxygen exposure risk. The development of a gas cavity appears to be driven by non-synonymous mutations, which cause subtle conformational changes locally and distantly, even including highly conserved sequence regions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20140003289','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20140003289"><span>Evaluation of Human and Anthropomorphic Test Device Finite Element Models under Spaceflight Loading Conditions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Putnam, Jacob P.; Untaroiu, Costin; Somers. Jeffrey</p> <p>2014-01-01</p> <p>In an effort to develop occupant protection standards for future multipurpose crew vehicles, the National Aeronautics and Space Administration (NASA) has looked to evaluate the test device for human occupant restraint with the modification kit (THOR-K) anthropomorphic test device (ATD) in relevant impact test scenarios. With the allowance and support of the National Highway Traffic Safety Administration, NASA has performed a series of sled impact tests on the latest developed THOR-K ATD. These tests were performed to match test conditions from human volunteer data previously collected by the U.S. Air Force. The objective of this study was to evaluate the THOR-K finite element (FE) model and the Total HUman Model for Safety (THUMS) FE model with respect to the tests performed. These models were evaluated in spinal and frontal impacts against kinematic and kinetic data recorded in ATD and human testing. Methods: The FE simulations were developed based on recorded pretest ATD/human position and sled acceleration pulses measured during testing. Predicted responses by both human and ATD models were compared to test data recorded under the same impact conditions. The kinematic responses of the models were quantitatively evaluated using the ISO-metric curve rating system. In addition, ATD injury criteria and human stress/strain data were calculated to evaluate the risk of injury predicted by the ATD and human model, respectively. Results: Preliminary results show well-correlated response between both FE models and their physical counterparts. In addition, predicted ATD injury criteria and human model stress/strain values are shown to positively relate. Kinematic comparison between human and ATD models indicates promising biofidelic response, although a slightly stiffer response is observed within the ATD. Conclusion: As a compliment to ATD testing, numerical simulation provides efficient means to assess vehicle safety throughout the design process and further improve the design of physical ATDs. The assessment of the THOR-K and THUMS FE models in a spaceflight testing condition is an essential first step to implementing these models in the computational evaluation of spacecraft occupant safety. Promising results suggest future use of these models in the aerospace field.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/5775218-model-formation-earth-core','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/5775218-model-formation-earth-core"><span>Model for the formation of the earth's core</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>McCammon, C.A.; Ringwood, A.E.; Jackson, I.</p> <p>1983-02-15</p> <p>The recent discovery of a phase transformation in Fe/sub 0.94/O by Jeanloz and Ahrens has allowed a more detailed development of a model for core formation involving oxygen as the principal light alloying element in the core. It is predicted, based on calculations, that an increasing pressure in the system FeO-MgO will result in a gradual exsolution of an almost pure high-pressure phase FeO(hpp), leaving an iron-depleted (Fe,Mg)O rocksalt (B1) phase. We also predict that FeO(hhp) will form a low-melting point alloy with Fe at high temperature and high pressure. On the basis of our interpretations, we have constructed amore » model for core segregation. Assuming the earth to have accreted from the primordial solar nebula as a relatively homogeneous mixture of metallic iron and silicate-oxide phases, core segregation involving oxygen would commence at a depth where pressure is sufficiently high to cause exsolution of FeO(hpp) from the rocksalt phase, and temperature is sufficiently high to allow formation of an Fe-FeO(hpp) melt. A gravitational instability arises, leading to vertical differentiation of the earth as molten blobs of the metal sink downwards to form the core and the residual depleted silicate material coalesces to form large bodies which rise diapirically upwards to form the mantle.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017EGUGA..1911828R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017EGUGA..1911828R"><span>Quantifying reactive transport processes governing arsenic mobility in a Bengal Delta aquifer</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rawson, Joey; Neidhardt, Harald; Siade, Adam; Berg, Michael; Prommer, Henning</p> <p>2017-04-01</p> <p>Over the last few decades significant progress has been made to characterize the extent and severity of groundwater arsenic pollution in S/SE Asia, and to understand the underlying geochemical processes. However, comparably little effort has been made to merge the findings from this research into quantitative frameworks that allow for a process-based quantitative analysis of observed arsenic behavior and predictions of its future fate. Therefore, this study developed and tested field-scale numerical modelling approaches to represent the primary and secondary geochemical processes associated with the reductive dissolution of Fe-oxy(hydr)oxides and the concomitant release of sorbed arsenic. We employed data from an in situ field experiment in the Bengal Delta Plain, which investigated the influence of labile organic matter (sucrose) on the mobility of Fe, Mn, and As. The data collected during the field experiment were used to guide our model development and to constrain the model parameterisation. Our results show that sucrose oxidation coupled to the reductive dissolution of Fe-oxy(hydr)oxides was accompanied by multiple secondary geochemical reactions that are not easily and uniquely identifiable and quantifiable. Those secondary reactions can explain the disparity between the observed Fe and As behavior. Our modelling results suggest that a significant fraction of the released As is scavenged through (co-)precipitation with newly formed Fe-minerals, specifically magnetite, rather than through sorption to pre-existing and freshly precipitated iron minerals.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016MSSP...70..725S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016MSSP...70..725S"><span>Behavior of Industrial Steel Rack Connections</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Shah, S. N. R.; Ramli Sulong, N. H.; Khan, R.; Jumaat, M. Z.; Shariati, M.</p> <p>2016-03-01</p> <p>Beam-to-column connections (BCCs) used in steel pallet racks (SPRs) play a significant role to maintain the stability of rack structures in the down-aisle direction. The variety in the geometry of commercially available beam end connectors hampers the development of a generalized analytic design approach for SPR BCCs. The experimental prediction of flexibility in SPR BCCs is prohibitively expensive and difficult for all types of commercially available beam end connectors. A suitable solution to derive a particular uniform M-θ relationship for each connection type in terms of geometric parameters may be achieved through finite element (FE) modeling. This study first presents a comprehensive description of the experimental investigations that were performed and used as the calibration bases for the numerical study that constituted its main contribution. A three dimensioned (3D) non-linear finite element (FE) model was developed and calibrated against the experimental results. The FE model took into account material nonlinearities, geometrical properties and large displacements. Comparisons between numerical and experimental data for observed failure modes and M-θ relationship showed close agreement. The validated FE model was further extended to perform parametric analysis to identify the effects of various parameters which may affect the overall performance of the connection.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014AGUFM.B13J..05I','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014AGUFM.B13J..05I"><span>Linking Microbial Dynamics and Physicochemical Processes in High-temperature Acidic Fe(III)- Mineralizing Systems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Inskeep, W.</p> <p>2014-12-01</p> <p>Microbial activity is responsible for the mineralization of Fe(III)-oxides in high-temperature chemotrophic communities that flourish within oxygenated zones of low pH (2.5 - 4) geothermal outflow channels (Yellowstone National Park, WY). High-temperature Fe(II)-oxidizing communities contain several lineages of Archaea, and are excellent model systems for studying microbial interactions and spatiotemporal dynamics across geochemical gradients. We hypothesize that acidic Fe(III)-oxide mats form as a result of constant interaction among primary colonizers including Hydrogenobaculum spp. (Aquificales) and Metallosphaera spp. (Sulfolobales), and subsequent colonization by archaeal heterotrophs, which vary in abundance as a function of oxygen, pH and temperature. We are integrating a complementary suite of geochemical, stable isotope, genomic, proteomic and modeling analyses to study the role of microorganisms in Fe(III)-oxide mat development, and to elucidate the primary microbial interactions that are coupled with key abiotic events. Curated de novo assemblies of major phylotypes are being used to analyze additional -omics datasets from these microbial mats. Hydrogenobaculum spp. (Aquificales) are the dominant bacterial population(s) present, and predominate during early mat development (< 30 d). Other Sulfolobales populations known to oxidize Fe(II) and fix carbon dioxide (e.g., Metallosphaera spp.) represent a secondary stage of mat development (e.g., 14 - 30 d). Hydrogenobaculum filaments appear to promote the nucleation and subsequent mineralization of Fe(III)-oxides, which likely affect the growth and turnover rates of these organisms. Other heterotrophs colonize Fe(III)-oxide mats during succession (> 30 d), including novel lineages of Archaea and representatives within the Crenarchaeota, Euryarchaeota, Thaumarchaeota and Nanoarchaeota. In situ oxygen consumption rates show that steep gradients occur within the top 1 mm of mat surface, and which correlate with changes in the abundance of different organisms that occupy these microenvironments. The relative consumption of oxygen by different members of Fe(II)-oxidizing mat communities has implications for autotroph-heterotroph associations and the dynamic micromorphology of active Fe(III)-oxide terraces.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014PhDT........41Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014PhDT........41Z"><span>Phase-field model simulation of ferroelectric/antiferroelectric materials microstructure evolution under multiphysics loading</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhang, Jingyi</p> <p></p> <p>Ferroelectric (FE) and closely related antiferroelectric (AFE) materials have unique electromechanical properties that promote various applications in the area of capacitors, sensors, generators (FE) and high density energy storage (AFE). These smart materials with extensive applications have drawn wide interest in the industrial and scientific world because of their reliability and tunable property. However, reliability issues changes its paradigms and requires guidance from detailed mechanism theory as the materials applications are pushed for better performance. A host of modeling work were dedicated to study the macro-structural behavior and microstructural evolution in FE and AFE material under various conditions. This thesis is focused on direct observation of domain evolution under multiphysics loading for both FE and AFE material. Landau-Devonshire time-dependent phase field models were built for both materials, and were simulated in finite element software Comsol. In FE model, dagger-shape 90 degree switched domain was observed at preexisting crack tip under pure mechanical loading. Polycrystal structure was tested under same condition, and blocking effect of the growth of dagger-shape switched domain from grain orientation difference and/or grain boundary was directly observed. AFE ceramic model was developed using two sublattice theory, this model was used to investigate the mechanism of energy efficiency increase with self-confined loading in experimental tests. Consistent results was found in simulation and careful investigation of calculation results gave confirmation that origin of energy density increase is from three aspects: self-confinement induced inner compression field as the cause of increase of critical field, fringe leak as the source of elevated saturation polarization and uneven defects distribution as the reason for critical field shifting and phase transition speed. Another important affecting aspect in polycrystalline materials is the texture of material, textured materials have better alignment and the alignment reorganization is associated with inelastic strain. We developed a vector field of alignment to describe texture degree and introduced the alignment vector into our FE and AFE model. The model with alignment field gave quantatively results for the well-recognized irreversible strain in AFE virgin ceramics during the first poling process. The texture field also shows a shielding zone under mechanical loading around existing crack tip. In conclusion, this thesis developed working models of FE and AFE material and systematically studied their behavior under multiphysics loading in a finite element analysis approach. Materials structure of polycrystal materials including grain orientation, grain boundary, defects and materials texture were tested for their effect on hysteresis and switched domain growth. Detailed microstructure development in domain switching and alignment was directly observed in this simulation.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MolPh.115.2185A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MolPh.115.2185A"><span>Single metal catalysis: DFT and CAS modelling of species involved in the Fe cation assisted transformation of acetylene to benzene</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Altun, Zikri; Bleda, Erdi; Trindle, Carl</p> <p>2017-09-01</p> <p>Gas phase conversion of acetylene to benzene, assisted by a single metal cation such as Fe(+), Ru(+) and Rh(+), offers an attractive prospect for application of computational modelling techniques to catalytic processes. Gas phase processes are not complicated by environmental effects and the participation of a single metal atom is a significant simplification. Still the process is complex, owing to the possibility of several low-energy spin states and the abundance of alternative structures. By density functional theory modelling using recently developed models with range and dispersion corrections, we locate and characterise a number of extreme points on the FeC6H6(+) surface, some of which have not been described previously. These include eta-1, eta-2 and eta-3 complexes of Fe(+) with the C4H4 ring. We identify new FeC6H6(+) structures as well, which may be landmarks for the Fe(+)-catalysed production of benzene from acetylene. The Fe(+) benzene complex is the most stable species on the FeC6H6 cation surface. With the abundant energy of complexation available in the isolated gas phase species, detachment of the Fe(+) and production of benzene can be efficient. We address the issue raised by other investigators whether multi-configurational self-consistent field methods are essential to the proper description of these systems. We find that the relative energy of intrinsically multi-determinant doublets is strongly affected, but judge that the density functional theory (DFT) description provides more accurate estimates of energetics and a more plausible reaction path.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_2");'>2</a></li> <li><a href="#" onclick='return showDiv("page_3");'>3</a></li> <li class="active"><span>4</span></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_4 --> <div id="page_5" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_3");'>3</a></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li class="active"><span>5</span></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="81"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MMTB...48.1721K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MMTB...48.1721K"><span>Critical Evaluations and Thermodynamic Optimizations of the MnO-Mn2O3-SiO2 and FeO-Fe2O3-MnO-Mn2O3-SiO2 Systems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kang, Youn-Bae; Jung, In-Ho</p> <p>2017-06-01</p> <p>A critical evaluation and thermodynamic modeling for thermodynamic properties of all oxide phases and phase diagrams in the Fe-Mn-Si-O system (MnO-Mn2O3-SiO2 and FeO-Fe2O3-MnO-Mn2O3-SiO2 systems) are presented. Optimized Gibbs energy parameters for the thermodynamic models of the oxide phases were obtained which reproduce all available and reliable experimental data within error limits from 298 K (25°C) to above the liquidus temperatures at all compositions covering from known oxide phases, and oxygen partial pressure from metal saturation to 0.21 bar. The optimized thermodynamic properties and phase diagrams are believed to be the best estimates presently available. Slag (molten oxide) was modeled using the modified quasichemical model in the pair approximation. Olivine (Fe2SiO4-Mn2SiO4) was modeled using two-sublattice model in the framework of the compound energy formalism (CEF), while rhodonite (MnSiO3-FeSiO3) and braunite (Mn7SiO_{12} with excess Mn2O3) were modeled as simple Henrian solutions. It is shown that the already developed models and databases of two spinel phases (cubic- and tetragonal-(Fe, Mn)3O4) using CEF [Kang and Jung, J. Phys. Chem. Solids (2016), vol. 98, pp. 237-246] can successfully be integrated into a larger thermodynamic database to be used in practically important higher order system such as silicate. The database of the model parameters can be used along with a software for Gibbs energy minimization in order to calculate any type of phase diagram section and thermodynamic properties.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhDT........86Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhDT........86Z"><span>First-Principles Study of Thermodynamic and Magnetic Properties of Alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhuravlev, Ivan</p> <p></p> <p>The standard theoretical framework for predicting phase diagrams and other thermodynamic properties of alloys requires an adequate representation of the formation enthalpy. An important part of the formation enthalpy in size-mismatched alloys comes from atomic relaxations. The harmonic Kanzaki-Krivoglaz-Khachaturyan model of strain-induced interaction is generalized to concentrated size-mismatched alloys and adapted to first-principles calculations. The configuration dependence of both Kanzaki forces and force constants is represented by real-space cluster expansions that can be constructed based on the calculated forces. Developed configuration-dependent lattice deformation model is implemented for the fcc lattice and applied to Cu1-x Aux and Fe1-x Ptx alloys for concentrations x = 0.25, 0.5, and 0.75. The model is further adapted to concentration wave analysis and Monte Carlo. Good agreement with experiment is found for all systems except CuAu3 and FePt3. The structural and ordering energetics are studied in Au-Fe alloys by combining DFT calculations with effective Hamiltonian techniques: a cluster expansion with structural filters, and CLDM. The phase separation tendency in Au-Fe persists even if the fcc-bcc decomposition is suppressed. The relative stability of disordered bcc and fcc phases observed in nanoparticles is reproduced, but the fully ordered L10 AuFe, L12 Au3Fe, and L1 2 AuFe3 structures are unstable in DFT. Effects of magnetism on the chemical ordering are also discussed. Magnetocrystalline anisotropy is one of the key properties of a magnetic material. Understanding of its temperature and concentration dependence is a challenging theoretical problem with implications for the design of better materials for permanent magnets and other applications. The origins of the anomalous temperature dependence of magnetocrystalline anisotropy in (Fe 1-xCox)2B alloys are elucidated using first-principles calculations within the disordered local moment model. Excellent agreement with experimental data is obtained. Electronic structure calculations are used to examine the magnetic properties of Fe2P-based alloys and the mechanisms through which the Curie temperature and magnetocrystalline anisotropy can be optimized for specific applications. It is found that at elevated temperatures the magnetic interaction in pure Fe2P develops a pronounced two-dimensional character. Co-alloying of Fe2P with Co (or Ni) and Si is suggested as a strategy for maximizing the magnetocrystalline anisotropy above room temperature.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28574263','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28574263"><span>Time-Resolved Investigations of Heterobimetallic Cofactor Assembly in R2lox Reveal Distinct Mn/Fe Intermediates.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Miller, Effie K; Trivelas, Nicholas E; Maugeri, Pearson T; Blaesi, Elizabeth J; Shafaat, Hannah S</p> <p>2017-07-05</p> <p>The assembly mechanism of the Mn/Fe ligand-binding oxidases (R2lox), a family of proteins that are homologous to the nonheme diiron carboxylate enzymes, has been investigated using time-resolved techniques. Multiple heterobimetallic intermediates that exhibit unique spectral features, including visible absorption bands and exceptionally broad electron paramagnetic resonance signatures, are observed through optical and magnetic resonance spectroscopies. On the basis of comparison to known diiron species and model compounds, the spectra have been attributed to (μ-peroxo)-Mn III /Fe III and high-valent Mn/Fe species. Global spectral analysis coupled with isotopic substitution and kinetic modeling reveals elementary rate constants for the assembly of Mn/Fe R2lox under aerobic conditions. A complete reaction mechanism for cofactor maturation that is consistent with experimental data has been developed. These results suggest that the Mn/Fe cofactor can perform direct C-H bond abstraction, demonstrating the potential for potent chemical reactivity that remains unexplored.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20120008558','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20120008558"><span>The Analysis of Adhesively Bonded Advanced Composite Joints Using Joint Finite Elements</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Stapleton, Scott E.; Waas, Anthony M.</p> <p>2012-01-01</p> <p>The design and sizing of adhesively bonded joints has always been a major bottleneck in the design of composite vehicles. Dense finite element (FE) meshes are required to capture the full behavior of a joint numerically, but these dense meshes are impractical in vehicle-scale models where a course mesh is more desirable to make quick assessments and comparisons of different joint geometries. Analytical models are often helpful in sizing, but difficulties arise in coupling these models with full-vehicle FE models. Therefore, a joint FE was created which can be used within structural FE models to make quick assessments of bonded composite joints. The shape functions of the joint FE were found by solving the governing equations for a structural model for a joint. By analytically determining the shape functions of the joint FE, the complex joint behavior can be captured with very few elements. This joint FE was modified and used to consider adhesives with functionally graded material properties to reduce the peel stress concentrations located near adherend discontinuities. Several practical concerns impede the actual use of such adhesives. These include increased manufacturing complications, alterations to the grading due to adhesive flow during manufacturing, and whether changing the loading conditions significantly impact the effectiveness of the grading. An analytical study is conducted to address these three concerns. Furthermore, proof-of-concept testing is conducted to show the potential advantages of functionally graded adhesives. In this study, grading is achieved by strategically placing glass beads within the adhesive layer at different densities along the joint. Furthermore, the capability to model non-linear adhesive constitutive behavior with large rotations was developed, and progressive failure of the adhesive was modeled by re-meshing the joint as the adhesive fails. Results predicted using the joint FE was compared with experimental results for various joint configurations, including double cantilever beam and single lap joints.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1357974-investigation-fecral-cladding-behavior-under-normal-operating-loss-coolant-conditions','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1357974-investigation-fecral-cladding-behavior-under-normal-operating-loss-coolant-conditions"><span>An investigation of FeCrAl cladding behavior under normal operating and loss of coolant conditions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Gamble, Kyle A.; Barani, Tommaso; Pizzocri, David; ...</p> <p>2017-04-30</p> <p>Iron-chromium-aluminum (FeCrAl) alloys are candidates to be used as nuclear fuel cladding for increased accident tolerance. An analysis of the response of FeCrAl under normal operating and loss of coolant conditions has been performed using fuel performance modeling. In particular, recent information on FeCrAl material properties and phenomena from separate effects tests has been implemented in the BISON fuel performance code and analyses of integral fuel rod behavior with FeCrAl cladding have been performed. BISON simulations included both light water reactor normal operation and loss-of-coolant accidental transients. In order to model fuel rod behavior during accidents, a cladding failure criterionmore » is desirable. For FeCrAl alloys, a failure criterion is developed using recent burst experiments under loss of coolant like conditions. The added material models are utilized to perform comparative studies with Zircaloy-4 under normal operating conditions and oxidizing and non-oxidizing out-of-pile loss of coolant conditions. The results indicate that for all conditions studied, FeCrAl behaves similarly to Zircaloy-4 with the exception of improved oxidation performance. Here, further experiments are required to confirm these observations.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1357974','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1357974"><span>An investigation of FeCrAl cladding behavior under normal operating and loss of coolant conditions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Gamble, Kyle A.; Barani, Tommaso; Pizzocri, David</p> <p></p> <p>Iron-chromium-aluminum (FeCrAl) alloys are candidates to be used as nuclear fuel cladding for increased accident tolerance. An analysis of the response of FeCrAl under normal operating and loss of coolant conditions has been performed using fuel performance modeling. In particular, recent information on FeCrAl material properties and phenomena from separate effects tests has been implemented in the BISON fuel performance code and analyses of integral fuel rod behavior with FeCrAl cladding have been performed. BISON simulations included both light water reactor normal operation and loss-of-coolant accidental transients. In order to model fuel rod behavior during accidents, a cladding failure criterionmore » is desirable. For FeCrAl alloys, a failure criterion is developed using recent burst experiments under loss of coolant like conditions. The added material models are utilized to perform comparative studies with Zircaloy-4 under normal operating conditions and oxidizing and non-oxidizing out-of-pile loss of coolant conditions. The results indicate that for all conditions studied, FeCrAl behaves similarly to Zircaloy-4 with the exception of improved oxidation performance. Here, further experiments are required to confirm these observations.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1334002-interactions-between-fe-iii-oxides-fe-iii-phyllosilicates-during-microbial-reduction-synthetic-sediments','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1334002-interactions-between-fe-iii-oxides-fe-iii-phyllosilicates-during-microbial-reduction-synthetic-sediments"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Wu, Tao; Kukkadapu, Ravi K.; Griffin, Aron M.</p> <p></p> <p>Fe(III)-oxides and Fe(III)-bearing phyllosilicates are the two major iron sources utilized as electron acceptors by dissimilatory iron-reducing bacteria (DIRB) in anoxic soils and sediments. Although there have been many studies of microbial Fe(III)-oxide and Fe(III)-phyllosilicate reduction with both natural and specimen materials, no controlled experimental information is available on the interaction between these two phases when both are available for microbial reduction. In this study, the model DIRB Geobacter sulfurreducens was used to examine the pathways of Fe(III) reduction in Fe(III)-oxide stripped subsurface sediment that was coated with different amounts of synthetic high surface area goethite. Cryogenic (12K) 57Fe Mössbauermore » spectroscopy was used to determine changes in the relative abundances of Fe(III)-oxide, Fe(III)-phyllosilicate, and phyllosilicate-associated Fe(II) (Fe(II)-phyllosilicate) in bioreduced samples. Analogous Mössbauer analyses were performed on samples from abiotic Fe(II) sorption experiments in which sediments were exposed to a quantity of exogenous soluble Fe(II) (FeCl22H2O) comparable to the amount of Fe(II) produced during microbial reduction. A Fe partitioning model was developed to analyze the fate of Fe(II) and assess the potential for abiotic Fe(II)-catalyzed reduction of Fe(III)-phyllosilicatesilicates. The microbial reduction experiments indicated that although reduction of Fe(III)-oxide accounted for virtually all of the observed bulk Fe(III) reduction activity, there was no significant abiotic electron transfer between oxide-derived Fe(II) and Fe(III)-phyllosilicatesilicates, with 26-87% of biogenic Fe(II) appearing as sorbed Fe(II) in the Fe(II)-phyllosilicate pool. In contrast, the abiotic Fe(II) sorption experiments showed that 41 and 24% of the added Fe(II) engaged in electron transfer to Fe(III)-phyllosilicate surfaces in synthetic goethite-coated and uncoated sediment. Differences in the rate of Fe(II) addition and system redox potential may account for the microbial and abiotic reaction systems. Our experiments provide new insight into pathways for Fe(III) reduction in mixed Fe(III)-oxide/Fe(III)-phyllosilicate assemblages, and provide key mechanistic insight for interpreting microbial reduction experiments and field data from complex natural soils and sediments.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JMEP...24.1741N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JMEP...24.1741N"><span>Finite Element Analysis of Plastic Deformation During Impression Creep</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Naveena; Ganesh Kumar, J.; Mathew, M. D.</p> <p>2015-04-01</p> <p>Finite element (FE) analysis of plastic deformation associated with impression creep deformation of 316LN stainless steel was carried out. An axisymmetric FE model of 10 × 10 × 10 mm specimen with 1-mm-diameter rigid cylindrical flat punch was developed. FE simulation of impression creep deformation was performed by assuming elastic-plastic-power-law creep deformation behavior. Evolution of the stress with time under the punch during elastic, plastic, and creep processes was analyzed. The onset of plastic deformation was found to occur at a nominal stress about 1.12 times the yield stress of the material. The size of the developed plastic zone was predicted to be about three times the radius of the punch. The material flow behavior and the pile-up on specimen surface have been modeled.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JPS...313..198S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JPS...313..198S"><span>Effects of imbalanced currents on large-format LiFePO4/graphite batteries systems connected in parallel</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Shi, Wei; Hu, Xiaosong; Jin, Chao; Jiang, Jiuchun; Zhang, Yanru; Yip, Tony</p> <p>2016-05-01</p> <p>With the development and popularization of electric vehicles, it is urgent and necessary to develop effective management and diagnosis technology for battery systems. In this work, we design a parallel battery model, according to equivalent circuits of parallel voltage and branch current, to study effects of imbalanced currents on parallel large-format LiFePO4/graphite battery systems. Taking a 60 Ah LiFePO4/graphite battery system manufactured by ATL (Amperex Technology Limited, China) as an example, causes of imbalanced currents in the parallel connection are analyzed using our model, and the associated effect mechanisms on long-term stability of each single battery are examined. Theoretical and experimental results show that continuously increasing imbalanced currents during cycling are mainly responsible for the capacity fade of LiFePO4/graphite parallel batteries. It is thus a good way to avoid fast performance fade of parallel battery systems by suppressing variations of branch currents.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1339249','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1339249"><span>Development of a Rhodobacter capsulatus self-reporting model system for optimizing light-dependent, [FeFe]-hydrogenase-driven H 2 production</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Wecker, Matt S. A.; Beaton, Stephen E.; Chado, Robert A.</p> <p></p> <p>The photosynthetic bacterium Rhodobacter capsulatus normally photoproduces H 2 as a by-product of its nitrogenase-catalyzed nitrogen-fixing activity. Such H 2 production, however, is expensive from a metabolic perspective, requiring nearly four times as many photons as the equivalent algal hydrogenase-based system. Here we report the insertion of a Clostridium acetobutylicum [FeFe]-hydrogenase and its three attendant hydrogenase assembly proteins into an R. capsulatus strain lacking its native uptake hydrogenase. Further, this strain is modified to fluoresce upon sensing H 2. The resulting strain photoproduces H 2 and self-reports its own H 2 production through fluorescence. Furthermore, this model system represents amore » unique method of developing hydrogenase-based H 2 production in R. capsulatus, may serve as a powerful system for in vivo directed evolution of hydrogenases and hydrogenase-associated genes, and provides a means of screening for increased metabolic production of H 2.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1339249-development-rhodobacter-capsulatus-self-reporting-model-system-optimizing-light-dependent-fefe-hydrogenase-driven-h2-production','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1339249-development-rhodobacter-capsulatus-self-reporting-model-system-optimizing-light-dependent-fefe-hydrogenase-driven-h2-production"><span>Development of a Rhodobacter capsulatus self-reporting model system for optimizing light-dependent, [FeFe]-hydrogenase-driven H 2 production</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Wecker, Matt S. A.; Beaton, Stephen E.; Chado, Robert A.; ...</p> <p>2016-08-17</p> <p>The photosynthetic bacterium Rhodobacter capsulatus normally photoproduces H 2 as a by-product of its nitrogenase-catalyzed nitrogen-fixing activity. Such H 2 production, however, is expensive from a metabolic perspective, requiring nearly four times as many photons as the equivalent algal hydrogenase-based system. Here we report the insertion of a Clostridium acetobutylicum [FeFe]-hydrogenase and its three attendant hydrogenase assembly proteins into an R. capsulatus strain lacking its native uptake hydrogenase. Further, this strain is modified to fluoresce upon sensing H 2. The resulting strain photoproduces H 2 and self-reports its own H 2 production through fluorescence. Furthermore, this model system represents amore » unique method of developing hydrogenase-based H 2 production in R. capsulatus, may serve as a powerful system for in vivo directed evolution of hydrogenases and hydrogenase-associated genes, and provides a means of screening for increased metabolic production of H 2.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2005AcSpA..62..226P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2005AcSpA..62..226P"><span>Iron pentacarbonyl detection limits in the cigarette smoke matrix using FT-IR spectroscopy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Parrish, Milton E.; Plunkett, Susan E.; Harward, Charles N.</p> <p>2005-11-01</p> <p>Endogenous metals present in tobacco from agricultural practices have been purported to generate metal carbonyls in cigarette smoke. Transition metal catalysts, such as iron oxide, have been investigated for the reduction of carbon monoxide (CO) in cigarette smoke. These studies motivated the development of an analytical method to determine if iron pentacarbonyl [Fe(CO) 5] is present in mainstream smoke from cigarette models having cigarette paper made with iron oxide. An FT-IR puff-by-puff method was developed and the detection limit was determined using two primary reference spectra from different sources to estimate the amount of Fe(CO) 5 present in a high-pressure steel cylinder of CO. We do not detect Fe(CO) 5 in a single 35 mL puff from reference cigarettes or from those cigarette models having cigarette paper made with iron oxide, with a 30-ppbV limit of detection (LOD). Also, it was shown that a filter containing activated carbon would remove Fe(CO) 5.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012MsT..........4K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012MsT..........4K"><span>Critical evaluation and thermodynamic optimization of the Iron-Rare-Earth systems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Konar, Bikram</p> <p></p> <p>Rare-Earth elements by virtue of its typical magnetic, electronic and chemical properties are gaining importance in power, electronics, telecommunications and sustainable green technology related industries. The Magnets from RE-alloys are more powerful than conventional magnets which have more longevity and high temperature workability. The dis-equilibrium in the Rare-Earth element supply and demand has increased the importance of recycling and extraction of REE's from used permanent Magnets. However, lack of the thermodynamic data on RE alloys has made it difficult to design an effective extraction and recycling process. In this regard, Computational Thermodynamic calculations can serve as a cost effective and less time consuming tool to design a waste magnet recycling process. The most common RE permanent magnet is Nd magnet (Nd 2Fe14B). Various elements such as Dy, Tb, Pr, Cu, Co, Ni, etc. are also added to increase its magnetic and mechanical properties. In order to perform reliable thermodynamic calculations for the RE recycling process, accurate thermodynamic database for RE and related alloys are required. The thermodynamic database can be developed using the so-called CALPHAD method. The database development based on the CALPHAD method is essentially the critical evaluation and optimization of all available thermodynamic and phase diagram data. As a results, one set of self-consistent thermodynamic functions for all phases in the given system can be obtained, which can reproduce all reliable thermodynamic and phase diagram data. The database containing the optimized Gibbs energy functions can be used to calculate complex chemical reactions for any high temperature processes. Typically a Gibbs energy minimization routine, such as in FactSage software, can be used to obtain the accurate thermodynamic equilibrium in multicomponent systems. As part of a large thermodynamic database development for permanent magnet recycling and Mg alloy design, all thermodynamic and phase diagram data in the literature for the fourteen Fe-RE binary systems: Fe-La, Fe-Ce, Fe-Pr, Fe-Nd, Fe-Sm, Fe-Gd, Fe-Tb, Fe-Dy, Fe-Ho, Fe-Er, Fe-Tm, Fe-Lu, Fe-Sc and Fe-Y are critically evaluated and optimized to obtain thermodynamic model parameters. The model parameters can be used to calculate phase diagrams and Gibbs energies of all phases as functions of temperature and composition. This database can be incorporated with the present thermodynamic database in FactSage software to perform complex chemical reactions and phase diagram calculations for RE magnet recycling process.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018E%26ES..143a2037N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018E%26ES..143a2037N"><span>The numerical high cycle fatigue damage model of fillet weld joint under weld-induced residual stresses</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Nguyen Van Do, Vuong</p> <p>2018-04-01</p> <p>In this study, a development of nonlinear continuum damage mechanics (CDM) model for multiaxial high cycle fatigue is proposed in which the cyclic plasticity constitutive model has been incorporated in the finite element (FE) framework. T-joint FE simulation of fillet welding is implemented to characterize sequentially coupled three-dimensional (3-D) of thermo-mechanical FE formulation and simulate the welding residual stresses. The high cycle fatigue damage model is then taken account into the fillet weld joints under the various cyclic fatigue load types to calculate the fatigue life considering the residual stresses. The fatigue crack initiation and the propagation in the present model estimated for the total fatigue is compared with the experimental results. The FE results illustrated that the proposed high cycle fatigue damage model in this study could become a powerful tool to effectively predict the fatigue life of the welds. Parametric studies in this work are also demonstrated that the welding residual stresses cannot be ignored in the computation of the fatigue life of welded structures.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26495031','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26495031"><span>Effects of the Variation in Brain Tissue Mechanical Properties on the Intracranial Response of a 6-Year-Old Child.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cui, Shihai; Li, Haiyan; Li, Xiangnan; Ruan, Jesse</p> <p>2015-01-01</p> <p>Brain tissue mechanical properties are of importance to investigate child head injury using finite element (FE) method. However, these properties used in child head FE model normally vary in a large range in published literatures because of the insufficient child cadaver experiments. In this work, a head FE model with detailed anatomical structures is developed from the computed tomography (CT) data of a 6-year-old healthy child head. The effects of brain tissue mechanical properties on traumatic brain response are also analyzed by reconstruction of a head impact on engine hood according to Euro-NCAP testing regulation using FE method. The result showed that the variations of brain tissue mechanical parameters in linear viscoelastic constitutive model had different influences on the intracranial response. Furthermore, the opposite trend was obtained in the predicted shear stress and shear strain of brain tissues caused by the variations of mentioned parameters.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20140013190','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20140013190"><span>Astronaut Bone Medical Standards Derived from Finite Element (FE) Models of QCT Scans from Population Studies</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Sibonga, J. D.; Feiveson, A. H.</p> <p>2014-01-01</p> <p>This work was accomplished in support of the Finite Element [FE] Strength Task Group, NASA Johnson Space Center [JSC], Houston, TX. This group was charged with the task of developing rules for using finite-element [FE] bone-strength measures to construct operating bands for bone health that are relevant to astronauts following exposure to spaceflight. FE modeling is a computational tool used by engineers to estimate the failure loads of complex structures. Recently, some engineers have used this tool to characterize the failure loads of the hip in population studies that also monitored fracture outcomes. A Directed Research Task was authorized in July, 2012 to investigate FE data from these population studies to derive these proposed standards of bone health as a function of age and gender. The proposed standards make use of an FE-based index that integrates multiple contributors to bone strength, an expanded evaluation that is critical after an astronaut is exposed to spaceflight. The current index of bone health used by NASA is the measurement of areal BMD. There was a concern voiced by a research and clinical advisory panel that the sole use of areal BMD would be insufficient to fully evaluate the effects of spaceflight on the hip. Hence, NASA may not have a full understanding of fracture risk, both during and after a mission, and may be poorly estimating in-flight countermeasure efficacy. The FE Strength Task Group - composed of principal investigators of the aforementioned population studies and of FE modelers -donated some of its population QCT data to estimate of hip bone strength by FE modeling for this specific purpose. Consequently, Human Health Countermeasures [HHC] has compiled a dataset of FE hip strengths, generated by a single FE modeling approach, from human subjects (approx.1060) with ages covering the age range of the astronauts. The dataset has been analyzed to generate a set of FE strength cutoffs for the following scenarios: a) Qualify an applicant for astronaut candidacy, b) Qualify an astronaut for a long-duration (LD) mission, c) Qualify a veteran LD astronaut for a second LD mission, and d) Establish a non-permissible, minimum hip strength following a given mission architecture. This abstract will present the FE-based standards accepted by the FE Strength Task Group for its recommendation to HHC in January 2015.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23246086','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23246086"><span>Anthropometric dependence of the response of a thorax FE model under high speed loading: validation and real world accident replication.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Roth, Sébastien; Torres, Fabien; Feuerstein, Philippe; Thoral-Pierre, Karine</p> <p>2013-05-01</p> <p>Finite element analysis is frequently used in several fields such as automotive simulations or biomechanics. It helps researchers and engineers to understand the mechanical behaviour of complex structures. The development of computer science brought the possibility to develop realistic computational models which can behave like physical ones, avoiding the difficulties and costs of experimental tests. In the framework of biomechanics, lots of FE models have been developed in the last few decades, enabling the investigation of the behaviour of the human body submitted to heavy damage such as in road traffic accidents or in ballistic impact. In both cases, the thorax/abdomen/pelvis system is frequently injured. The understanding of the behaviour of this complex system is of extreme importance. In order to explore the dynamic response of this system to impact loading, a finite element model of the human thorax/abdomen/pelvis system has, therefore, been developed including the main organs: heart, lungs, kidneys, liver, spleen, the skeleton (with vertebrae, intervertebral discs, ribs), stomach, intestines, muscles, and skin. The FE model is based on a 3D reconstruction, which has been made from medical records of anonymous patients, who have had medical scans with no relation to the present study. Several scans have been analyzed, and specific attention has been paid to the anthropometry of the reconstructed model, which can be considered as a 50th percentile male model. The biometric parameters and laws have been implemented in the dynamic FE code (Radioss, Altair Hyperworks 11©) used for dynamic simulations. Then the 50th percentile model was validated against experimental data available in the literature, in terms of deflection, force, whose curve must be in experimental corridors. However, for other anthropometries (small male or large male models) question about the validation and results of numerical accident replications can be raised. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MS%26E..283a2014Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MS%26E..283a2014Y"><span>Development and application of free pretreatment container steel</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yang, Y.; Liu, Y.; Han, B.; Wei, B.; Wang, S. Z.</p> <p>2017-12-01</p> <p>Due to economic and environmental advantages pre-treatment containers have good big development prospects, which can avoid shot blasting processes, and decrease the noise and dust pollution. By analyzing requirements of the container steel surface quality, target oxide scale structure of free pretreatment container steel has been determined. Trial process was carried out, and test results showed that the oxide scale achieved the desired objects, oxide scale with outer thin Fe3O4 layer and inner eutectoid α-Fe+Fe3O4. Salt spray test, second adhesion test, and modeling performance basically corroborated the container feasibility.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4025571','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4025571"><span>Mössbauer, EPR, and Modeling Study of Iron Trafficking and Regulation in Δccc1 and CCC1-up Saccharomyces cerevisiae</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p></p> <p>2015-01-01</p> <p>Strains lacking and overexpressing the vacuolar iron (Fe) importer CCC1 were characterized using Mössbauer and EPR spectroscopies. Vacuolar Fe import is impeded in Δccc1 cells and enhanced in CCC1-up cells, causing vacuolar Fe in these strains to decline and accumulate, respectively, relative to WT cells. Cytosolic Fe levels should behave oppositely. The Fe content of Δccc1 cells grown under low-Fe conditions was similar to that in WT cells. Most Fe was mitochondrial with some nonheme high spin (NHHS) FeII present. Δccc1 cells grown with increasing Fe concentration in the medium contained less total Fe, less vacuolar HS FeIII, and more NHHS FeII than in comparable WT cells. As the Fe concentration in the growth medium increased, the concentration of HS FeIII in Δccc1 cells increased to just 60% of WT levels, while NHHS FeII increased to twice WT levels, suggesting that the NHHS FeII was cytosolic. Δccc1 cells suffered more oxidative damage than WT cells, suggesting that the accumulated NHHS FeII promoted Fenton chemistry. The Fe concentration in CCC1-up cells was higher than in WT cells; the extra Fe was present as NHHS FeII and FeIII and as FeIII oxyhydroxide nanoparticles. These cells contained less mitochondrial Fe and exhibited less ROS damage than Δccc1 cells. CCC1-up cells were adenine-deficient on minimal medium; supplementing with adenine caused a decline of NHHS FeII suggesting that some of the NHHS FeII that accumulated in these cells was associated with adenine deficiency rather than the overexpression of CCC1. A mathematical model was developed that simulated changes in Fe distributions. Simulations suggested that only a modest proportion of the observed NHHS FeII in both strains was the cytosolic form of Fe that is sensed by the Fe import regulatory system. The remainder is probably generated by the reduction of the vacuolar NHHS FeIII species. PMID:24785783</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24785783','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24785783"><span>Mössbauer, EPR, and modeling study of iron trafficking and regulation in Δccc1 and CCC1-up Saccharomyces cerevisiae.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cockrell, Allison; McCormick, Sean P; Moore, Michael J; Chakrabarti, Mrinmoy; Lindahl, Paul A</p> <p>2014-05-13</p> <p>Strains lacking and overexpressing the vacuolar iron (Fe) importer CCC1 were characterized using Mössbauer and EPR spectroscopies. Vacuolar Fe import is impeded in Δccc1 cells and enhanced in CCC1-up cells, causing vacuolar Fe in these strains to decline and accumulate, respectively, relative to WT cells. Cytosolic Fe levels should behave oppositely. The Fe content of Δccc1 cells grown under low-Fe conditions was similar to that in WT cells. Most Fe was mitochondrial with some nonheme high spin (NHHS) Fe(II) present. Δccc1 cells grown with increasing Fe concentration in the medium contained less total Fe, less vacuolar HS Fe(III), and more NHHS Fe(II) than in comparable WT cells. As the Fe concentration in the growth medium increased, the concentration of HS Fe(III) in Δccc1 cells increased to just 60% of WT levels, while NHHS Fe(II) increased to twice WT levels, suggesting that the NHHS Fe(II) was cytosolic. Δccc1 cells suffered more oxidative damage than WT cells, suggesting that the accumulated NHHS Fe(II) promoted Fenton chemistry. The Fe concentration in CCC1-up cells was higher than in WT cells; the extra Fe was present as NHHS Fe(II) and Fe(III) and as Fe(III) oxyhydroxide nanoparticles. These cells contained less mitochondrial Fe and exhibited less ROS damage than Δccc1 cells. CCC1-up cells were adenine-deficient on minimal medium; supplementing with adenine caused a decline of NHHS Fe(II) suggesting that some of the NHHS Fe(II) that accumulated in these cells was associated with adenine deficiency rather than the overexpression of CCC1. A mathematical model was developed that simulated changes in Fe distributions. Simulations suggested that only a modest proportion of the observed NHHS Fe(II) in both strains was the cytosolic form of Fe that is sensed by the Fe import regulatory system. The remainder is probably generated by the reduction of the vacuolar NHHS Fe(III) species.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_3");'>3</a></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li class="active"><span>5</span></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_5 --> <div id="page_6" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li class="active"><span>6</span></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="101"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28601243','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28601243"><span>Accounting for spatial variation of trabecular anisotropy with subject-specific finite element modeling moderately improves predictions of local subchondral bone stiffness at the proximal tibia.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Nazemi, S Majid; Kalajahi, S Mehrdad Hosseini; Cooper, David M L; Kontulainen, Saija A; Holdsworth, David W; Masri, Bassam A; Wilson, David R; Johnston, James D</p> <p>2017-07-05</p> <p>Previously, a finite element (FE) model of the proximal tibia was developed and validated against experimentally measured local subchondral stiffness. This model indicated modest predictions of stiffness (R 2 =0.77, normalized root mean squared error (RMSE%)=16.6%). Trabecular bone though was modeled with isotropic material properties despite its orthotropic anisotropy. The objective of this study was to identify the anisotropic FE modeling approach which best predicted (with largest explained variance and least amount of error) local subchondral bone stiffness at the proximal tibia. Local stiffness was measured at the subchondral surface of 13 medial/lateral tibial compartments using in situ macro indentation testing. An FE model of each specimen was generated assuming uniform anisotropy with 14 different combinations of cortical- and tibial-specific density-modulus relationships taken from the literature. Two FE models of each specimen were also generated which accounted for the spatial variation of trabecular bone anisotropy directly from clinical CT images using grey-level structure tensor and Cowin's fabric-elasticity equations. Stiffness was calculated using FE and compared to measured stiffness in terms of R 2 and RMSE%. The uniform anisotropic FE model explained 53-74% of the measured stiffness variance, with RMSE% ranging from 12.4 to 245.3%. The models which accounted for spatial variation of trabecular bone anisotropy predicted 76-79% of the variance in stiffness with RMSE% being 11.2-11.5%. Of the 16 evaluated finite element models in this study, the combination of Synder and Schneider (for cortical bone) and Cowin's fabric-elasticity equations (for trabecular bone) best predicted local subchondral bone stiffness. Copyright © 2017 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1436926-evaluation-neutron-reactions-iron-isotopes-cielo-endf-viii','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1436926-evaluation-neutron-reactions-iron-isotopes-cielo-endf-viii"><span>Evaluation of Neutron Reactions on Iron Isotopes for CIELO and ENDF/B-VIII.0</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Herman, M.; Trkov, A.; Capote, R.; ...</p> <p>2018-02-01</p> <p>A new suite of evaluations for 54,56,57,58Fe has been developed in the framework of the CIELO international collaboration. New resolved resonance ranges were evaluated for 54Fe and 57Fe, while modifications were applied to resonances in 56Fe. The low energy part of the 56Fe file is almost totally based on measurements. At higher energies in 56Fe and in the whole fast neutron range for minor isotopes the evaluation consists of model predictions carefully adjusted to available experimental data. We also make use of the high quality and well experimentally-constrained dosimetry evaluations from the IRDFF library. Special attention was dedicated to themore » elastic angular distributions, which were found to affect results of the integral benchmarking. The new set of iron evaluations was developed in concert with other CIELO evaluations and they were tested together in the integral experiments before being adopted for the ENDF/B-VIII.0 library.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018NDS...148..214H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018NDS...148..214H"><span>Evaluation of Neutron Reactions on Iron Isotopes for CIELO and ENDF/B-VIII.0</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Herman, M.; Trkov, A.; Capote, R.; Nobre, G. P. A.; Brown, D. A.; Arcilla, R.; Danon, Y.; Plompen, A.; Mughabghab, S. F.; Jing, Q.; Zhigang, G.; Tingjin, L.; Hanlin, L.; Xichao, R.; Leal, L.; Carlson, B. V.; Kawano, T.; Sin, M.; Simakov, S. P.; Guber, K.</p> <p>2018-02-01</p> <p>A new suite of evaluations for 54,56,57,58Fe has been developed in the framework of the CIELO international collaboration. New resolved resonance ranges were evaluated for 54Fe and 57Fe, while modifications were applied to resonances in 56Fe. The low energy part of the 56Fe file is almost totally based on measurements. At higher energies in 56Fe and in the whole fast neutron range for minor isotopes the evaluation consists of model predictions carefully adjusted to available experimental data. We also make use of the high quality and well experimentally-constrained dosimetry evaluations from the IRDFF library. Special attention was dedicated to the elastic angular distributions, which were found to affect results of the integral benchmarking. The new set of iron evaluations was developed in concert with other CIELO evaluations and they were tested together in the integral experiments before being adopted for the ENDF/B-VIII.0 library.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1436926','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1436926"><span>Evaluation of Neutron Reactions on Iron Isotopes for CIELO and ENDF/B-VIII.0</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Herman, M.; Trkov, A.; Capote, R.</p> <p></p> <p>A new suite of evaluations for 54,56,57,58Fe has been developed in the framework of the CIELO international collaboration. New resolved resonance ranges were evaluated for 54Fe and 57Fe, while modifications were applied to resonances in 56Fe. The low energy part of the 56Fe file is almost totally based on measurements. At higher energies in 56Fe and in the whole fast neutron range for minor isotopes the evaluation consists of model predictions carefully adjusted to available experimental data. We also make use of the high quality and well experimentally-constrained dosimetry evaluations from the IRDFF library. Special attention was dedicated to themore » elastic angular distributions, which were found to affect results of the integral benchmarking. The new set of iron evaluations was developed in concert with other CIELO evaluations and they were tested together in the integral experiments before being adopted for the ENDF/B-VIII.0 library.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016MMTA...47.4970T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016MMTA...47.4970T"><span>Precipitation Modeling in Nitriding in Fe-M Binary System</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tomio, Yusaku; Miyamoto, Goro; Furuhara, Tadashi</p> <p>2016-10-01</p> <p>Precipitation of fine alloy nitrides near the specimen surface results in significant surface hardening in nitriding of alloyed steels. In this study, a simulation model of alloy nitride precipitation during nitriding is developed for Fe-M binary system based upon the Kampmann-Wagner numerical model in order to predict variations in the distribution of precipitates with depth. The model can predict the number density, average radius, and volume fraction of alloy nitrides as a function of depth from the surface and nitriding time. By a comparison with the experimental observation in a nitrided Fe-Cr alloy, it was found that the model can predict successfully the observed particle distribution from the surface into depth when appropriate solubility of CrN, interfacial energy between CrN and α, and nitrogen flux at the surface are selected.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28934161','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28934161"><span>Improving the Process of Adjusting the Parameters of Finite Element Models of Healthy Human Intervertebral Discs by the Multi-Response Surface Method.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Gómez, Fátima Somovilla; Lorza, Rubén Lostado; Bobadilla, Marina Corral; García, Rubén Escribano</p> <p>2017-09-21</p> <p>The kinematic behavior of models that are based on the finite element method (FEM) for modeling the human body depends greatly on an accurate estimate of the parameters that define such models. This task is complex, and any small difference between the actual biomaterial model and the simulation model based on FEM can be amplified enormously in the presence of nonlinearities. The current paper attempts to demonstrate how a combination of the FEM and the MRS methods with desirability functions can be used to obtain the material parameters that are most appropriate for use in defining the behavior of Finite Element (FE) models of the healthy human lumbar intervertebral disc (IVD). The FE model parameters were adjusted on the basis of experimental data from selected standard tests (compression, flexion, extension, shear, lateral bending, and torsion) and were developed as follows: First, three-dimensional parameterized FE models were generated on the basis of the mentioned standard tests. Then, 11 parameters were selected to define the proposed parameterized FE models. For each of the standard tests, regression models were generated using MRS to model the six stiffness and nine bulges of the healthy IVD models that were created by changing the parameters of the FE models. The optimal combination of the 11 parameters was based on three different adjustment criteria. The latter, in turn, were based on the combination of stiffness and bulges that were obtained from the standard test FE simulations. The first adjustment criteria considered stiffness and bulges to be equally important in the adjustment of FE model parameters. The second adjustment criteria considered stiffness as most important, whereas the third considered the bulges to be most important. The proposed adjustment methods were applied to a medium-sized human IVD that corresponded to the L3-L4 lumbar level with standard dimensions of width = 50 mm, depth = 35 mm, and height = 10 mm. Agreement between the kinematic behavior that was obtained with the optimized parameters and that obtained from the literature demonstrated that the proposed method is a powerful tool with which to adjust healthy IVD FE models when there are many parameters, stiffnesses, and bulges to which the models must adjust.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5666922','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5666922"><span>Improving the Process of Adjusting the Parameters of Finite Element Models of Healthy Human Intervertebral Discs by the Multi-Response Surface Method</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Somovilla Gómez, Fátima</p> <p>2017-01-01</p> <p>The kinematic behavior of models that are based on the finite element method (FEM) for modeling the human body depends greatly on an accurate estimate of the parameters that define such models. This task is complex, and any small difference between the actual biomaterial model and the simulation model based on FEM can be amplified enormously in the presence of nonlinearities. The current paper attempts to demonstrate how a combination of the FEM and the MRS methods with desirability functions can be used to obtain the material parameters that are most appropriate for use in defining the behavior of Finite Element (FE) models of the healthy human lumbar intervertebral disc (IVD). The FE model parameters were adjusted on the basis of experimental data from selected standard tests (compression, flexion, extension, shear, lateral bending, and torsion) and were developed as follows: First, three-dimensional parameterized FE models were generated on the basis of the mentioned standard tests. Then, 11 parameters were selected to define the proposed parameterized FE models. For each of the standard tests, regression models were generated using MRS to model the six stiffness and nine bulges of the healthy IVD models that were created by changing the parameters of the FE models. The optimal combination of the 11 parameters was based on three different adjustment criteria. The latter, in turn, were based on the combination of stiffness and bulges that were obtained from the standard test FE simulations. The first adjustment criteria considered stiffness and bulges to be equally important in the adjustment of FE model parameters. The second adjustment criteria considered stiffness as most important, whereas the third considered the bulges to be most important. The proposed adjustment methods were applied to a medium-sized human IVD that corresponded to the L3–L4 lumbar level with standard dimensions of width = 50 mm, depth = 35 mm, and height = 10 mm. Agreement between the kinematic behavior that was obtained with the optimized parameters and that obtained from the literature demonstrated that the proposed method is a powerful tool with which to adjust healthy IVD FE models when there are many parameters, stiffnesses, and bulges to which the models must adjust. PMID:28934161</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1376905','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1376905"><span>Nuclear Energy Advanced Modeling and Simulation (NEAMS) Accident Tolerant Fuels High Impact Problem: Coordinate Multiscale FeCrAl Modeling</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Gamble, K. A.; Hales, J. D.; Zhang, Y.</p> <p></p> <p>Since the events at the Fukushima-Daiichi nuclear power plant in March 2011 significant research has unfolded at national laboratories, universities and other institutions into alternative materials that have potential enhanced ac- cident tolerance when compared to traditional UO2 fuel zircaloy clad fuel rods. One of the potential replacement claddings are iron-chromium-alunimum (FeCrAl) alloys due to their increased oxidation resistance [1–4] and higher strength [1, 2]. While the oxidation characteristics of FeCrAl are a benefit for accident tolerance, the thermal neu- tron absorption cross section of FeCrAl is about ten times that of Zircaloy. This neutronic penalty necessitates thinner cladding. Thismore » allows for slightly larger pellets to give the same cold gap width in the rod. However, the slight increase in pellet diameter is not sufficient to compensate for the neutronic penalty and enriching the fuel beyond the current 5% limit appears to be necessary [5]. Current estimates indicate that this neutronic penalty will impose an increase in fuel cost of 15-35% [1, 2]. In addition to the neutronic disadvantage, it is anticipated that tritium release to the coolant will be larger because the permeability of hydrogen in FeCrAl is about 100 times higher than in Zircaloy [6]. Also, radiation-induced hardening and embrittlement of FeCrAl need to be fully characterized experimentally [7]. Due to the aggressive development schedule for inserting some of the potential materials into lead test assemblies or rods by 2022 [8] multiscale multiphysics modeling approaches have been used to provide insight into these the use of FeCrAl as a cladding material. The purpose of this letter report is to highlight the multiscale modeling effort for iron-chromium-alunimum (FeCrAl) cladding alloys as part of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program through its Accident Tolerant Fuel (ATF) High Impact Problem (HIP). The approach taken throughout the HIP is to utilize lower length scale approaches (e.g., density functional theory, cluster dynamics, rate theory, phase field, and Visco-Plastic- Self-Consistent (VPSC)) to develop more physically informed models at the engineering scale for use in the BISON [9] fuel performance code.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4416946','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4416946"><span>A dynamic mechanical analysis technique for porous media</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Pattison, Adam J; McGarry, Matthew; Weaver, John B; Paulsen, Keith D</p> <p>2015-01-01</p> <p>Dynamic mechanical analysis (DMA) is a common way to measure the mechanical properties of materials as functions of frequency. Traditionally, a viscoelastic mechanical model is applied and current DMA techniques fit an analytical approximation to measured dynamic motion data by neglecting inertial forces and adding empirical correction factors to account for transverse boundary displacements. Here, a finite element (FE) approach to processing DMA data was developed to estimate poroelastic material properties. Frequency-dependent inertial forces, which are significant in soft media and often neglected in DMA, were included in the FE model. The technique applies a constitutive relation to the DMA measurements and exploits a non-linear inversion to estimate the material properties in the model that best fit the model response to the DMA data. A viscoelastic version of this approach was developed to validate the approach by comparing complex modulus estimates to the direct DMA results. Both analytical and FE poroelastic models were also developed to explore their behavior in the DMA testing environment. All of the models were applied to tofu as a representative soft poroelastic material that is a common phantom in elastography imaging studies. Five samples of three different stiffnesses were tested from 1 – 14 Hz with rough platens placed on the top and bottom surfaces of the material specimen under test to restrict transverse displacements and promote fluid-solid interaction. The viscoelastic models were identical in the static case, and nearly the same at frequency with inertial forces accounting for some of the discrepancy. The poroelastic analytical method was not sufficient when the relevant physical boundary constraints were applied, whereas the poroelastic FE approach produced high quality estimates of shear modulus and hydraulic conductivity. These results illustrated appropriate shear modulus contrast between tofu samples and yielded a consistent contrast in hydraulic conductivity as well. PMID:25248170</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MsT.........52B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MsT.........52B"><span>Development of Predictive Energy Management Strategies for Hybrid Electric Vehicles</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Baker, David</p> <p></p> <p>Studies have shown that obtaining and utilizing information about the future state of vehicles can improve vehicle fuel economy (FE). However, there has been a lack of research into the impact of real-world prediction error on FE improvements, and whether near-term technologies can be utilized to improve FE. This study seeks to research the effect of prediction error on FE. First, a speed prediction method is developed, and trained with real-world driving data gathered only from the subject vehicle (a local data collection method). This speed prediction method informs a predictive powertrain controller to determine the optimal engine operation for various prediction durations. The optimal engine operation is input into a high-fidelity model of the FE of a Toyota Prius. A tradeoff analysis between prediction duration and prediction fidelity was completed to determine what duration of prediction resulted in the largest FE improvement. Results demonstrate that 60-90 second predictions resulted in the highest FE improvement over the baseline, achieving up to a 4.8% FE increase. A second speed prediction method utilizing simulated vehicle-to-vehicle (V2V) communication was developed to understand if incorporating near-term technologies could be utilized to further improve prediction fidelity. This prediction method produced lower variation in speed prediction error, and was able to realize a larger FE improvement over the local prediction method for longer prediction durations, achieving up to 6% FE improvement. This study concludes that speed prediction and prediction-informed optimal vehicle energy management can produce FE improvements with real-world prediction error and drive cycle variability, as up to 85% of the FE benefit of perfect speed prediction was achieved with the proposed prediction methods.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013AGUFM.B14B..01C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013AGUFM.B14B..01C"><span>Fe-oxidizing microbes are hydrothermal vent ecosystem engineers at the Loihi Seamount (Invited)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chan, C. S.; McAllister, S.; Leavitt, A.; Emerson, D.; Moyer, C. L.; Glazer, B. T.</p> <p>2013-12-01</p> <p>Microaerophilic Fe-oxidizing microorganisms (FeOM) colonize gradients of Fe(II) and oxygen, taking advantage of the available chemical energy. Vast communities of FeOM proliferate at deep sea hydrothermal vents, forming mineralized mats that range from centimeters to meters thick. Because these mats structure the environment for both FeOM and the entire microbial community, the Fe-oxidizers are acting as ecosystem engineers. What organisms are responsible for initiating these mats, and how does the physical structure and community composition develop as the mats mature? By connecting structure, function, and ecology, we can better interpret modern mat structures, as well as ancient fossilized mats. We have been studying Fe microbial mats at Loihi Seamount in Hawaii, a long-term study site that has become a model for Fe oxidation in marine hydrothermal systems. Recent improvements in ROV imaging systems allow us to see a great range of mat textures and colors, which may represent diverse habitats and/or different stages of mat development. With improved imaging and sampling techniques, we have been able to obtain discrete, intact samples of these delicate microbial mats. Previous bulk sampling methods showed that mats consist of a mixture of Fe-mineralized morphologies. Our analyses of intact mats show that mats are initiated by one type of structure-former (either a stalk-former like Mariprofundus ferrooxydans or a Zetaproteobacterial sheath-former). These microbes may be the vanguard organisms that stabilize chemical gradients in this dynamic environment, allowing colonization by other organisms (evidenced by branching tubes, fibrillar nests, and other morphologies). We will show evidence of the composition and development of these mats, and discuss parallels between these marine Fe mats and their freshwater counterparts, supporting the idea that FeOM engineer environments favorable for growth.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018GeCoA.225..116W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018GeCoA.225..116W"><span>Kinetics of FeII-polyaminocarboxylate oxidation by molecular oxygen</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wilson, Jessica M.; Farley, Kevin J.; Carbonaro, Richard F.</p> <p>2018-03-01</p> <p>Complexation of iron by naturally-occurring and synthetic organic ligands has a large effect on iron oxidation and reduction rates which in turn affect the aqueous geochemistry of many other chemical constituents. In this study, the kinetics of FeII oxidation in the presence of the polyaminocarboxylate synthetic chelating agents ethylene glycol tetraacetic acid (EGTA) and trimethylenediamine-N,N,N‧,N‧-tetraacetic acid (TMDTA) was investigated over the pH range 5.50-8.53. Batch oxidation experiments in the presence of molecular oxygen were conducted using a 2:1 M concentration ratio of polyaminocarboxylate (ligand, L) to FeII. The experimental data resembled first order kinetics for the oxidation of FeII-L to FeIII-L and observed rate constants at pH 6.0 were comparable to rate constants for the oxidation of inorganic FeII. Similar to other structurally-similar FeII-polyaminocarboxylate complexes, oxidation rates of FeII-EGTA and FeII-TMDTA decrease with increasing pH, which is the opposite trend for the oxidation of FeII complexed with inorganic ligands. However, the oxidation rates of FeII complexed with EGTA and TMDTA were considerably lower (4-5 orders of magnitude) than FeII complexed to ethylenediaminetetraacetic acid (EDTA). The distinguishing feature of the slower-reacting complexes is that they have a longer backbone between diamine functional groups. An analytical equilibrium model was developed to determine the contributions of the species FeIIL2- and FeII(H)L- to the overall oxidation rate of FeII-L. Application of this model indicated that the protonated FeII(H)L species are more than three orders of magnitude more reactive than FeIIL2-. These rate constants were used in a coupled kinetic equilibrium numerical model where the ligand to iron ratio (TOTL:TOTFe) and pH were varied to evaluate the effect on the FeII oxidation rate. Overall, increasing TOTL:TOTFe for EGTA and TMDTA enhances FeII oxidation rates at lower pH and inhibits FeII oxidation rates at higher pH. Finally, this work demonstrates that the rate of FeII oxidation is very sensitive to the identity and structure of the polyaminocarboxylate chelating agent, which has implications for any metal or organic chemical that reacts either directly or indirectly with iron.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19780009204','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19780009204"><span>Phase relations in the Fe-Ni-Cr-S system and the sulfidation of an austenitic stainless steel</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Jacob, K. T.; Rao, D. B.; Nelson, H. G.</p> <p>1977-01-01</p> <p>The stability fields of various sulfide phases that form on Fe-Cr, Fe-Ni, Ni-Cr and Fe-Cr-Ni alloys were developed as a function of temperature and the partial pressure of sulfur. The calculated stability fields in the ternary system were displayed on plots of log P sub S sub 2 versus the conjugate extensive variable which provides a better framework for following the sulfidation of Fe-Cr-Ni alloys at high temperatures. Experimental and estimated thermodynamic data were used in developing the sulfur potential diagrams. Current models and correlations were employed to estimate the unknown thermodynamic behavior of solid solutions of sulfides and to supplement the incomplete phase diagram data of geophysical literature. These constructed stability field diagrams were in excellent agreement with the sulfide phases and compositions determined during a sulfidation experiment.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1358507-modeling-ductile-phase-toughened-tungsten-plasma-facing-materials-progress-damage-finite-element-analysis-tungsten-copper-bend-bar-tests','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1358507-modeling-ductile-phase-toughened-tungsten-plasma-facing-materials-progress-damage-finite-element-analysis-tungsten-copper-bend-bar-tests"><span>Modeling Ductile-Phase Toughened Tungsten for Plasma-Facing Materials: Progress in Damage Finite Element Analysis of the Tungsten-Copper Bend Bar Tests</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Nguyen, Ba Nghiep; Henager, Charles H.; Kurtz, Richard J.</p> <p></p> <p>The objective of this study is to investigate the deformation behavior of ductile phase toughened W-composites such as W-Cu and W-Ni-Fe by means of a multiscale finite element model that involves a microstructural dual-phase model where the constituent phases (i.e., W, Cu, Ni-Fe) are finely discretized and are described by a continuum damage model. Such a model is suitable for modeling deformation, cracking, and crack bridging for W-Cu, W-Ni-Fe, and other ductile phase toughened W-composites, or more generally, any multi-phase composite structure where two or more phases undergo cooperative deformation in a composite system. Our current work focuses on simulatingmore » the response and damage development of the W-Cu specimen subjected to three-point bending.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/17591250','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/17591250"><span>[3-D finite element modeling of internal fixation of mandibular mental fracture and the design of boundary constraints].</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Luo, Xiaohui; Wang, Hang; Fan, Yubo</p> <p>2007-04-01</p> <p>This study was aimed to develop a 3-D finite element (3-D FE) model of the mental fractured mandible and design the boundary constrains. The CT images from a health volunteer were used as the original information and put into ANSYS program to build a 3-D FE model. The model of the miniplate and screw which were used for the internal fixation was established by Pro/E. The boundary constrains of different muscle loadings were used to simulate the 3 functional conditions of the mandible. A 3-D FE model of mental fractured mandible under the miniplate-screw internal fixation system was constructed. And by the boundary constraints, the 3 biting conditions were simulated and the model could serve as a foundation on which to analyze the biomechanical behavior of the fractured mandible.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JTST...27..769W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JTST...27..769W"><span>Statistical Optimization of Reactive Plasma Cladding to Synthesize a WC-Reinforced Fe-Based Alloy Coating</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, Miqi; Zhou, Zehua; Wu, Lintao; Ding, Ying; Xu, Feilong; Wang, Zehua</p> <p>2018-04-01</p> <p>A new compound Fe-W-C powder for reactive plasma cladding was fabricated by precursor carbonization process using sucrose as a precursor. The application of quadratic general rotary unitized design was highlighted to develop a mathematical model to predict and accomplish the desired surface hardness of plasma-cladded coating. The microstructure and microhardness of the coating with optimal parameters were also investigated. According to the developed empirical model, the optimal process parameters were determined as follows: 1.4 for C/W atomic ratio, 20 wt.% for W content, 130 A for scanning current and 100 mm/min (1.67 mm/s) for scanning rate. The confidence level of the model was 99% according to the results of the F-test and lack-of-fit test. Microstructural study showed that the dendritic structure was comprised of a mechanical mixture of α-Fe and carbides, while the interdendritic structure was a eutectic of α-Fe and carbides in the composite coating with optimal parameters. WC phase generation can be confirmed from the XRD pattern. Due to good preparation parameters, the average microhardness of cladded coating can reach 1120 HV0.1, which was four times the substrate microhardness.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29512506','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29512506"><span>Automation of a DXA-based finite element tool for clinical assessment of hip fracture risk.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Luo, Yunhua; Ahmed, Sharif; Leslie, William D</p> <p>2018-03-01</p> <p>Finite element analysis of medical images is a promising tool for assessing hip fracture risk. Although a number of finite element models have been developed for this purpose, none of them have been routinely used in clinic. The main reason is that the computer programs that implement the finite element models have not been completely automated, and heavy training is required before clinicians can effectively use them. By using information embedded in clinical dual energy X-ray absorptiometry (DXA), we completely automated a DXA-based finite element (FE) model that we previously developed for predicting hip fracture risk. The automated FE tool can be run as a standalone computer program with the subject's raw hip DXA image as input. The automated FE tool had greatly improved short-term precision compared with the semi-automated version. To validate the automated FE tool, a clinical cohort consisting of 100 prior hip fracture cases and 300 matched controls was obtained from a local community clinical center. Both the automated FE tool and femoral bone mineral density (BMD) were applied to discriminate the fracture cases from the controls. Femoral BMD is the gold standard reference recommended by the World Health Organization for screening osteoporosis and for assessing hip fracture risk. The accuracy was measured by the area under ROC curve (AUC) and odds ratio (OR). Compared with femoral BMD (AUC = 0.71, OR = 2.07), the automated FE tool had a considerably improved accuracy (AUC = 0.78, OR = 2.61 at the trochanter). This work made a large step toward applying our DXA-based FE model as a routine clinical tool for the assessment of hip fracture risk. Furthermore, the automated computer program can be embedded into a web-site as an internet application. Copyright © 2017 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5101024','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5101024"><span>Finite Element Model of the Knee for Investigation of Injury Mechanisms: Development and Validation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Kiapour, Ali; Kiapour, Ata M.; Kaul, Vikas; Quatman, Carmen E.; Wordeman, Samuel C.; Hewett, Timothy E.; Demetropoulos, Constantine K.; Goel, Vijay K.</p> <p>2014-01-01</p> <p>Multiple computational models have been developed to study knee biomechanics. However, the majority of these models are mainly validated against a limited range of loading conditions and/or do not include sufficient details of the critical anatomical structures within the joint. Due to the multifactorial dynamic nature of knee injuries, anatomic finite element (FE) models validated against multiple factors under a broad range of loading conditions are necessary. This study presents a validated FE model of the lower extremity with an anatomically accurate representation of the knee joint. The model was validated against tibiofemoral kinematics, ligaments strain/force, and articular cartilage pressure data measured directly from static, quasi-static, and dynamic cadaveric experiments. Strong correlations were observed between model predictions and experimental data (r > 0.8 and p < 0.0005 for all comparisons). FE predictions showed low deviations (root-mean-square (RMS) error) from average experimental data under all modes of static and quasi-static loading, falling within 2.5 deg of tibiofemoral rotation, 1% of anterior cruciate ligament (ACL) and medial collateral ligament (MCL) strains, 17 N of ACL load, and 1 mm of tibiofemoral center of pressure. Similarly, the FE model was able to accurately predict tibiofemoral kinematics and ACL and MCL strains during simulated bipedal landings (dynamic loading). In addition to minimal deviation from direct cadaveric measurements, all model predictions fell within 95% confidence intervals of the average experimental data. Agreement between model predictions and experimental data demonstrates the ability of the developed model to predict the kinematics of the human knee joint as well as the complex, nonuniform stress and strain fields that occur in biological soft tissue. Such a model will facilitate the in-depth understanding of a multitude of potential knee injury mechanisms with special emphasis on ACL injury. PMID:24763546</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015AIPC.1703f0017N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015AIPC.1703f0017N"><span>Development of the software tool for generation and visualization of the finite element head model with bone conduction sounds</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Nikolić, Dalibor; Milošević, Žarko; Saveljić, Igor; Filipović, Nenad</p> <p>2015-12-01</p> <p>Vibration of the skull causes a hearing sensation. We call it Bone Conduction (BC) sound. There are several investigations about transmission properties of bone conducted sound. The aim of this study was to develop a software tool for easy generation of the finite element (FE) model of the human head with different materials based on human head anatomy and to calculate sound conduction through the head. Developed software tool generates a model in a few steps. The first step is to do segmentation of CT medical images (DICOM) and to generate a surface mesh files (STL). Each STL file presents a different layer of human head with different material properties (brain, CSF, different layers of the skull bone, skin, etc.). The next steps are to make tetrahedral mesh from obtained STL files, to define FE model boundary conditions and to solve FE equations. This tool uses PAK solver, which is the open source software implemented in SIFEM FP7 project, for calculations of the head vibration. Purpose of this tool is to show impact of the bone conduction sound of the head on the hearing system and to estimate matching of obtained results with experimental measurements.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012PhDT.......348S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012PhDT.......348S"><span>Electron density determination and bonding in tetragonal binary intermetallics by convergent beam electron diffraction</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sang, Xiahan</p> <p></p> <p>Intermetallics offer unique property combinations often superior to those of more conventional solid solution alloys of identical composition. Understanding of bonding in intermetallics would greatly accelerate development of intermetallics for advanced and high performance engineering applications. Tetragonal intermetallics L10 ordered TiAl, FePd and FePt are used as model systems to experimentally measure their electron densities using quantitative convergent beam electron diffraction (QCBED) method and then compare details of the 3d-4d (FePd) and 3d-5d (FePt) electron interactions to elucidate their role on properties of the respective ferromagnetic L10-ordered intermetallics FePd and FePt. A new multi-beam off-zone axis condition QCBED method has been developed to increase sensitivity of CBED patterns to change of structure factors and the anisotropic Debye-Waller (DW) factors. Unprecedented accuracy and precision in structure and DW factor measurements has been achieved by acquiring CBED patterns using beam-sample geometry that ensures strong dynamical interaction between the fast electrons and the periodic potential in the crystalline samples. This experimental method has been successfully applied to diamond cubic Si, and chemically ordered B2 cubic NiAl, tetragonal L10 ordered TiAl and FePd. The accurate and precise experimental DW and structure factors for L10 TiAl and FePd allow direct evaluation of computer calculations using the current state of the art density functional theory (DFT) based electron structure modeling. The experimental electron density difference map of L1 0 TiAl shows that the DFT calculations describe bonding to a sufficient accuracy for s- and p- electrons interaction, e. g., the Al-layer. However, it indicate significant quantitative differences to the experimental measurements for the 3d-3d interactions of the Ti atoms, e.g. in the Ti layers. The DFT calculations for L10 FePd also show that the current DFT approximations insufficiently describe the interaction between Fe-Fe (3d-3d), Fe-Pd (3d-4d) and Pd-Pd (4d-4d) electrons, which indicates the necessity to evaluate applicability of different DFT approximations, and also provides experimental data for the development of new DFT approximation that better describes transition metal based intermetallic systems.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li class="active"><span>6</span></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_6 --> <div id="page_7" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li class="active"><span>7</span></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="121"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JNR....19...39W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JNR....19...39W"><span>Using PEGylated iron oxide nanoparticles with ultrahigh relaxivity for MR imaging of an orthotopic model of human hepatocellular carcinoma</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, Ruizhi; Hu, Yong; Yang, Yuchan; Xu, Wei; Yao, Mingrong; Gao, Dongmei; Zhao, Yan; Zhan, Songhua; Shi, Xiangyang; Wang, Xiaolin</p> <p>2017-02-01</p> <p>Hepatocellular carcinoma (HCC) is the most common type of liver malignant tumor, which is often diagnosed in advanced stages, resulting in low survival rate. The sensitive diagnosis of early HCC presents a great interest. Herein, a novel superparamagnetic contrast agent composed of iron oxide nanoparticles is reported. Firstly, polyethyleneimine-coated iron oxide (Fe3O4@PEI) nanoparticles (NPs) were synthesized via a mild reduction route, followed by their modification of polyethylene glycol monomethyl ether ( mPEG-COOH) via 1-ethyl-3-(3-(dimethylamino)propyl) carbodiimide hydrochloride coupling chemistry. After acetylation of the remaining PEI amines, the PEGylated Fe3O4 (Fe3O4@PEI.Ac- mPEG-COOH) NPs were successively characterized via different techniques. The Fe3O4@PEI.Ac- mPEG-COOH probes with an Fe3O4 NP size of 9 nm are water dispersible and cytocompatible within the given concentration range. The percentages of PEI and m-PEG-COOH on the particles surface are calculated to be 15.5 and 7.2%, respectively. Prior to the administration of Fe3O4@PEI.Ac- mPEG-COOH NPs of ultrahigh r 2 relaxivity (461.29 mM-1 s-1) via tail intravenous injection for MR imaging of HCC, the orthotopic model of HCC was established in the nude mice by surgical transplantation with HCCLM3 cells. The analysis of MR signal intensity (SI) in the orthotopic tumor model demonstrated that the developed Fe3O4@PEI.Ac- mPEG-COOH NPs were able to infiltrate into the tumor area through the enhanced permeability and retention (EPR) effect reaching the bottom at 2 h postinjection. The developed Fe3O4@PEI.Ac- mPEG-COOH NPs may be further applied for theranostics of different diseases through combing various therapeutic agents.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28668185','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28668185"><span>An automated method to morph finite element whole-body human models with a wide range of stature and body shape for both men and women.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zhang, Kai; Cao, Libo; Fanta, Abeselom; Reed, Matthew P; Neal, Mark; Wang, Jenne-Tai; Lin, Chin-Hsu; Hu, Jingwen</p> <p>2017-07-26</p> <p>Field data analyses have shown that small female, obese, and/or older occupants are at increased risks of death and serious injury in motor-vehicle crashes compared with mid-size young men. The current adult finite element (FE) human models represent occupants in the same three body sizes (large male, mid-size male, and small female) as those for the contemporary adult crash dummies. Further, the time needed to develop an FE human model using the traditional method is measured in months or even years. In the current study, an improved regional mesh morphing method based on landmark-based radial basis function (RBF) interpolation was developed to rapidly morph a mid-size male FE human model into different geometry targets. A total of 100 human models with a wide range of human attributes were generated. A pendulum chest impact condition was applied to each model as an initial assessment of the resulting variability in response. The morphed models demonstrated mesh quality similar to the baseline model. The peak impact forces and chest deflections in the chest pendulum impacts varied substantially with different models, supportive of consideration of population variation in evaluating the occupant injury risks. The method developed in this study will enable future safety design optimizations targeting at various vulnerable populations that cannot be considered with the current models. Copyright © 2017 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017APS..MARB38003M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017APS..MARB38003M"><span>A microscopic solution to the magnetic detwinning mystery in EuFe2As2</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Maiwald, J.; Mazin, I. I.; Nandi, S.; Xiao, Y.; Gegenwart, P.</p> <p></p> <p>One of the greatest recent advances in studying nematic phenomena in Fe-based superconductors was the mechanical detwinning of the 122-family compounds. Unfortunately, these techniques generate considerable stress in the investigated samples, which contaminates the results. Recently, we observed that a minuscule magnetic field of the order of 0.1 T irreversibly and persistently detwins EuFe2As2, opening an entirely new avenue for addressing nematicity. However, further development was hindered by the absence of a microscopic theory explaining this magnetic detwinning. In fact, Eu2+ has zero orbital moment and does not couple to the lattice, and its exchange coupling with the Fe sublattice cancels by symmetry. Moreover, further increase of the field to 1 T leads to a reorientation of Fe domains, while even larger fields 10 T reorient the domains once again. We will present a new microscopic model, based on a sizable biquadratic coupling between the Fe 3 d and Eu 4 f moments. This model quantitatively explains our old and new magnetization and neutron diffraction data, thus removing the veil of mystery and finally opening the door to full-scale research into magnetic detwinning and nematicity in Fe-based superconductors.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010GeCoA..74.2257S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010GeCoA..74.2257S"><span>Goethite surface reactivity: III. Unifying arsenate adsorption behavior through a variable crystal face - Site density model</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Salazar-Camacho, Carlos; Villalobos, Mario</p> <p>2010-04-01</p> <p>We developed a model that describes quantitatively the arsenate adsorption behavior for any goethite preparation as a function of pH and ionic strength, by using one basic surface arsenate stoichiometry, with two affinity constants. The model combines a face distribution-crystallographic site density model for goethite with tenets of the Triple Layer and CD-MUSIC surface complexation models, and is self-consistent with its adsorption behavior towards protons, electrolytes, and other ions investigated previously. Five different systems of published arsenate adsorption data were used to calibrate the model spanning a wide range of chemical conditions, which included adsorption isotherms at different pH values, and adsorption pH-edges at different As(V) loadings, both at different ionic strengths and background electrolytes. Four additional goethite-arsenate systems reported with limited characterization and adsorption data were accurately described by the model developed. The adsorption reaction proposed is: lbond2 FeOH +lbond2 SOH +AsO43-+H→lbond2 FeOAsO3[2-]…SOH+HO where lbond2 SOH is an adjacent surface site to lbond2 FeOH; with log K = 21.6 ± 0.7 when lbond2 SOH is another lbond2 FeOH, and log K = 18.75 ± 0.9, when lbond2 SOH is lbond2 Fe 2OH. An additional small contribution of a protonated complex was required to describe data at low pH and very high arsenate loadings. The model considered goethites above 80 m 2/g as ideally composed of 70% face (1 0 1) and 30% face (0 0 1), resulting in a site density for lbond2 FeOH and for lbond2 Fe 3OH of 3.125/nm 2 each. Below 80 m 2/g surface capacity increases progressively with decreasing area, which was modeled by considering a progressively increasing proportion of faces (0 1 0)/(1 0 1), because face (0 1 0) shows a much higher site density of lbond2 FeOH groups. Computation of the specific proportion of faces, and thus of the site densities for the three types of crystallographic surface groups present in goethite, may be performed for each preparation either by experimental determination of site saturation by an index ion (e.g., chromate), or by achieving congruency of proton adsorption data with those of ideal goethites when plotted as percentage of proton-reactive ( lbond2 FeOH + lbond2 Fe 3OH) sites occupied. The surface arsenate complexes proposed additionally explained: (1) the higher affinity of goethite for As(V) than for Cr(VI) at high pH, and thus the gentle slope of the arsenate pH adsorption edges; and (2) the lower adsorption capacity for As(V) than for Cr(VI) at low pH on low-surface area goethites, through incomplete lbond2 FeOH site occupancy of As(V). The model is very promising as a practical means of predicting the adsorption behavior of arsenate on any goethite preparation, and may extend to predictive capabilities for adsorption behavior of many other relevant oxyanions, as well as for explaining differences in ligand-promoted surface transformation processes on goethite as a function of particle size.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19195422','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19195422"><span>The effect of dietary iron intake on the development of iron overload among homozygotes for haemochromatosis.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Tao, Min; Pelletier, David L</p> <p>2009-10-01</p> <p>To quantify the role of dietary Fe in total body Fe (TBI) accumulation among homozygotes for the HFE gene associated with haemochromatosis. A Monte Carlo model was built to simulate Fe accumulation based on findings from human feeding experiments and national dietary surveys. A hypothetical cohort of 1000 homozygotes with starting age 25 years was used in 39-year simulations. The impact of reducing dietary Fe intake on Fe accumulation was tested. In the baseline model without any dietary intervention, by age 64, the percentage of males with TBI > 10 g, >15 g and >20 g was 93.2%, 49.6% and 14.7%, respectively. When the Fe intake of individuals in the cohort was reduced to < or =200% of the recommended dietary allowance (RDA), the corresponding percentages were 92.0%, 40.5% and 10.2%, respectively. The corresponding figures were 91.0%, 40.0% and 9.3% for Fe defortification and 70.3%, 21.3% and 4.1% when Fe intake was capped at 100% RDA. Similar trends were seen with sexes combined, although the impact of interventions was less. Sensitivity analysis revealed that the rate of Fe accumulation and the impact of dietary interventions are highly dependent on assumptions concerning Fe absorption rates. Variation in Fe intake as currently observed in the USA contributes to variation in Fe accumulation among homozygotes, when continued over an extended period. Lifelong dietary habits and national fortification policy can affect the rate of Fe accumulation, although the magnitude of the effect varies by gender, the TBI level of interest and factors affecting the Fe absorption rate.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3477701','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3477701"><span>Finite element modeling of mitral leaflet tissue using a layered shell approximation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Ratcliffe, Mark B.; Guccione, Julius M.</p> <p>2012-01-01</p> <p>The current study presents a finite element model of mitral leaflet tissue, which incorporates the anisotropic material response and approximates the layered structure. First, continuum mechanics and the theory of layered composites are used to develop an analytical representation of membrane stress in the leaflet material. This is done with an existing anisotropic constitutive law from literature. Then, the concept is implemented in a finite element (FE) model by overlapping and merging two layers of transversely isotropic membrane elements in LS-DYNA, which homogenizes the response. The FE model is then used to simulate various biaxial extension tests and out-of-plane pressure loading. Both the analytical and FE model show good agreement with experimental biaxial extension data, and show good mutual agreement. This confirms that the layered composite approximation presented in the current study is able to capture the exponential stiffening seen in both the circumferential and radial directions of mitral leaflets. PMID:22971896</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JMEP..tmp..180A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JMEP..tmp..180A"><span>Creep Behavior of ABS Polymer in Temperature-Humidity Conditions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>An, Teagen; Selvaraj, Ramya; Hong, Seokmoo; Kim, Naksoo</p> <p>2017-04-01</p> <p>Acrylonitrile-Butadiene-Styrene (ABS), also known as a thermoplastic polymer, is extensively utilized for manufacturing home appliances products as it possess impressive mechanical properties, such as, resistance and toughness. However, the aforementioned properties are affected by operating temperature and atmosphere humidity due to the viscoelasticity property of an ABS polymer material. Moreover, the prediction of optimum working conditions are the little challenging task as it influences the final properties of product. This present study aims to develop the finite element (FE) models for predicting the creep behavior of an ABS polymeric material. In addition, the material constants, which represent the creep properties of an ABS polymer material, were predicted with the help of an interpolation function. Furthermore, a comparative study has been made with experiment and simulation results to verify the accuracy of developed FE model. The results showed that the predicted value from FE model could agree well with experimental data as well it can replicate the actual creep behavior flawlessly.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27389123','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27389123"><span>Finite Element Analysis of the Effect of Epidural Adhesions.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Lee, Nam; Ji, Gyu Yeul; Yi, Seong; Yoon, Do Heum; Shin, Dong Ah; Kim, Keung Nyun; Ha, Yoon; Oh, Chang Hyun</p> <p>2016-07-01</p> <p>It is well documented that epidural adhesion is associated with spinal pain. However, the underlying mechanism of spinal pain generation by epidural adhesion has not yet been elucidated. To elucidate the underlying mechanism of spinal pain generation by epidural adhesion using a two-dimensional (2D) non-linear finite element (FE) analysis. A finite element analysis. A two-dimensional nonlinear FE model of the herniated lumbar disc on L4/5 with epidural adhesion. A two-dimensional nonlinear FE model of the lumbar spine was developed, consisting of intervertebral discs, dura, spinal nerve, and lamina. The annulus fibrosus and nucleus pulpous were modeled as hyperelastic using the Mooney-Rivlin equation. The FE mesh was generated and analyzed using Abaqus (ABAQUS 6.13.; Hibbitt, Karlsson & Sorenson, Inc., Providence, RI, USA). Epidural adhesion was simulated as rough contact, in which no slip occurred once two surfaces were in contact, between the dura mater and posterior annulus fibrosus. The FE model of adhesion showed significant stress concentration in the spinal nerves, especially on the dorsal root ganglion (DRG). The stress concentration was caused by the lack of adaptive displacement between the dura mater and posterior annulus fibrosus. The peak von Mises stress was higher in the epidural adhesion model (Adhesion, 0.67 vs. Control, 0.46). In the control model, adaptive displacement was observed with decreased stress in the spinal nerve and DRG (with adhesion, 2.59 vs. without adhesion, 3.58, P < 0.00). This study used a 2D non-linear FE model, which simplifies the 3D nature of the human intervertebral disc. In addition, this 2D non-linear FE model has not yet been validated. The current study clearly demonstrated that epidural adhesion causes significantly increased stress in the spinal nerves, especially at the DRG. We believe that the increased stress on the spinal nerve might elicit more pain under similar magnitudes of lumbar disc protrusion.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27760408','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27760408"><span>A finite element model of a six-year-old child for simulating pedestrian accidents.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Meng, Yunzhu; Pak, Wansoo; Guleyupoglu, Berkan; Koya, Bharath; Gayzik, F Scott; Untaroiu, Costin D</p> <p>2017-01-01</p> <p>Child pedestrian protection deserves more attention in vehicle safety design since they are the most vulnerable road users who face the highest mortality rate. Pediatric Finite Element (FE) models could be used to simulate and understand the pedestrian injury mechanisms during crashes in order to mitigate them. Thus, the objective of the study was to develop a computationally efficient (simplified) six-year-old (6YO-PS) pedestrian FE model and validate it based on the latest published pediatric data. The 6YO-PS FE model was developed by morphing the existing GHBMC adult pedestrian model. Retrospective scan data were used to locally adjust the geometry as needed for accuracy. Component test simulations focused only the lower extremities and pelvis, which are the first body regions impacted during pedestrian accidents. Three-point bending test simulations were performed on the femur and tibia with adult material properties and then updated using child material properties. Pelvis impact and knee bending tests were also simulated. Finally, a series of pediatric Car-to-Pedestrian Collision (CPC) were simulated with pre-impact velocities ranging from 20km/h up to 60km/h. The bone models assigned pediatric material properties showed lower stiffness and a good match in terms of fracture force to the test data (less than 6% error). The pelvis impact force predicted by the child model showed a similar trend with test data. The whole pedestrian model was stable during CPC simulations and predicted common pedestrian injuries. Overall, the 6YO-PS FE model developed in this study showed good biofidelity at component level (lower extremity and pelvis) and stability in CPC simulations. While more validations would improve it, the current model could be used to investigate the lower limb injury mechanisms and in the prediction of the impact parameters as specified in regulatory testing protocols. Copyright © 2016 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MAMMP...3...14S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MAMMP...3...14S"><span>Modelling low velocity impact induced damage in composite laminates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Shi, Yu; Soutis, Constantinos</p> <p>2017-12-01</p> <p>The paper presents recent progress on modelling low velocity impact induced damage in fibre reinforced composite laminates. It is important to understand the mechanisms of barely visible impact damage (BVID) and how it affects structural performance. To reduce labour intensive testing, the development of finite element (FE) techniques for simulating impact damage becomes essential and recent effort by the composites research community is reviewed in this work. The FE predicted damage initiation and propagation can be validated by Non Destructive Techniques (NDT) that gives confidence to the developed numerical damage models. A reliable damage simulation can assist the design process to optimise laminate configurations, reduce weight and improve performance of components and structures used in aircraft construction.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3294478','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3294478"><span>Characteristics of the Freshwater Cyanobacterium Microcystis aeruginosa Grown in Iron-Limited Continuous Culture</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Dang, T. C.; Fujii, M.; Rose, A. L.; Bligh, M.</p> <p>2012-01-01</p> <p>A continuous culturing system (chemostat) made of metal-free materials was successfully developed and used to maintain Fe-limited cultures of Microcystis aeruginosa PCC7806 at nanomolar iron (Fe) concentrations (20 to 50 nM total Fe). EDTA was used to maintain Fe in solution, with bioavailable Fe controlled by absorption of light by the ferric EDTA complex and resultant reduction of Fe(III) to Fe(II). A kinetic model describing Fe transformations and biological uptake was applied to determine the biologically available form of Fe (i.e., unchelated ferrous iron) that is produced by photoreductive dissociation of the ferric EDTA complex. Prediction by chemostat theory modified to account for the light-mediated formation of bioavailable Fe rather than total Fe was in good agreement with growth characteristics of M. aeruginosa under Fe limitation. The cellular Fe quota increased with increasing dilution rates in a manner consistent with the Droop theory. Short-term Fe uptake assays using cells maintained at steady state indicated that M. aeruginosa cells vary their maximum Fe uptake rate (ρmax) depending on the degree of Fe stress. The rate of Fe uptake was lower for cells grown under conditions of lower Fe availability (i.e., lower dilution rate), suggesting that cells in the continuous cultures adjusted to Fe limitation by decreasing ρmax while maintaining a constant affinity for Fe. PMID:22210212</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MS%26E..280a2021E','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MS%26E..280a2021E"><span>An Investigation and Prediction of Springback of Sheet Metals under Cold Forming Condition</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Elsayed, A.; Mohamed, M.; Shazly, M.; Hegazy, A.</p> <p>2017-12-01</p> <p>Low formability and springback especially at room temperature are known to be major obstacles to advancements in sheet metal forming industries. The integration of numerical simulation within the R&D activities of the automotive industries provides a significant development in overcoming these drawbacks. The aim of the present work is to model and predict the springback of a Galvanized low carbon steel automotive panel part. This part suffers from both positive and negative springback which physically measured using CMM. The objective is to determine the suitable forming process parameters that minimize and compensate the springback through robust FE model. The analysis of the springback was carried out following (Isotropic model and Yoshida - Uemori model) which are calibrated through cyclic stress strain curve. The material data of the Galvanized low carbon steel was implemented via lookup tables in the commercial finite element software Pam-Stamp(TM). Firstly, the FE model was validated using the deformed part which suffers from springback problem at the same forming condition. The FE results were compared with the measured experimental trails providing very good agreement. Secondly, the validated FE model was used to determine the suitable forming parameters which could minimise the springback of the deformed part.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015MMTA...46.4095R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015MMTA...46.4095R"><span>The Influence of Welding Parameters on the Nugget Formation of Resistance Spot Welding of Inconel 625 Sheets</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rezaei Ashtiani, Hamid Reza; Zarandooz, Roozbeh</p> <p>2015-09-01</p> <p>A 2D axisymmetric electro-thermo-mechanical finite element (FE) model is developed to investigate the effect of current intensity, welding time, and electrode tip diameter on temperature distributions and nugget size in resistance spot welding (RSW) process of Inconel 625 superalloy sheets using ABAQUS commercial software package. The coupled electro-thermal analysis and uncoupled thermal-mechanical analysis are used for modeling process. In order to improve accuracy of simulation, material properties including physical, thermal, and mechanical properties have been considered to be temperature dependent. The thickness and diameter of computed weld nuggets are compared with experimental results and good agreement is observed. So, FE model developed in this paper provides prediction of quality and shape of the weld nuggets and temperature distributions with variation of each process parameter, suitably. Utilizing this FE model assists in adjusting RSW parameters, so that expensive experimental process can be avoided. The results show that increasing welding time and current intensity lead to an increase in the nugget size and electrode indentation, whereas increasing electrode tip diameter decreases nugget size and electrode indentation.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23683907','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23683907"><span>Finite element analysis of pedestrian lower limb fractures by direct force: the result of being run over or impact?</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Li, Zhengdong; Zou, Donghua; Liu, Ningguo; Zhong, Liangwei; Shao, Yu; Wan, Lei; Huang, Ping; Chen, Yijiu</p> <p>2013-06-10</p> <p>The elucidation and prediction of the biomechanics of lower limb fractures could serve as a useful tool in forensic practices. Finite element (FE) analysis could potentially help in the understanding of the fracture mechanisms of lower limb fractures frequently caused by car-pedestrian accidents. Our aim was (1) to develop and validate a FE model of the human lower limb, (2) to assess the biomechanics of specific injuries concerning run-over and impact loading conditions, and (3) to reconstruct one real car-pedestrian collision case using the model created in this study. We developed a novel lower limb FE model and simulated three different loading scenarios. The geometry of the model was reconstructed using Mimics 13.0 based on computed tomography (CT) scans from an actual traffic accident. The material properties were based upon a synthesis of data found in published literature. The FE model validation and injury reconstruction were conducted using the LS-DYNA code. The FE model was validated by a comparison of the simulation results of three-point bending, overall lateral impact tests and published postmortem human surrogate (PMHS) results. Simulated loading scenarios of running-over the thigh with a wheel, the impact on the upper leg, and impact on the lower thigh were conducted with velocities of 10 m/s, 20 m/s, and 40 m/s, respectively. We compared the injuries resulting from one actual case with the simulated results in order to explore the possible fracture bio-mechanism. The peak fracture forces, maximum bending moments, and energy lost ratio exhibited no significant differences between the FE simulations and the literature data. Under simulated run-over conditions, the segmental fracture pattern was formed and the femur fracture patterns and mechanisms were consistent with the actual injury features of the case. Our study demonstrated that this simulation method could potentially be effective in identifying forensic cases and exploring of the injury mechanisms of lower limb fractures encountered due to inflicted lesions. This model can also help to distinguish between possible and impossible scenarios. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1990CoMP..104..645G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1990CoMP..104..645G"><span>Thermodynamic properties of hematite — ilmenite — geikielite solid solutions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ghiorso, Mark S.</p> <p>1990-11-01</p> <p>A solution model is developed for rhombohedral oxide solid solutions having compositions within the ternary system ilmenite [(Fe{2+/ s }Ti{4+/1- s }) A (Fe{2+/1- s }Ti{4+/s}) B O3]-geikielite [(Mg{2+/ t }Ti{4+/1- t }) A (Mg{2+/1- t }Ti{4+/ t }) B O3]-hematite [(Fe3+) A (Fe3+) B O3]. The model incorporates an expression for the configurational entropy of solution, which accounts for varying degrees of structural long-range order (0≤s, t≤1) and utilizes simple regular solution theory to characterize the excess Gibbs free energy of mixing within the five-dimensional composition-ordering space. The 13 model parameters are calibrated from available data on: (1) the degree of long-range order and the composition-temperature dependence of theRbar 3c - Rbar 3 transition along the ilmenite-hematite binary join; (2) the compositions of coexisting olivine and rhombohedral oxide solid solutions close to the Mg-Fe2+ join; (3) the shape of the miscibility gap along the ilmenite-hematite join; (4) the compositions of coexisting spinel and rhombohedral oxide solid solutions along the Fe2+-Fe3+ join. In the course of calibration, estimates are obtained for the reference state enthalpy of formation of ulvöspinel and stoichiometric hematite (-1488.5 and -822.0 kJ/mol at 298 K and 1 bar, respectively). The model involves no excess entropies of mixing nor does it incorporate ternary interaction parameters. The formulation fits the available data and represents an internally consistent energetic model when used in conjuction with the standard state thermodynamic data set of Berman (1988) and the solution theory for orthopyroxenes, olivines and Fe-Mg titanomagnetite-aluminate-chromate spinels developed by Sack and Ghiorso (1989, 1990a, b). Calculated activity-composition relations for the end-members of the series, demonstrate the substantial degree of nonideality associated with interactions between the ordered and disordered structures and the dominant influence of the miscibility gap across much of the ternary system. The predicted shape of the miscibility gap, and the orientation of tie-lines relating the compositions of coexisting phases, display the effects of coupling between the excess enthalpy of solution and the degree of long-range order. One limb of the miscibility gap follows the composititiontemperature surface corresponding to the ternaryRbar 3 - Rbar 3c second-order transition.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016ApPhL.109t3110J','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016ApPhL.109t3110J"><span>Modeling Verwey transition temperature of Fe3O4 nanocrystals</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Jiang, Xiao bao; Xiao, Bei bei; Yang, Hong yu; Gu, Xiao yan; Sheng, Hong chao; Zhang, Xing hua</p> <p>2016-11-01</p> <p>The Verwey transition in nanoscale is an important physical property for Fe3O4 nanocrystals and has attracted extensive attention in recent years. In this work, an analytic thermodynamic model without any adjusting parameters is developed to estimate the size and shape effects on modulating the Verwey transition temperature of Fe3O4 nanocrystals. The results show that the Verwey transition temperature reduces with increasing shape parameter λ or decreasing size D. A good agreement between the prediction and the experimental data verified our physical insight that the Verwey transition of Fe3O4 can be directly related to the atomic thermal vibration. The results presented in this work will be of benefit to the understanding of the microscopic mechanism of the Verwey transition and the design of future generation switching and memory devices.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MMTB...48.1268S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MMTB...48.1268S"><span>Modeling of Fume Formation from Shielded Metal Arc Welding Process</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sivapirakasam, S. P.; Mohan, Sreejith; Santhosh Kumar, M. C.; Surianarayanan, M.</p> <p>2017-04-01</p> <p>In this study, a semi-empirical model of fume formation rate (FFR) from a shielded metal arc welding (SMAW) process has been developed. The model was developed for a DC electrode positive (DCEP) operation and involves the calculations of droplet temperature, surface area of the droplet, and partial vapor pressures of the constituents of the droplet to predict the FFR. The model was further extended for predicting FFR from nano-coated electrodes. The model estimates the FFR for Fe and Mn assuming constant proportion of other elements in the electrode. Fe FFR was overestimated, while Mn FFR was underestimated. The contribution of spatters and other mechanism in the arc responsible for fume formation were neglected. A good positive correlation was obtained between the predicted and experimental FFR values which highlighted the usefulness of the model.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://files.eric.ed.gov/fulltext/ED392958.pdf','ERIC'); return false;" href="http://files.eric.ed.gov/fulltext/ED392958.pdf"><span>Action Planning and Recording Achievement.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Green, Muriel</p> <p></p> <p>This document examines strategies and procedures that British further education (FE) colleges can use to develop and enhance systems and structures for guiding and supporting learners and learning. It is based on the findings of a field test of the Managing Learning model for planning and recording the process of FE students. First, the importance…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018SSCom.269...90H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018SSCom.269...90H"><span>Prediction on electronic structure of CH3NH3PbI3/Fe3O4 interfaces</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Hou, Xueyao; Wang, Xiaocha; Mi, Wenbo; Du, Zunfeng</p> <p>2018-01-01</p> <p>The interfacial electronic structures of CH3NH3PbI3(MAPbI3)/Fe3O4 heterostructures are predicted by density functional theory. Four models (MAI/FeBO, PbI2/FeBO, MAI/FeA and PbI2/FeA) are included. Especially, a half-metal to semiconductor transition of Fe3O4 appears in PbI2/FeA model. A series of electric field is added to PbI2/FeA model, and a direct-indirect bandgap transition of Fe3O4 appears at a 500-kV/cm field. The electric field can control the bandgap of Fe3O4 in PbI2/FeA model by modulating the hybridization. The prediction of spin-related bandgap characteristic in MAPbI3/Fe3O4 is meaningful for further study.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AIPC.1965k0008R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AIPC.1965k0008R"><span>Sensitivity analysis of pars-tensa young's modulus estimation using inverse finite-element modeling</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rohani, S. Alireza; Elfarnawany, Mai; Agrawal, Sumit K.; Ladak, Hanif M.</p> <p>2018-05-01</p> <p>Accurate estimates of the pars-tensa (PT) Young's modulus (EPT) are required in finite-element (FE) modeling studies of the middle ear. Previously, we introduced an in-situ EPT estimation technique by optimizing a sample-specific FE model to match experimental eardrum pressurization data. This optimization process requires choosing some modeling assumptions such as PT thickness and boundary conditions. These assumptions are reported with a wide range of variation in the literature, hence affecting the reliability of the models. In addition, the sensitivity of the estimated EPT to FE modeling assumptions has not been studied. Therefore, the objective of this study is to identify the most influential modeling assumption on EPT estimates. The middle-ear cavity extracted from a cadaveric temporal bone was pressurized to 500 Pa. The deformed shape of the eardrum after pressurization was measured using a Fourier transform profilometer (FTP). A base-line FE model of the unpressurized middle ear was created. The EPT was estimated using golden section optimization method, which minimizes the cost function comparing the deformed FE model shape to the measured shape after pressurization. The effect of varying the modeling assumptions on EPT estimates were investigated. This included the change in PT thickness, pars flaccida Young's modulus and possible FTP measurement error. The most influential parameter on EPT estimation was PT thickness and the least influential parameter was pars flaccida Young's modulus. The results of this study provide insight into how different parameters affect the results of EPT optimization and which parameters' uncertainties require further investigation to develop robust estimation techniques.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li class="active"><span>7</span></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_7 --> <div id="page_8" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li class="active"><span>8</span></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="141"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27393912','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27393912"><span>Development and validation of a generic finite element vehicle buck model for the analysis of driver rib fractures in real life nearside oblique frontal crashes.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Iraeus, Johan; Lindquist, Mats</p> <p>2016-10-01</p> <p>Frontal crashes still account for approximately half of all fatalities in passenger cars, despite several decades of crash-related research. For serious injuries in this crash mode, several authors have listed the thorax as the most important. Computer simulation provides an effective tool to study crashes and evaluate injury mechanisms, and using stochastic input data, whole populations of crashes can be studied. The aim of this study was to develop a generic buck model and to validate this model on a population of real-life frontal crashes in terms of the risk of rib fracture. The study was conducted in four phases. In the first phase, real-life validation data were derived by analyzing NASS/CDS data to find the relationship between injury risk and crash parameters. In addition, available statistical distributions for the parameters were collected. In the second phase, a generic parameterized finite element (FE) model of a vehicle interior was developed based on laser scans from the A2MAC1 database. In the third phase, model parameters that could not be found in the literature were estimated using reverse engineering based on NCAP tests. Finally, in the fourth phase, the stochastic FE model was used to simulate a population of real-life crashes, and the result was compared to the validation data from phase one. The stochastic FE simulation model overestimates the risk of rib fracture, more for young occupants and less for senior occupants. However, if the effect of underestimation of rib fractures in the NASS/CDS material is accounted for using statistical simulations, the risk of rib fracture based on the stochastic FE model matches the risk based on the NASS/CDS data for senior occupants. The current version of the stochastic model can be used to evaluate new safety measures using a population of frontal crashes for senior occupants. Copyright © 2016 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016MMTA...47.4625P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016MMTA...47.4625P"><span>Numerical Study of Microstructural Evolution During Homogenization of Al-Si-Mg-Fe-Mn Alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Priya, Pikee; Johnson, David R.; Krane, Matthew J. M.</p> <p>2016-09-01</p> <p>Microstructural evolution during homogenization of Al-Si-Mg-Fe-Mn alloys occurs in two stages at different length scales: while holding at the homogenization temperature (diffusion on the scale of the secondary dendrite arm spacing (SDAS) in micrometers) and during quenching to room temperature (dispersoid precipitation at the nanometer to submicron scale). Here a numerical study estimates microstructural changes during both stages. A diffusion-based model developed to simulate evolution at the SDAS length scale predicts homogenization times and microstructures matching experiments. That model is coupled with a Kampmann Wagner Neumann-based precipitate nucleation and growth model to study the effect of temperature, composition, as-cast microstructure, and cooling rates during posthomogenization quenching on microstructural evolution. A homogenization schedule of 853 K (580 °C) for 8 hours, followed by cooling at 250 K/h, is suggested to optimize microstructures for easier extrusion, consisting of minimal α-Al(FeMn)Si, no β-AlFeSi, and Mg2Si dispersoids <1 μm size.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4606192','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4606192"><span>Effects of the Variation in Brain Tissue Mechanical Properties on the Intracranial Response of a 6-Year-Old Child</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Cui, Shihai; Li, Haiyan; Li, Xiangnan; Ruan, Jesse</p> <p>2015-01-01</p> <p>Brain tissue mechanical properties are of importance to investigate child head injury using finite element (FE) method. However, these properties used in child head FE model normally vary in a large range in published literatures because of the insufficient child cadaver experiments. In this work, a head FE model with detailed anatomical structures is developed from the computed tomography (CT) data of a 6-year-old healthy child head. The effects of brain tissue mechanical properties on traumatic brain response are also analyzed by reconstruction of a head impact on engine hood according to Euro-NCAP testing regulation using FE method. The result showed that the variations of brain tissue mechanical parameters in linear viscoelastic constitutive model had different influences on the intracranial response. Furthermore, the opposite trend was obtained in the predicted shear stress and shear strain of brain tissues caused by the variations of mentioned parameters. PMID:26495031</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22098735-voxel-based-finite-element-model-prediction-bladder-deformation','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22098735-voxel-based-finite-element-model-prediction-bladder-deformation"><span>A voxel-based finite element model for the prediction of bladder deformation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Chai Xiangfei; Herk, Marcel van; Hulshof, Maarten C. C. M.</p> <p>2012-01-15</p> <p>Purpose: A finite element (FE) bladder model was previously developed to predict bladder deformation caused by bladder filling change. However, two factors prevent a wide application of FE models: (1) the labor required to construct a FE model with high quality mesh and (2) long computation time needed to construct the FE model and solve the FE equations. In this work, we address these issues by constructing a low-resolution voxel-based FE bladder model directly from the binary segmentation images and compare the accuracy and computational efficiency of the voxel-based model used to simulate bladder deformation with those of a classicalmore » FE model with a tetrahedral mesh. Methods: For ten healthy volunteers, a series of MRI scans of the pelvic region was recorded at regular intervals of 10 min over 1 h. For this series of scans, the bladder volume gradually increased while rectal volume remained constant. All pelvic structures were defined from a reference image for each volunteer, including bladder wall, small bowel, prostate (male), uterus (female), rectum, pelvic bone, spine, and the rest of the body. Four separate FE models were constructed from these structures: one with a tetrahedral mesh (used in previous study), one with a uniform hexahedral mesh, one with a nonuniform hexahedral mesh, and one with a low-resolution nonuniform hexahedral mesh. Appropriate material properties were assigned to all structures and uniform pressure was applied to the inner bladder wall to simulate bladder deformation from urine inflow. Performance of the hexahedral meshes was evaluated against the performance of the standard tetrahedral mesh by comparing the accuracy of bladder shape prediction and computational efficiency. Results: FE model with a hexahedral mesh can be quickly and automatically constructed. No substantial differences were observed between the simulation results of the tetrahedral mesh and hexahedral meshes (<1% difference in mean dice similarity coefficient to manual contours and <0.02 cm difference in mean standard deviation of residual errors). The average equation solving time (without manual intervention) for the first two types of hexahedral meshes increased to 2.3 h and 2.6 h compared to the 1.1 h needed for the tetrahedral mesh, however, the low-resolution nonuniform hexahedral mesh dramatically decreased the equation solving time to 3 min without reducing accuracy. Conclusions: Voxel-based mesh generation allows fast, automatic, and robust creation of finite element bladder models directly from binary segmentation images without user intervention. Even the low-resolution voxel-based hexahedral mesh yields comparable accuracy in bladder shape prediction and more than 20 times faster in computational speed compared to the tetrahedral mesh. This approach makes it more feasible and accessible to apply FE method to model bladder deformation in adaptive radiotherapy.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27281168','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27281168"><span>In situ remediation-released zero-valent iron nanoparticles impair soil ecosystems health: A C. elegans biomarker-based risk assessment.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Yang, Ying-Fei; Cheng, Yi-Hsien; Liao, Chung-Min</p> <p>2016-11-05</p> <p>There is considerable concern over the potential ecotoxicity to soil ecosystems posed by zero-valent iron nanoparticles (Fe(0) NPs) released from in situ environmental remediation. However, a lack of quantitative risk assessment has hampered the development of appropriate testing methods used in environmental applications. Here we present a novel, empirical approach to assess Fe(0) NPs-associated soil ecosystems health risk using the nematode Caenorhabditis elegans as a model organism. A Hill-based dose-response model describing the concentration-fertility inhibition relationships was constructed. A Weibull model was used to estimate thresholds as a guideline to protect C. elegans from infertility when exposed to waterborne or foodborne Fe(0) NPs. Finally, the risk metrics, exceedance risk (ER) and risk quotient (RQ) of Fe(0) NPs in various depths and distances from remediation sites can then be predicted. We showed that under 50% risk probability (ER=0.5), upper soil layer had the highest infertility risk (95% confidence interval: 13.18-57.40%). The margins of safety and acceptable criteria for soil ecosystems health for using Fe(0) NPs in field scale applications were also recommended. Results showed that RQs are larger than 1 in all soil layers when setting a stricter threshold of ∼1.02mgL(-1) of Fe(0) NPs. This C. elegans biomarker-based risk model affords new insights into the links between widespread use of Fe(0) NPs and environmental risk assessment and offers potential environmental implications of metal-based NPs for in situ remediation. Copyright © 2016 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JPS...315..331K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JPS...315..331K"><span>State of charge modeling of lithium-ion batteries using dual exponential functions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kuo, Ting-Jung; Lee, Kung-Yen; Huang, Chien-Kang; Chen, Jau-Horng; Chiu, Wei-Li; Huang, Chih-Fang; Wu, Shuen-De</p> <p>2016-05-01</p> <p>A mathematical model is developed by fitting the discharging curve of LiFePO4 batteries and used to investigate the relationship between the state of charge and the closed-circuit voltage. The proposed mathematical model consists of dual exponential terms and a constant term which can fit the characteristics of dual equivalent RC circuits closely, representing a LiFePO4 battery. One exponential term presents the stable discharging behavior and the other one presents the unstable discharging behavior and the constant term presents the cut-off voltage.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5845478','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5845478"><span>An eFTD-VP framework for efficiently generating patient-specific anatomically detailed facial soft tissue FE mesh for craniomaxillofacial surgery simulation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Zhang, Xiaoyan; Kim, Daeseung; Shen, Shunyao; Yuan, Peng; Liu, Siting; Tang, Zhen; Zhang, Guangming; Zhou, Xiaobo; Gateno, Jaime</p> <p>2017-01-01</p> <p>Accurate surgical planning and prediction of craniomaxillofacial surgery outcome requires simulation of soft tissue changes following osteotomy. This can only be achieved by using an anatomically detailed facial soft tissue model. The current state-of-the-art of model generation is not appropriate to clinical applications due to the time-intensive nature of manual segmentation and volumetric mesh generation. The conventional patient-specific finite element (FE) mesh generation methods are to deform a template FE mesh to match the shape of a patient based on registration. However, these methods commonly produce element distortion. Additionally, the mesh density for patients depends on that of the template model. It could not be adjusted to conduct mesh density sensitivity analysis. In this study, we propose a new framework of patient-specific facial soft tissue FE mesh generation. The goal of the developed method is to efficiently generate a high-quality patient-specific hexahedral FE mesh with adjustable mesh density while preserving the accuracy in anatomical structure correspondence. Our FE mesh is generated by eFace template deformation followed by volumetric parametrization. First, the patient-specific anatomically detailed facial soft tissue model (including skin, mucosa, and muscles) is generated by deforming an eFace template model. The adaptation of the eFace template model is achieved by using a hybrid landmark-based morphing and dense surface fitting approach followed by a thin-plate spline interpolation. Then, high-quality hexahedral mesh is constructed by using volumetric parameterization. The user can control the resolution of hexahedron mesh to best reflect clinicians’ need. Our approach was validated using 30 patient models and 4 visible human datasets. The generated patient-specific FE mesh showed high surface matching accuracy, element quality, and internal structure matching accuracy. They can be directly and effectively used for clinical simulation of facial soft tissue change. PMID:29027022</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29027022','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29027022"><span>An eFTD-VP framework for efficiently generating patient-specific anatomically detailed facial soft tissue FE mesh for craniomaxillofacial surgery simulation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zhang, Xiaoyan; Kim, Daeseung; Shen, Shunyao; Yuan, Peng; Liu, Siting; Tang, Zhen; Zhang, Guangming; Zhou, Xiaobo; Gateno, Jaime; Liebschner, Michael A K; Xia, James J</p> <p>2018-04-01</p> <p>Accurate surgical planning and prediction of craniomaxillofacial surgery outcome requires simulation of soft tissue changes following osteotomy. This can only be achieved by using an anatomically detailed facial soft tissue model. The current state-of-the-art of model generation is not appropriate to clinical applications due to the time-intensive nature of manual segmentation and volumetric mesh generation. The conventional patient-specific finite element (FE) mesh generation methods are to deform a template FE mesh to match the shape of a patient based on registration. However, these methods commonly produce element distortion. Additionally, the mesh density for patients depends on that of the template model. It could not be adjusted to conduct mesh density sensitivity analysis. In this study, we propose a new framework of patient-specific facial soft tissue FE mesh generation. The goal of the developed method is to efficiently generate a high-quality patient-specific hexahedral FE mesh with adjustable mesh density while preserving the accuracy in anatomical structure correspondence. Our FE mesh is generated by eFace template deformation followed by volumetric parametrization. First, the patient-specific anatomically detailed facial soft tissue model (including skin, mucosa, and muscles) is generated by deforming an eFace template model. The adaptation of the eFace template model is achieved by using a hybrid landmark-based morphing and dense surface fitting approach followed by a thin-plate spline interpolation. Then, high-quality hexahedral mesh is constructed by using volumetric parameterization. The user can control the resolution of hexahedron mesh to best reflect clinicians' need. Our approach was validated using 30 patient models and 4 visible human datasets. The generated patient-specific FE mesh showed high surface matching accuracy, element quality, and internal structure matching accuracy. They can be directly and effectively used for clinical simulation of facial soft tissue change.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22617229-statistical-theory-diffusion-concentrated-bcc-fcc-alloys-concentration-dependencies-diffusion-coefficients-bcc-alloys-fecu-femn-feni-fecr','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22617229-statistical-theory-diffusion-concentrated-bcc-fcc-alloys-concentration-dependencies-diffusion-coefficients-bcc-alloys-fecu-femn-feni-fecr"><span>Statistical theory of diffusion in concentrated bcc and fcc alloys and concentration dependencies of diffusion coefficients in bcc alloys FeCu, FeMn, FeNi, and FeCr</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Vaks, V. G.; Khromov, K. Yu., E-mail: khromov-ky@nrcki.ru; Pankratov, I. R.</p> <p>2016-07-15</p> <p>The statistical theory of diffusion in concentrated bcc and fcc alloys with arbitrary pairwise interatomic interactions based on the master equation approach is developed. Vacancy–atom correlations are described using both the second-shell-jump and the nearest-neighbor-jump approximations which are shown to be usually sufficiently accurate. General expressions for Onsager coefficients in terms of microscopic interatomic interactions and some statistical averages are given. Both the analytical kinetic mean-field and the Monte Carlo methods for finding these averages are described. The theory developed is used to describe sharp concentration dependencies of diffusion coefficients in several iron-based alloy systems. For the bcc alloys FeCu,more » FeMn, and FeNi, we predict the notable increase of the iron self-diffusion coefficient with solute concentration c, up to several times, even though values of c possible for these alloys do not exceed some percent. For the bcc alloys FeCr at high temperatures T ≳ 1400 K, we show that the very strong and peculiar concentration dependencies of both tracer and chemical diffusion coefficients observed in these alloys can be naturally explained by the theory, without invoking exotic models discussed earlier.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23810545','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23810545"><span>Modelling CEC variations versus structural iron reduction levels in dioctahedral smectites. Existing approaches, new data and model refinements.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hadi, Jebril; Tournassat, Christophe; Ignatiadis, Ioannis; Greneche, Jean Marc; Charlet, Laurent</p> <p>2013-10-01</p> <p>A model was developed to describe how the 2:1 layer excess negative charge induced by the reduction of Fe(III) to Fe(II) by sodium dithionite buffered with citrate-bicarbonate is balanced and applied to nontronites. This model is based on new experimental data and extends structural interpretation introduced by a former model [36-38]. The 2:1 layer negative charge increase due to Fe(III) to Fe(II) reduction is balanced by an excess adsorption of cations in the clay interlayers and a specific sorption of H(+) from solution. Prevalence of one compensating mechanism over the other is related to the growing lattice distortion induced by structural Fe(III) reduction. At low reduction levels, cation adsorption dominates and some of the incorporated protons react with structural OH groups, leading to a dehydroxylation of the structure. Starting from a moderate reduction level, other structural changes occur, leading to a reorganisation of the octahedral and tetrahedral lattice: migration or release of cations, intense dehydroxylation and bonding of protons to undersaturated oxygen atoms. Experimental data highlight some particular properties of ferruginous smectites regarding chemical reduction. Contrary to previous assumptions, the negative layer charge of nontronites does not only increase towards a plateau value upon reduction. A peak is observed in the reduction domain. After this peak, the negative layer charge decreases upon extended reduction (>30%). The decrease is so dramatic that the layer charge of highly reduced nontronites can fall below that of its fully oxidised counterpart. Furthermore, the presence of a large amount of tetrahedral Fe seems to promote intense clay structural changes and Fe reducibility. Our newly acquired data clearly show that models currently available in the literature cannot be applied to the whole reduction range of clay structural Fe. Moreover, changes in the model normalising procedure clearly demonstrate that the investigated low tetrahedral bearing nontronites (SWa-1, GAN and NAu-1) all exhibit the same behaviour at low reduction levels. Consequently, we restricted our model to the case of moderate reduction (<30%) in low tetrahedral Fe-bearing nontronites. Our adapted model provides the relative amounts of Na(+) (p) and H(+) (ni) cations incorporated in the structure as a function of the amount of Fe reduction. Two equations enable the investigated systems to be described: p=m/(1+Kr·ω·mrel) and ni=Kr·ω·m·mrel/(1+Kr·ω·mrel); where m is the Fe(II) content, mrel, the reduction level (m/mtot), ω, the cation exchange capacity (CEC, and Kr, an empirical constant specific to the system. Copyright © 2013 Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5332342','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5332342"><span>Finite Element Model and Validation of Nasal Tip Deformation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Manuel, Cyrus T; Harb, Rani; Badran, Alan; Ho, David; Wong, Brian JF</p> <p>2016-01-01</p> <p>Nasal tip mechanical stability is important for functional and cosmetic nasal airway surgery. Palpation of the nasal tip provides information on tip strength to the surgeon, though it is a purely subjective assessment. Providing a means to simulate nasal tip deformation with a validated model can offer a more objective approach in understanding the mechanics and nuances of the nasal tip support and eventual nasal mechanics as a whole. Herein we present validation of a finite element (FE) model of the nose using physical measurements recorded using an ABS plastic-silicone nasal phantom. Three-dimensional photogrammetry was used to capture the geometry of the phantom at rest and while under steady state load. The silicone used to make the phantom was mechanically tested and characterized using a linear elastic constitutive model. Surface point clouds of the silicone and FE model were compared for both the loaded and unloaded state. The average Hausdorff distance between actual measurements and FE simulations across the nose were 0.39mm ± 1.04 mm and deviated up to 2mm at the outermost boundaries of the model. FE simulation and measurements were in near complete agreement in the immediate vicinity of the nasal tip with millimeter accuracy. We have demonstrated validation of a two-component nasal FE model, which could be used to model more complex modes of deformation where direct measurement may be challenging. This is the first step in developing a nasal model to simulate nasal mechanics and ultimately the interaction between geometry and airflow. PMID:27633018</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27633018','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27633018"><span>Finite Element Model and Validation of Nasal Tip Deformation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Manuel, Cyrus T; Harb, Rani; Badran, Alan; Ho, David; Wong, Brian J F</p> <p>2017-03-01</p> <p>Nasal tip mechanical stability is important for functional and cosmetic nasal airway surgery. Palpation of the nasal tip provides information on tip strength to the surgeon, though it is a purely subjective assessment. Providing a means to simulate nasal tip deformation with a validated model can offer a more objective approach in understanding the mechanics and nuances of the nasal tip support and eventual nasal mechanics as a whole. Herein we present validation of a finite element (FE) model of the nose using physical measurements recorded using an ABS plastic-silicone nasal phantom. Three-dimensional photogrammetry was used to capture the geometry of the phantom at rest and while under steady state load. The silicone used to make the phantom was mechanically tested and characterized using a linear elastic constitutive model. Surface point clouds of the silicone and FE model were compared for both the loaded and unloaded state. The average Hausdorff distance between actual measurements and FE simulations across the nose were 0.39 ± 1.04 mm and deviated up to 2 mm at the outermost boundaries of the model. FE simulation and measurements were in near complete agreement in the immediate vicinity of the nasal tip with millimeter accuracy. We have demonstrated validation of a two-component nasal FE model, which could be used to model more complex modes of deformation where direct measurement may be challenging. This is the first step in developing a nasal model to simulate nasal mechanics and ultimately the interaction between geometry and airflow.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2702508','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2702508"><span>Finite Element Analysis of Stresses Developed in the Blood Sac of a Left Ventricular Assist Device</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Haut Donahue, T. L.; Dehlin, W.; Gillespie, J.; Weiss, W.J.; Rosenberg, G.</p> <p>2009-01-01</p> <p>The goal of this research is to develop a 3D finite element (FE) model of a left ventricular assist device (LVAD) to predict stresses in the blood sac. The hyperelastic stress-strain curves for the segmented poly(ether polyurethane urea) blood sac were determined in both tension and compression using a servo-hydraulic testing system at various strain rates. Over the range of strain rates studied, the sac was not strain rate sensitive, however the material response was different for tension versus compression. The experimental tension and compression properties were used in a FE model that consisted of the pusher plate, blood sac and pump case. A quasi-static analysis was used to allow for nonlinearities due to contact and material deformation. The 3D FE model showed that blood sac stresses are not adversely affected by the location of the inlet and outlet ports of the device and that over the systolic ejection phase of the simulation the prediction of blood sac stresses from the full 3D model and an axisymmetric model are the same. Minimizing stresses in the blood sac will increase the longevity of the blood sac in vivo. PMID:19131267</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1411232-solubility-model-ferrous-iron-hydroxide-hibbingite-siderite-chukanovite-high-saline-solutions-sodium-chloride-sodium-sulfate-sodium-carbonate','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1411232-solubility-model-ferrous-iron-hydroxide-hibbingite-siderite-chukanovite-high-saline-solutions-sodium-chloride-sodium-sulfate-sodium-carbonate"><span>Solubility Model for Ferrous Iron Hydroxide, Hibbingite, Siderite, and Chukanovite in High Saline Solutions of Sodium Chloride, Sodium Sulfate, and Sodium Carbonate</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Kim, Sungtae; Marrs, Cassandra; Nemer, Martin</p> <p></p> <p>Here, a solubility model is presented for ferrous iron hydroxide (Fe(OH) 2(s)), hibbingite (Fe 2Cl(OH) 3(s)), siderite (FeCO 3(s)), and chukanovite (Fe 2CO 3(OH) 2(s)). The Pitzer activity coefficient equation was utilized in developing the model to account for the excess free energies of aqueous species in the background solutions of high ionic strength. Solubility limiting minerals were analyzed before and after experiments using X-ray diffraction. Formation of Fe(OH) 2(s) was observed in the experiments that were initiated with Fe 2Cl(OH) 3(s) in Na 2SO 4 solution. Coexistence of siderite and chukanovite was observed in the experiments in Na 2COmore » 3 + NaCl solutions. Two equilibrium constants that had been reported by us for the dissolution of Fe(OH) 2(s) and Fe 2Cl(OH) 3(s) (Nemer et al.) were rederived in this paper, using newer thermodynamic data selected from the literature to maintain internal consistency of the series of our data analyses in preparation, including this paper. Three additional equilibrium constants for the following reactions were determined in this paper: dissolution of siderite and chukanovite and dissociation of the aqueous species Fe(CO 3) 2 –2. Five Pitzer interaction parameters were derived in this paper: β (0), β (1), and C φ parameters for the species pair Fe +2/SO 4 –2; β (0) and β (1) parameters for the species pair Na+/Fe(CO3)2–2. Our model predicts that, among the four inorganic ferrous iron minerals, siderite is the stable mineral in two WIPP-related brines (WIPP: Waste Isolation Pilot Plant), i.e., GWB and ERDA6 (Brush and Domski), and the electrochemical equilibrium between elemental iron and siderite provides a low oxygen fugacity (10 –91.2 atm) that can keep the actinides at their lowest oxidation states. (Nemer et al., Brush and Domski; references numbered 1 and 2 in the main text).« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1411232-solubility-model-ferrous-iron-hydroxide-hibbingite-siderite-chukanovite-high-saline-solutions-sodium-chloride-sodium-sulfate-sodium-carbonate','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1411232-solubility-model-ferrous-iron-hydroxide-hibbingite-siderite-chukanovite-high-saline-solutions-sodium-chloride-sodium-sulfate-sodium-carbonate"><span>Solubility Model for Ferrous Iron Hydroxide, Hibbingite, Siderite, and Chukanovite in High Saline Solutions of Sodium Chloride, Sodium Sulfate, and Sodium Carbonate</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Kim, Sungtae; Marrs, Cassandra; Nemer, Martin; ...</p> <p>2017-11-20</p> <p>Here, a solubility model is presented for ferrous iron hydroxide (Fe(OH) 2(s)), hibbingite (Fe 2Cl(OH) 3(s)), siderite (FeCO 3(s)), and chukanovite (Fe 2CO 3(OH) 2(s)). The Pitzer activity coefficient equation was utilized in developing the model to account for the excess free energies of aqueous species in the background solutions of high ionic strength. Solubility limiting minerals were analyzed before and after experiments using X-ray diffraction. Formation of Fe(OH) 2(s) was observed in the experiments that were initiated with Fe 2Cl(OH) 3(s) in Na 2SO 4 solution. Coexistence of siderite and chukanovite was observed in the experiments in Na 2COmore » 3 + NaCl solutions. Two equilibrium constants that had been reported by us for the dissolution of Fe(OH) 2(s) and Fe 2Cl(OH) 3(s) (Nemer et al.) were rederived in this paper, using newer thermodynamic data selected from the literature to maintain internal consistency of the series of our data analyses in preparation, including this paper. Three additional equilibrium constants for the following reactions were determined in this paper: dissolution of siderite and chukanovite and dissociation of the aqueous species Fe(CO 3) 2 –2. Five Pitzer interaction parameters were derived in this paper: β (0), β (1), and C φ parameters for the species pair Fe +2/SO 4 –2; β (0) and β (1) parameters for the species pair Na+/Fe(CO3)2–2. Our model predicts that, among the four inorganic ferrous iron minerals, siderite is the stable mineral in two WIPP-related brines (WIPP: Waste Isolation Pilot Plant), i.e., GWB and ERDA6 (Brush and Domski), and the electrochemical equilibrium between elemental iron and siderite provides a low oxygen fugacity (10 –91.2 atm) that can keep the actinides at their lowest oxidation states. (Nemer et al., Brush and Domski; references numbered 1 and 2 in the main text).« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26745731','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26745731"><span>The Use of Finite Element Analysis to Enhance Research and Clinical Practice in Orthopedics.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Pfeiffer, Ferris M</p> <p>2016-02-01</p> <p>Finite element analysis (FEA) is a very powerful tool for the evaluation of biomechanics in orthopedics. Finite element (FE) simulations can effectively and efficiently evaluate thousands of variables (such as implant variation, surgical techniques, and various pathologies) to optimize design, screening, prediction, and treatment in orthopedics. Additionally, FEA can be used to retrospectively evaluate and troubleshoot complications or failures to prevent similar future occurrences. Finally, FE simulations are used to evaluate implants, procedures, and techniques in a time- and cost-effective manner. In this work, an overview of the development of FE models is provided and an example application is presented to simulate knee biomechanics for a specimen with medial meniscus insufficiency. FE models require the development of the geometry of interest, determination of the material properties of the tissues simulated, and an accurate application of a numerical solver to produce an accurate solution and representation of the field variables. The objectives of this work are to introduce the reader to the application of FEA in orthopedic analysis of the knee joint. A brief description of the model development process as well as a specific application to the investigation of knee joint stability in geometries with normal or compromised medial meniscal attachment is included. Significant increases in stretch of the anterior cruciate ligament were predicted in specimens with medial meniscus insufficiency (such behavior was confirmed in corresponding biomechanical testing). It can be concluded from this work that FE analysis of the knee can provide significant new information with which more effective clinical decisions can be made. Thieme Medical Publishers 333 Seventh Avenue, New York, NY 10001, USA.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MSSP..102...37C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MSSP..102...37C"><span>Mechanical model development of rolling bearing-rotor systems: A review</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Cao, Hongrui; Niu, Linkai; Xi, Songtao; Chen, Xuefeng</p> <p>2018-03-01</p> <p>The rolling bearing rotor (RBR) system is the kernel of many rotating machines, which affects the performance of the whole machine. Over the past decades, extensive research work has been carried out to investigate the dynamic behavior of RBR systems. However, to the best of the authors' knowledge, no comprehensive review on RBR modelling has been reported yet. To address this gap in the literature, this paper reviews and critically discusses the current progress of mechanical model development of RBR systems, and identifies future trends for research. Firstly, five kinds of rolling bearing models, i.e., the lumped-parameter model, the quasi-static model, the quasi-dynamic model, the dynamic model, and the finite element (FE) model are summarized. Then, the coupled modelling between bearing models and various rotor models including De Laval/Jeffcott rotor, rigid rotor, transfer matrix method (TMM) models and FE models are presented. Finally, the paper discusses the key challenges of previous works and provides new insights into understanding of RBR systems for their advanced future engineering applications.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011PhDT........37M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011PhDT........37M"><span>Improvements to constitutive material model for fabrics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Morea, Mihai I.</p> <p>2011-12-01</p> <p>The high strength to weight ratio of woven fabric offers a cost effective solution to be used in a containment system for aircraft propulsion engines. Currently, Kevlar is the only Federal Aviation Administration (FAA) approved fabric for usage in systems intended to mitigate fan blade-out events. This research builds on an earlier constitutive model of Kevlar 49 fabric developed at Arizona State University (ASU) with the addition of new and improved modeling details. Latest stress strain experiments provided new and valuable data used to modify the material model post peak behavior. These changes reveal an overall improvement of the Finite Element (FE) model's ability to predict experimental results. First, the steel projectile is modeled using Johnson-Cook material model and provides a more realistic behavior in the FE ballistic models. This is particularly noticeable when comparing FE models with laboratory tests where large deformations in projectiles are observed. Second, follow-up analysis of the results obtained through the new picture frame tests conducted at ASU provides new values for the shear moduli and corresponding strains. The new approach for analysis of data from picture frame tests combines digital image analysis and a two-level factorial optimization formulation. Finally, an additional improvement in the material model for Kevlar involves checking the convergence at variation of mesh density of fabrics. The study performed and described herein shows the converging trend, therefore validating the FE model.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JMMM..454..125B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JMMM..454..125B"><span>Magnetic Compton scattering study of Laves phase ZrFe2 and Sc doped ZrFe2: Experiment and Green function based relativistic calculations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bhatt, Samir; Mund, H. S.; Kumar, Kishor; Bapna, Komal; Dashora, Alpa; Itou, M.; Sakurai, Y.; Ahuja, B. L.</p> <p>2018-05-01</p> <p>Spin momentum densities of ferromagnetic ZrFe2 and Zr0.8Sc0.2Fe2 have been measured using magnetic Compton scattering with 182.65 keV circularly polarized synchrotron radiations. Site specific spin moments, which are responsible for the formation of total spin moment, have been deduced from Compton line shapes. At room temperature, the computed spin moment of ZrFe2 is found to be slightly higher than that of Sc doped ZrFe2 which is in consensus with the magnetization data. To compare the experimental data, we have also computed magnetic Compton profiles (MCPs), total and partial spin projected density of states (DOS) and the site specific spin moments using spin-polarized relativistic Korringa-Kohn-Rostoker method. It is observed that the spin moment at Fe site is aligned antiparallel to that of Zr site in both ZrFe2 and Zr0.8Sc0.2Fe2. The MCP results when compared with vibrating sample magnetometer based magnetization data, show a very small contribution of orbital moment in the formation of total magnetic moments in both the compounds. The DOS of ferromagnetic ground state of ZrFe2 and Zr0.8Sc0.2Fe2 are interpreted on the basis of a covalent magnetic model beyond the Stoner rigid band model. It appears that on alloying between a magnetic and a non-magnetic partner (with low valence), a polarization develops on the non-magnetic atom which is anti-parallel to that of the magnetic atom.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AGUFM.B44B..05M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AGUFM.B44B..05M"><span>Iron cycling under oscillatory redox conditions: from observations to processes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Meile, C. D.; Chen, C.; Barcellos, D.; Wilmoth, J.; Thompson, A.</p> <p>2017-12-01</p> <p>Fe oxyhydroxides play a critical role in soils through their role as structural entities, their high sorption capacity, their role as terminal electron acceptors in the respiration of organic matter, as well as their potential to affect the reactivity of that organic matter. In soils that undergo repeated fluctuations in O2 concentrations, soil iron undergoes transformations between reduced and oxidized forms. The rate of Fe(II) oxidation can govern the nature of Fe(III) oxyhydroxides formed, and hence can affect rates of OC mineralization under suboxic conditions. But it remains unclear if this same behavior occurs in soils, where Fe(II) is mainly present as surface complexes. We documented the impact of such redox oscillations on iron cycling through targeted experiments, in which the magnitude and frequency of redox oscillations were varied systematically on soils from the Luquillo Critical Zone Observatory, Puerto Rico. Our observations demonstrated that higher O2 concentrations led to a faster Fe(II) oxidation and resulted in less crystalline Fe(III)-oxyhydroxides than lower O2 concentrations. We further studied the dynamics of iron phases by amending soil slurries with isotopically-labeled 57Fe(II) and developed a numerical model to quantify the individual processes. Our model showed a higher rate of Fe(III) reduction and increased sorption capacity following the oxidation of Fe(II) at high O2 levels than at low O2 levels, and revealed rapid Fe atom exchange between solution and solid phase. Concurrent measurements of CO2 in our oscillation experiments further illustrated the importance O2 fluctuations on coupled Fe-C dynamics.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li class="active"><span>8</span></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_8 --> <div id="page_9" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li class="active"><span>9</span></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="161"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28222002','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28222002"><span>Friction Reduction through Ultrasonic Vibration Part 1: Modelling Intermittent Contact.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Vezzoli, Eric; Vidrih, Zlatko; Giamundo, Vincenzo; Lemaire-Semail, Betty; Giraud, Frederic; Rodic, Tomaz; Peric, Djordje; Adams, Michael</p> <p>2017-01-01</p> <p>Ultrasonic vibration is employed to modify the friction of a finger pad in way that induces haptic sensations. A combination of intermittent contact and squeeze film levitation has been previously proposed as the most probable mechanism. In this paper, in order to understand the underlying principles that govern friction modulation by intermittent contact, numerical models based on finite element (FE) analysis and also a spring-Coulombic slider are developed. The physical input parameters for the FE model are optimized by measuring the contact phase shift between a finger pad and a vibrating plate. The spring-slider model assists in the interpretation of the FE model and leads to the identification of a dimensionless group that allows the calculated coefficient of friction to be approximately superimposed onto an exponential function of the dimensionless group. Thus, it is possible to rationalize the computed relative reduction in friction being (i) dependent on the vibrational amplitude, frequency, and the intrinsic coefficient of friction of the device, and the reciprocal of the exploration velocity, and (ii) independent of the applied normal force, and the shear and extensional elastic moduli of the finger skin provided that intermittent contact is sufficiently well developed. Experimental validation of the modelling using real and artificial fingertips will be reported in part 2 of this work, which supports the current modelling.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19860018145','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19860018145"><span>Identification of differences between finite element analysis and experimental vibration data</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Lawrence, C.</p> <p>1986-01-01</p> <p>An important problem that has emerged from combined analytical/experimental investigations is the task of identifying and quantifying the differences between results predicted by F.E. analysis and results obtained from experiment. The objective of this study is to extend and evaluate the procedure developed by Sidhu for correlation of linear F.E. and modal test data to include structures with viscous damping. The desirability of developing this procedure is that the differences are identified in terms of physical mass, damping, and stiffness parameters instead of in terms of frequencies and modes shapes. Since the differences are computed in terms of physical parameters, locations of modeling problems can be directly identified in the F.E. model. From simulated data it was determined that the accuracy of the computed differences increases as the number of experimentally measured modes included in the calculations is increased. When the number of experimental modes is at least equal to the number of translational degrees of freedom in the F.E. model both the location and magnitude of the differences can be computed very accurately. When the number of modes is less than this amount the location of the differences may be determined even though their magnitudes will be under estimated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MS%26E..236a2098D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MS%26E..236a2098D"><span>Simulation of crash tests for high impact levels of a new bridge safety barrier</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Drozda, Jiří; Rotter, Tomáš</p> <p>2017-09-01</p> <p>The purpose is to show the opportunity of a non-linear dynamic impact simulation and to explain the possibility of using finite element method (FEM) for developing new designs of safety barriers. The main challenge is to determine the means to create and validate the finite element (FE) model. The results of accurate impact simulations can help to reduce necessary costs for developing of a new safety barrier. The introductory part deals with the creation of the FE model, which includes the newly-designed safety barrier and focuses on the application of an experimental modal analysis (EMA). The FE model has been created in ANSYS Workbench and is formed from shell and solid elements. The experimental modal analysis, which was performed on a real pattern, was employed for measuring the modal frequencies and shapes. After performing the EMA, the FE mesh was calibrated after comparing the measured modal frequencies with the calculated ones. The last part describes the process of the numerical non-linear dynamic impact simulation in LS-DYNA. This simulation was validated after comparing the measured ASI index with the calculated ones. The aim of the study is to improve professional public knowledge about dynamic non-linear impact simulations. This should ideally lead to safer, more accurate and profitable designs.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017ApSS..404...40J','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017ApSS..404...40J"><span>Monodisperse NixFe3-xO4 nanospheres: Metal-ion-steered size/composition control mechanism, static magnetic and enhanced microwave absorbing properties</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Jiang, Kedan; Liu, Yun; Pan, Yefei; Wang, Ru; Hu, Panbing; He, Rujia; Zhang, Lingli; Tong, Guoxiu</p> <p>2017-05-01</p> <p>An easy metal-ion-steered solvothermal method was developed for the one-step synthesis of monodisperse, uniform NixFe3-xO4 polycrystalline nanospheres with tunable sphere diameter (40-400 nm) and composition (0 ≤ x ≤ 0.245) via changing just Ni2+/Fe3+ molar ratio (γ). With g increased from 0:1 to 2:1, sphere diameter gradually decreased and crystal size exhibited an inversed U-shaped change tendency, followed by increased Ni/Fe atom ratio from 0% to 0.0888%. An in situ-reduction, coordination-precipitation transformation mechanism was proposed to interpret the metal-ion-steered growth. Size- and composition-dependent static magnetic and microwave absorbing properties were systematically investigated. Saturation magnetization declines with g in a Boltzmann model due to the changes of crystal size, sphere diameter, and Ni content. The coercivity reaches a maximum at γ = 0.75:1 because of the critical size of Fe3O4 single domain (25 nm). Studies on microwave absorption reveal that 150-400 nm Fe3O4 nanospheres mainly obey the quarter-wavelength cancellation model with the single-band absorption; 40-135 nm NixFe3-xO4 nanospheres (0 ≤ x ≤ 0.245) obey the one and three quarter-wavelength cancellation model with the multi-band absorption. 150 nm Fe3O4 nanospheres exhibit the optimal EM wave-absorbing property with an absorbing band of 8.94 GHz and the maximum RL of -50.11 dB.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4315135','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4315135"><span>A nano-disperse ferritin-core mimetic that efficiently corrects anemia without luminal iron redox activity</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Powell, Jonathan J.; Bruggraber, Sylvaine F.A.; Faria, Nuno; Poots, Lynsey K.; Hondow, Nicole; Pennycook, Timothy J.; Latunde-Dada, Gladys O.; Simpson, Robert J.; Brown, Andy P.; Pereira, Dora I.A.</p> <p>2014-01-01</p> <p>The 2-5 nm Fe(III) oxo-hydroxide core of ferritin is less ordered and readily bioavailable compared to its pure synthetic analogue, ferrihydrite. We report the facile synthesis of tartrate-modified, nano-disperse ferrihydrite of small primary particle size, but with enlarged or strained lattice structure (~ 2.7 Å for the main Bragg peak versus 2.6 Å for synthetic ferrihydrite). Analysis indicated that co-precipitation conditions can be achieved for tartrate inclusion into the developing ferrihydrite particles, retarding both growth and crystallization and favoring stabilization of the cross-linked polymeric structure. In murine models, gastrointestinal uptake was independent of luminal Fe(III) reduction to Fe(II) and, yet, absorption was equivalent to that of ferrous sulphate, efficiently correcting the induced anemia. This process may model dietary Fe(III) absorption and potentially provide a side effect-free form of cheap supplemental iron. From the Clinical Editor Small size tartrate-modified, nano-disperse ferrihydrite was used for efficient gastrointestinal delivery of soluble Fe(III) without the risk for free radical generation in murine models. This method may provide a potentially side effect-free form iron supplementation. PMID:24394211</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22597776-magnetic-cluster-expansion-model-random-ordered-magnetic-face-centered-cubic-fe-ni-cr-alloys','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22597776-magnetic-cluster-expansion-model-random-ordered-magnetic-face-centered-cubic-fe-ni-cr-alloys"><span>Magnetic cluster expansion model for random and ordered magnetic face-centered cubic Fe-Ni-Cr alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Lavrentiev, M. Yu., E-mail: Mikhail.Lavrentiev@ukaea.uk; Nguyen-Manh, D.; Dudarev, S. L.</p> <p></p> <p>A Magnetic Cluster Expansion model for ternary face-centered cubic Fe-Ni-Cr alloys has been developed, using DFT data spanning binary and ternary alloy configurations. Using this Magnetic Cluster Expansion model Hamiltonian, we perform Monte Carlo simulations and explore magnetic structures of alloys over the entire range of compositions, considering both random and ordered alloy structures. In random alloys, the removal of magnetic collinearity constraint reduces the total magnetic moment but does not affect the predicted range of compositions where the alloys adopt low-temperature ferromagnetic configurations. During alloying of ordered fcc Fe-Ni compounds with Cr, chromium atoms tend to replace nickel rathermore » than iron atoms. Replacement of Ni by Cr in ordered alloys with high iron content increases the Curie temperature of the alloys. This can be explained by strong antiferromagnetic Fe-Cr coupling, similar to that found in bcc Fe-Cr solutions, where the Curie temperature increase, predicted by simulations as a function of Cr concentration, is confirmed by experimental observations. In random alloys, both magnetization and the Curie temperature decrease abruptly with increasing chromium content, in agreement with experiment.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26891250','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26891250"><span>Finite element models of the human shoulder complex: a review of their clinical implications and modelling techniques.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zheng, Manxu; Zou, Zhenmin; Bartolo, Paulo Jorge Da Silva; Peach, Chris; Ren, Lei</p> <p>2017-02-01</p> <p>The human shoulder is a complicated musculoskeletal structure and is a perfect compromise between mobility and stability. The objective of this paper is to provide a thorough review of previous finite element (FE) studies in biomechanics of the human shoulder complex. Those FE studies to investigate shoulder biomechanics have been reviewed according to the physiological and clinical problems addressed: glenohumeral joint stability, rotator cuff tears, joint capsular and labral defects and shoulder arthroplasty. The major findings, limitations, potential clinical applications and modelling techniques of those FE studies are critically discussed. The main challenges faced in order to accurately represent the realistic physiological functions of the shoulder mechanism in FE simulations involve (1) subject-specific representation of the anisotropic nonhomogeneous material properties of the shoulder tissues in both healthy and pathological conditions; (2) definition of boundary and loading conditions based on individualised physiological data; (3) more comprehensive modelling describing the whole shoulder complex including appropriate three-dimensional (3D) representation of all major shoulder hard tissues and soft tissues and their delicate interactions; (4) rigorous in vivo experimental validation of FE simulation results. Fully validated shoulder FE models would greatly enhance our understanding of the aetiology of shoulder disorders, and hence facilitate the development of more efficient clinical diagnoses, non-surgical and surgical treatments, as well as shoulder orthotics and prosthetics. © 2016 The Authors. International Journal for Numerical Methods in Biomedical Engineering published by John Wiley & Sons Ltd. © 2016 The Authors. International Journal for Numerical Methods in Biomedical Engineering published by John Wiley & Sons Ltd.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29888114','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29888114"><span>Mechanical Evaluation of Retinal Damage Associated With Blunt Craniomaxillofacial Trauma: A Simulation Analysis.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Geng, Xiaoqi; Liu, Xiaoyu; Wei, Wei; Wang, Yawei; Wang, Lizhen; Chen, Kinon; Huo, Hongqiang; Zhu, Yuanjie; Fan, Yubo</p> <p>2018-05-01</p> <p>To evaluate retinal damage as the result of craniomaxillofacial trauma and explain its pathogenic mechanism using finite element (FE) simulation. Computed tomography (CT) images of an adult man were obtained to construct a FE skull model. A FE skin model was built to cover the outer surface of the skull model. A previously validated FE right eye model was symmetrically copied to create a FE left eye model, and both eye models were assembled to the skull model. An orbital fat model was developed to fill the space between the eye models and the skull model. Simulations of a ball-shaped object striking the frontal bone, temporal bone, brow, and cheekbones were performed, and the resulting absorption of the impact energy, intraocular pressure (IOP), and strains on the macula and ora serrata were analyzed to evaluate retinal injuries. Strain was concentrated in the macular regions (0.18 in average) of both eyes when the frontal bone was struck. The peak strain on the macula of the struck-side eye was higher than that of the other eye (>100%) when the temporal bone was struck, whereas there was little difference (<10%) between the two eyes when the brow and cheekbones were struck. Correlation analysis showed that the retinal strain time histories were highly correlated with the IOP time histories ( r > 0.8 and P = 0.000 in all simulation cases). The risk of retinal damage is variable in craniomaxillofacial trauma depending on the struck region, and the damage is highly related to IOP variation caused by indirect blunt eye trauma. This finite element eye model allows us to evaluate and understand the indirect ocular injury mechanisms in craniomaxillofacial trauma for better clinical diagnosis and treatment.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016SPIE.9803E..2PK','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016SPIE.9803E..2PK"><span>Model calibration for a soft elastomeric capacitor sensor considering slippage under fatigue cracks</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kong, Xiangxiong; Li, Jian; Bennett, Caroline; Collins, William; Laflamme, Simon</p> <p>2016-04-01</p> <p>A newly-developed soft elastomeric capacitor (SEC) strain sensor has shown promise in fatigue crack monitoring. The SECs exhibit high levels of ductility and hence do not break under excessive strain when the substrate cracks due to slippage or de-bonding between the sensor and epoxy. The actual strain experienced by a SEC depends on the amount of slippage, which is difficult to simulate numerically, making it challenging to accurately predict the response of a SEC near a crack. In this paper, a two-step approach is proposed to simulate the capacitance response of a SEC. First, a finite element (FE) model of a steel compact tension specimen was analyzed under cyclic loading while the cracking process was simulated based on an element removal technique. Second, a rectangular boundary was defined near the crack region. The SEC outside the boundary was assumed to have perfect bond with the specimen, while that inside the boundary was assumed to deform freely due to slippage. A second FE model was then established to simulate the response of the SEC within the boundary subject to displacements at the boundary from the first FE model. The total simulated capacitance was computed from the model results by combining the computed capacitance inside and outside the boundary. The performance of the simulation incorporating slippage was evaluated by comparing the model results with the experimental data from the test performed on a compact tension specimen. The FE model considering slippage showed results that matched the experimental findings more closely than the FE model that did not consider slippage.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2002PhDT........52L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2002PhDT........52L"><span>Multi-scale finite element modeling of strain localization in geomaterials with strong discontinuity</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lai, Timothy Yu</p> <p>2002-01-01</p> <p>Geomaterials such as soils and rocks undergo strain localization during various loading conditions. Strain localization manifests itself in the form of a shear band, a narrow zone of intense straining. It is now generally recognized that these localized deformations lead to an accelerated softening response and influence the response of structures at or near failure. In order to accurately predict the behavior of geotechnical structures, the effects of strain localization must be included in any model developed. In this thesis, a multi-scale Finite Element (FE) model has been developed that captures the macro- and micro-field deformation patterns present during strain localization. The FE model uses a strong discontinuity approach where a jump in the displacement field is assumed. The onset of strain localization is detected using bifurcation theory that checks when the governing equations lose ellipticity. Two types of bifurcation, continuous and discontinuous are considered. Precise conditions for plane strain loading conditions are reported for each type of bifurcation. Post-localization behavior is governed by the traction relations on the band. Different plasticity models such as Mohr-Coulomb, Drucker-Prager and a Modified Mohr-Coulomb yield were implemented together with cohesion softening and cutoff for the post-localization behavior. The FE model is implemented into a FORTRAN code SPIN2D-LOC using enhanced constant strain triangular (CST) elements. The model is formulated using standard Galerkin finite element method, applicable to problems under undrained conditions and small deformation theory. A band-tracing algorithm is implemented to track the propagation of the shear band. To validate the model, several simulations are performed from simple compression test of soft rock to simulation of a full-scale geosynthetic reinforced soil wall model undergoing strain localization. Results from both standard and enhanced FE method are included for comparison. The resulting load-displacement curves show that the model can represent the softening behavior of geomaterials once strain localization is detected. The orientation of the shear band is found to depend on both the friction and dilation angle of the geomaterial. For most practical problems, slight mesh dependency can be expected but is associated with the standard FE interpolation rather than the strong discontinuity enhancements.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012IAUS..284...66G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012IAUS..284...66G"><span>Spectral fitting of SDSS passive galaxies with α-enhanced single stellar populations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gomes, Jean Michel; Coelho, Paula</p> <p>2012-08-01</p> <p>The power of population synthesis as a mean to estimate the star-formation and chemical histories of galaxies has been well established in the last decade. The major developments were due to a huge avalanche of methods, codes and high-quality galaxy data sets, such as the 2dF, 6dF and SDSS surveys. Semi-empirical spectral synthesis allows for the decomposition of a galaxy spectrum in terms of linear combinations of base elements, i.e. Single Stellar Populations (SSPs) of different ages and metallicities, which are computed from evolutionary synthesis codes (BPASS, GALEV, GALAXEV, MILES, PÉGASE, etc. . .), containing distinct ingredients like: stellar library, evolutionary tracks, metallicities and Initial Mass Function. In general, they have solar-scaled relative abundances, but this is about to change with the unfolding of new α-enhanced SSP models (Coelho et al. 2007). However, passive galaxies have some spectral features corresponding to ``enhanced-ratios'' ([E/Fe]), like O, Ne, Si, S, Mg, Na, C and N over Fe that are not well modeled using solar-scaled SSPs (Trager et al. 2000), leading to residuals between observed and modeled spectra, which also correlate with the velocity dispersion (σ*) and stellar mass (M *): Massive galaxies exhibit a larger [E/Fe] discrepancy than less massive ones. This result can be interpreted as a signature of distinct previous star-formation efficiencies in passive galaxies, leading to distinctive ratios of type Ia and II SNe. We have applied the starlight spectral synthesis code (Cid Fernandes et al. 2005) to a sample of ~ 1000 passive galaxies from the SDSS DR7 with a S/N at the continuum >= 20 to investigate possible enhancements in the derived [E/Fe] ratios. Three sets of SSPs based on Coelho et al. (2007) theoretical models and Walcher et al. (2009) prescriptions were computed for [α/Fe]=0.0, [α/Fe]=0.2 and [α/Fe]=0.4. Our aim is to determine: (1) the quality of the fits, (2) the mean stellar age and metallicity distributions, and (3) the star-formation history of passive galaxies. Using [α/Fe]=0.0 SSPs, we have identified the strongest residuals in the CN (4142.125-4177.125 Å), Na D (5876.875-5909.375 Å) and Mg (5069.125-5196.625 Å) bands. On the other hand, [α/Fe]=0.2 and [α/Fe]=0.4 SSP models tend to reproduce better the Mg band, as compared to solar-scaled SSPs ([α/Fe]=0.0). The residuals are decreased by 1.77 Å ([α/Fe]=0.2) and 2.92 Å ([α/Fe]=0.4). However, as expected, these α-enhanced models lead to worse fits for the CN and Na D bands. These residuals may even reach up to 2.08 Å (CN) and 4.20 Å (Na D), using [α/Fe]=0.2 SSPs and 2.28 Å (CN) and 7.94 Å (Na D), using [α/Fe]=0.4 SSPs. In terms of mean stellar ages and metallicities, we obtain non-negligible biases in both quantities when we compare the solar-scaled SSPs with α-enhanced ones, which tend to have mean stellar ages by 0.12 dex ([α/Fe]=0.2) and 0.14 dex ([α/Fe]=0.4) higher and mean stellar metallicities by 0.1 dex ([α/Fe]=0.2) and 0.2 dex ([α/Fe]=0.4) lower.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015GeCoA.166...92R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015GeCoA.166...92R"><span>Fractionation of iron isotopes during leaching of natural particles by acidic and circumneutral leaches and development of an optimal leach for marine particulate iron isotopes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Revels, Brandi N.; Zhang, Ruifeng; Adkins, Jess F.; John, Seth G.</p> <p>2015-10-01</p> <p>Iron (Fe) is an essential nutrient for life on land and in the oceans. Iron stable isotope ratios (δ56Fe) can be used to study the biogeochemical cycling of Fe between particulate and dissolved phases in terrestrial and marine environments. We have investigated the dissolution of Fe from natural particles both to understand the mechanisms of Fe dissolution, and to choose a leach appropriate for extracting labile Fe phases of marine particles. With a goal of finding leaches which would be appropriate for studying dissolved-particle interactions in an oxic water column, three particle types were chosen including oxic seafloor sediments (MESS-3), terrestrial dust (Arizona Test Dust - A2 Fine), and ocean sediment trap material from the Cariaco basin. Four leaches were tested, including three acidic leaches similar to leaches previously applied to marine particles and sediments (25% acetic acid, 0.01 N HCl, and 0.5 N HCl) and a pH 8 oxalate-EDTA leach meant to mimic the dissolution of particles by organic complexation, as occurs in natural seawater. Each leach was applied for three different times (10 min, 2 h, 24 h) at three different temperatures (25 °C, 60 °C, 90 °C). MESS-3 was also leached under various redox conditions (0.02 M hydroxylamine hydrochloride or 0.02 M hydrogen peroxide). For all three sample types tested, we find a consistent relationship between the amount of Fe leached and leachate δ56Fe for all of the acidic leaches, and a different relationship between the amount of Fe leached and leachate δ56Fe for the oxalate-EDTA leach, suggesting that Fe was released through proton-promoted dissolution for all acidic leaches and by ligand-promoted dissolution for the oxalate-EDTA leach. Fe isotope fractionations of up to 2‰ were observed during acidic leaching of MESS-3 and Cariaco sediment trap material, but not for Arizona Test Dust, suggesting that sample composition influences fractionation, perhaps because Fe isotopes are greatly fractionated during leaching of silicates and clays but only minimally fractionated during dissolution of Fe oxyhydroxides. Two different analytical models were developed to explain the relationship between amount of Fe leached and δ56Fe, one of which assumes mixing between two Fe phases with different δ56Fe and different dissolution rates, and the other of which assumes dissolution of a single phase with a kinetic isotope effect. We apply both models to fit results from the acidic leaches of MESS-3 and find that the fit for both models is very similar, suggesting that isotope data will never be sufficient to distinguish between these two processes for natural materials. Next, we utilize our data to choose an optimal leach for application to marine particles. The oxalate-EDTA leach is well-suited to this purpose because it does not greatly fractionate Fe isotopes for a diversity of particle types over a wide variety of leaching conditions, and because it approximates the conditions by which particulate Fe dissolves in the oceans. We recommend a 2 h leach at 90 °C with 0.1 M oxalate and 0.05 M EDTA at pH 8 to measure labile ;ligand-leachable; particulate δ56Fe on natural marine materials with a range of compositions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20140003595','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20140003595"><span>Calibration and Validation of a Finite ELement Model of THor-K Anthropomorphic Test Device for Aerospace Safety Applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Putnam, J. B.; Unataroiu, C. D.; Somers, J. T.</p> <p>2014-01-01</p> <p>The THOR anthropomorphic test device (ATD) has been developed and continuously improved by the National Highway Traffic Safety Administration to provide automotive manufacturers an advanced tool that can be used to assess the injury risk of vehicle occupants in crash tests. Recently, a series of modifications were completed to improve the biofidelity of THOR ATD [1]. The updated THOR Modification Kit (THOR-K) ATD was employed at Wright-Patterson Air Base in 22 impact tests in three configurations: vertical, lateral, and spinal [2]. Although a computational finite element (FE) model of the THOR had been previously developed [3], updates to the model were needed to incorporate the recent changes in the modification kit. The main goal of this study was to develop and validate a FE model of the THOR-K ATD. The CAD drawings of the THOR-K ATD were reviewed and FE models were developed for the updated parts. For example, the head-skin geometry was found to change significantly, so its model was re-meshed (Fig. 1a). A protocol was developed to calibrate each component identified as key to the kinematic and kinetic response of the THOR-K head/neck ATD FE model (Fig. 1b). The available ATD tests were divided in two groups: a) calibration tests where the unknown material parameters of deformable parts (e.g., head skin, pelvis foam) were optimized to match the data and b) validation tests where the model response was only compared with test data by calculating their score using CORrelation and Analysis (CORA) rating system. Finally, the whole ATD model was validated under horizontal-, vertical-, and lateral-loading conditions against data recorded in the Wright Patterson tests [2]. Overall, the final THOR-K ATD model developed in this study is shown to respond similarly to the ATD in all validation tests. This good performance indicates that the optimization performed during calibration by using the CORA score as objective function is not test specific. Therefore confidence is provided in the ATD model for uses in predicting response in test conditions not performed in this study such those observed in the spacecraft landing. Comparison studies with ATD and human models may also be performed to contribute to future changes in THOR ATD design in an effort to improve its biofidelity, which has been traditionally based on post-mortem human subject testing and designer experience.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008PhDT.......223W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008PhDT.......223W"><span>A Plasticity Model to Predict the Effects of Confinement on Concrete</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wolf, Julie</p> <p></p> <p>A plasticity model to predict the behavior of confined concrete is developed. The model is designed to implicitly account for the increase in strength and ductility due to confining a concrete member. The concrete model is implemented into a finite element (FE) model. By implicitly including the change in the strength and ductility in the material model, the confining material can be explicitly included in the FE model. Any confining material can be considered, and the effects on the concrete of failure in the confinement material can be modeled. Test data from a wide variety of different concretes utilizing different confinement methods are used to estimate the model parameters. This allows the FE model to capture the generalized behavior of concrete under multiaxial loading. The FE model is used to predict the results of tests on reinforced concrete members confined by steel hoops and fiber reinforced polymer (FRP) jackets. Loading includes pure axial load and axial load-moment combinations. Variability in the test data makes the model predictions difficult to compare but, overall, the FE model is able to capture the effects of confinement on concrete. Finally, the FE model is used to compare the performance of steel hoop to FRP confined sections, and of square to circular cross sections. As expected, circular sections are better able to engage the confining material, leading to higher strengths. However, higher strains are seen in the confining material for the circular sections. This leads to failure at lower axial strain levels in the case of the FRP confined sections. Significant differences are seen in the behavior of FRP confined members and steel hoop confined members. Failure in the FRP members is always determined by rupture in the composite jacket. As a result, the FRP members continue to take load up to failure. In contrast, the steel hoop confined sections exhibit extensive strain softening before failure. This comparison illustrates the usefulness of the concrete model as a tool for designers. Overall, the concrete model provides a flexible and powerful method to predict the performance of confined concrete.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JCoPh.338..285J','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JCoPh.338..285J"><span>Model's sparse representation based on reduced mixed GMsFE basis methods</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Jiang, Lijian; Li, Qiuqi</p> <p>2017-06-01</p> <p>In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. A typical application for the elliptic PDEs is the flow in heterogeneous random porous media. Mixed generalized multiscale finite element method (GMsFEM) is one of the accurate and efficient approaches to solve the flow problem in a coarse grid and obtain the velocity with local mass conservation. When the inputs of the PDEs are parameterized by the random variables, the GMsFE basis functions usually depend on the random parameters. This leads to a large number degree of freedoms for the mixed GMsFEM and substantially impacts on the computation efficiency. In order to overcome the difficulty, we develop reduced mixed GMsFE basis methods such that the multiscale basis functions are independent of the random parameters and span a low-dimensional space. To this end, a greedy algorithm is used to find a set of optimal samples from a training set scattered in the parameter space. Reduced mixed GMsFE basis functions are constructed based on the optimal samples using two optimal sampling strategies: basis-oriented cross-validation and proper orthogonal decomposition. Although the dimension of the space spanned by the reduced mixed GMsFE basis functions is much smaller than the dimension of the original full order model, the online computation still depends on the number of coarse degree of freedoms. To significantly improve the online computation, we integrate the reduced mixed GMsFE basis methods with sparse tensor approximation and obtain a sparse representation for the model's outputs. The sparse representation is very efficient for evaluating the model's outputs for many instances of parameters. To illustrate the efficacy of the proposed methods, we present a few numerical examples for elliptic PDEs with multiscale and random inputs. In particular, a two-phase flow model in random porous media is simulated by the proposed sparse representation method.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22622295-model-sparse-representation-based-reduced-mixed-gmsfe-basis-methods','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22622295-model-sparse-representation-based-reduced-mixed-gmsfe-basis-methods"><span>Model's sparse representation based on reduced mixed GMsFE basis methods</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Jiang, Lijian, E-mail: ljjiang@hnu.edu.cn; Li, Qiuqi, E-mail: qiuqili@hnu.edu.cn</p> <p>2017-06-01</p> <p>In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. A typical application for the elliptic PDEs is the flow in heterogeneous random porous media. Mixed generalized multiscale finite element method (GMsFEM) is one of the accurate and efficient approaches to solve the flow problem in a coarse grid and obtain the velocity with local mass conservation. When the inputs of the PDEs are parameterized by the random variables, the GMsFE basis functions usually depend on the random parameters. This leads to a largemore » number degree of freedoms for the mixed GMsFEM and substantially impacts on the computation efficiency. In order to overcome the difficulty, we develop reduced mixed GMsFE basis methods such that the multiscale basis functions are independent of the random parameters and span a low-dimensional space. To this end, a greedy algorithm is used to find a set of optimal samples from a training set scattered in the parameter space. Reduced mixed GMsFE basis functions are constructed based on the optimal samples using two optimal sampling strategies: basis-oriented cross-validation and proper orthogonal decomposition. Although the dimension of the space spanned by the reduced mixed GMsFE basis functions is much smaller than the dimension of the original full order model, the online computation still depends on the number of coarse degree of freedoms. To significantly improve the online computation, we integrate the reduced mixed GMsFE basis methods with sparse tensor approximation and obtain a sparse representation for the model's outputs. The sparse representation is very efficient for evaluating the model's outputs for many instances of parameters. To illustrate the efficacy of the proposed methods, we present a few numerical examples for elliptic PDEs with multiscale and random inputs. In particular, a two-phase flow model in random porous media is simulated by the proposed sparse representation method.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21676642','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21676642"><span>Finite element modeling of a 3D coupled foot-boot model.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Qiu, Tian-Xia; Teo, Ee-Chon; Yan, Ya-Bo; Lei, Wei</p> <p>2011-12-01</p> <p>Increasingly, musculoskeletal models of the human body are used as powerful tools to study biological structures. The lower limb, and in particular the foot, is of interest because it is the primary physical interaction between the body and the environment during locomotion. The goal of this paper is to adopt the finite element (FE) modeling and analysis approaches to create a state-of-the-art 3D coupled foot-boot model for future studies on biomechanical investigation of stress injury mechanism, foot wear design and parachute landing fall simulation. In the modeling process, the foot-ankle model with lower leg was developed based on Computed Tomography (CT) images using ScanIP, Surfacer and ANSYS. Then, the boot was represented by assembling the FE models of upper, insole, midsole and outsole built based on the FE model of the foot-ankle, and finally the coupled foot-boot model was generated by putting together the models of the lower limb and boot. In this study, the FE model of foot and ankle was validated during balance standing. There was a good agreement in the overall patterns of predicted and measured plantar pressure distribution published in literature. The coupled foot-boot model will be fully validated in the subsequent works under both static and dynamic loading conditions for further studies on injuries investigation in military and sports, foot wear design and characteristics of parachute landing impact in military. Copyright © 2011 IPEM. Published by Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5662183','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5662183"><span>Ethylenediamine grafted to graphene oxide@Fe3O4 for chromium(VI) decontamination: Performance, modelling, and fractional factorial design</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Xu, Jiawen; Wu, Cuiyu; Deng, Jianbin; Liao, Wenwei; Ling, Yuxiang; Yang, Yuanxiu; Zhao, Yina; Zhao, Yunlin; Hu, Xi; Wang, Hui; Liu, Yunguo</p> <p>2017-01-01</p> <p>A method for grafting ethylenediamine to a magnetic graphene oxide composite (EDA-GO@Fe3O4) was developed for Cr(VI) decontamination. The physicochemical properties of EDA-GO@Fe3O4 were characterized using HRTEM, EDS, FT-IR, TG-DSC, and XPS. The effects of pH, sorbent dose, foreign anions, time, Cr(VI) concentration, and temperature on decontamination process were studied. The solution pH can largely affect the decontamination process. The pseudo-second-order model is suitable for being applied to fit the adsorption processes of Cr(VI) with GO@Fe3O4 and EDA-GO@Fe3O4. The intra-particle diffusion is not the rate-controlling step. Isotherm experimental data can be described using the Freundlich model. The effects of multiple factors on the Cr(VI) decontamination was investigated by a 25−1 fractional factorial design (FFD). The adsorption process can significantly be affected by the main effects of A (pH), B (Cr(VI) concentration), and E (Adsorbent dose). The combined factors of AB (pH × Cr(VI) concentration), AE (pH × Adsorbent dose), and BC (Cr(VI) concentration × Temperature) had larger effects than other factors on Cr(VI) removal. These results indicated that EDA-GO@Fe3O4 is a potential and suitable candidate for treatment of heavy metal wastewater. PMID:29084287</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009GeCoA..73..543S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009GeCoA..73..543S"><span>A surface complexation and ion exchange model of Pb and Cd competitive sorption on natural soils</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Serrano, Susana; O'Day, Peggy A.; Vlassopoulos, Dimitri; García-González, Maria Teresa; Garrido, Fernando</p> <p>2009-02-01</p> <p>The bioavailability and fate of heavy metals in the environment are often controlled by sorption reactions on the reactive surfaces of soil minerals. We have developed a non-electrostatic equilibrium model (NEM) with both surface complexation and ion exchange reactions to describe the sorption of Pb and Cd in single- and binary-metal systems over a range of pH and metal concentration. Mineralogical and exchange properties of three different acidic soils were used to constrain surface reactions in the model and to estimate surface densities for sorption sites, rather than treating them as adjustable parameters. Soil heterogeneity was modeled with >FeOH and >SOH functional groups, representing Fe- and Al-oxyhydroxide minerals and phyllosilicate clay mineral edge sites, and two ion exchange sites (X - and Y -), representing clay mineral exchange. An optimization process was carried out using the entire experimental sorption data set to determine the binding constants for Pb and Cd surface complexation and ion exchange reactions. Modeling results showed that the adsorption of Pb and Cd was distributed between ion exchange sites at low pH values and specific adsorption sites at higher pH values, mainly associated with >FeOH sites. Modeling results confirmed the greater tendency of Cd to be retained on exchange sites compared to Pb, which had a higher affinity than Cd for specific adsorption on >FeOH sites. Lead retention on >FeOH occurred at lower pH than for Cd, suggesting that Pb sorbs to surface hydroxyl groups at pH values at which Cd interacts only with exchange sites. The results from the binary system (both Pb and Cd present) showed that Cd retained in >FeOH sites decreased significantly in the presence of Pb, while the occupancy of Pb in these sites did not change in the presence of Cd. As a consequence of this competition, Cd was shifted to ion exchange sites, where it competes with Pb and possibly Ca (from the background electrolyte). Sorption on >SOH functional groups increased with increasing pH but was small compared to >FeOH sites, with little difference between single- and binary-metal systems. Model reactions and conditional sorption constants for Pb and Cd sorption were tested on a fourth soil that was not used for model optimization. The same reactions and constants were used successfully without adjustment by estimating surface site concentrations from soil mineralogy. The model formulation developed in this study is applicable to acidic mineral soils with low organic matter content. Extension of the model to soils of different composition may require selection of surface reactions that account for differences in clay and oxide mineral composition and organic matter content.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006SPIE.6271E..1EM','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006SPIE.6271E..1EM"><span>System analysis tools for an ELT at ESO</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mueller, Michael; Koch, Franz</p> <p>2006-06-01</p> <p>Engineering of complex, large scale systems like the ELT designs currently investigated and developed in Europe and Northern America require powerful and sophisticated tools within specific technical disciplines such as mechanics, optics and control engineering. However, even analyzing a certain component of the telescope like the telescope structure necessitates a system approach to evaluate the structural effects onto the optical performance. This paper shows several software tools developed by the European Southern Observatory (ESO) which focus onto the system approach in the analyses: Using modal results of a finite element analysis the SMI-toolbox allows an easy generation of structural models with different sizes and levels of accuracy for the control design and closed-loop simulations. The optical modeling code BeamWarrior was developed by ESO and Astrium GmbH, Germany) especially for integrated modeling and interfering with a structural model. Within BeamWarrior displacements and deformations can be applied in an arbitrary coordinate system, and hence also in the global coordinates of the FE model avoiding error prone transformations. In addition to this, a sparse state space model object was developed for Matlab to gain in computational efficiency and reduced memory requirements due to the sparsity pattern of both the structural models and the control architecture. As one result these tools allow building an integrated model in order to reliably simulate interactions, cross-coupling effects, system responses, and to evaluate global performance. In order to evaluate disturbance effects on the optical performance in openloop more efficiently, an optical evaluation toolbox was built in the FE software ANSYS which performs Zernike decomposition and best-fit computation of the deformations directly in the FE analysis.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li class="active"><span>9</span></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_9 --> <div id="page_10" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li class="active"><span>10</span></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="181"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012ApCM...19..637I','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012ApCM...19..637I"><span>Finite Element Analysis of Drilling of Carbon Fibre Reinforced Composites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Isbilir, Ozden; Ghassemieh, Elaheh</p> <p>2012-06-01</p> <p>Despite the increased applications of the composite materials in aerospace due to their exceptional physical and mechanical properties, the machining of composites remains a challenge. Fibre reinforced laminated composites are prone to different damages during machining process such as delamination, fibre pull-out, microcracks, thermal damages. Optimization of the drilling process parameters can reduces the probability of these damages. In the current research, a 3D finite element (FE) model is developed of the process of drilling in the carbon fibre reinforced composite (CFC). The FE model is used to investigate the effects of cutting speed and feed rate on thrust force, torque and delamination in the drilling of carbon fiber reinforced laminated composite. A mesoscale FE model taking into account of the different oriented plies and interfaces has been proposed to predict different damage modes in the plies and delamination. For validation purposes, experimental drilling tests have been performed and compared to the results of the finite element analysis. Using Matlab a digital image analysis code has been developed to assess the delamination factor produced in CFC as a result of drilling.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22278128-phosphorus-vacancy-cluster-model-phosphorus-diffusion-gettering-metals-si','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22278128-phosphorus-vacancy-cluster-model-phosphorus-diffusion-gettering-metals-si"><span>Phosphorus vacancy cluster model for phosphorus diffusion gettering of metals in Si</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Chen, Renyu; Trzynadlowski, Bart; Dunham, Scott T.</p> <p>2014-02-07</p> <p>In this work, we develop models for the gettering of metals in silicon by high phosphorus concentration. We first performed ab initio calculations to determine favorable configurations of complexes involving phosphorus and transition metals (Fe, Cu, Cr, Ni, Ti, Mo, and W). Our ab initio calculations found that the P{sub 4}V cluster, a vacancy surrounded by 4 nearest-neighbor phosphorus atoms, which is the most favorable inactive P species in heavily doped Si, strongly binds metals such as Cu, Cr, Ni, and Fe. Based on the calculated binding energies, we build continuum models to describe the P deactivation and Fe getteringmore » processes with model parameters calibrated against experimental data. In contrast to previous models assuming metal-P{sub 1}V or metal-P{sub 2}V as the gettered species, the binding of metals to P{sub 4}V satisfactorily explains the experimentally observed strong gettering behavior at high phosphorus concentrations.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27267429','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27267429"><span>Sodium pyrophosphate enhances iron bioavailability from bouillon cubes fortified with ferric pyrophosphate.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cercamondi, Colin I; Duchateau, Guus S M J E; Harika, Rajwinder K; van den Berg, Robin; Murray, Peter; Koppenol, Wieneke P; Zeder, Christophe; Zimmermann, Michael B; Moretti, Diego</p> <p>2016-08-01</p> <p>Fe fortification of centrally manufactured and frequently consumed condiments such as bouillon cubes could help prevent Fe deficiency in developing countries. However, Fe compounds that do not cause sensory changes in the fortified product, such as ferric pyrophosphate (FePP), exhibit low absorption in humans. Tetra sodium pyrophosphate (NaPP) can form soluble complexes with Fe, which could increase Fe bioavailability. Therefore, the aim of this study was to investigate Fe bioavailability from bouillon cubes fortified with either FePP only, FePP+NaPP, ferrous sulphate (FeSO4) only, or FeSO4+NaPP. We first conducted in vitro studies using a protocol of simulated digestion to assess the dialysable and ionic Fe, and the cellular ferritin response in a Caco-2 cell model. Second, Fe absorption from bouillon prepared from intrinsically labelled cubes (2·5 mg stable Fe isotopes/cube) was assessed in twenty-four Fe-deficient women, by measuring Fe incorporation into erythrocytes 2 weeks after consumption. Fe bioavailability in humans increased by 46 % (P<0·005) when comparing bouillons fortified with FePP only (4·4 %) and bouillons fortified with FePP+NaPP (6·4 %). Fe absorption from bouillons fortified with FeSO4 only and with FeSO4+NaPP was 33·8 and 27·8 %, respectively (NS). The outcome from the human study is in agreement with the dialysable Fe from the in vitro experiments. Our findings suggest that the addition of NaPP could be a promising strategy to increase Fe absorption from FePP-fortified bouillon cubes, and if confirmed by further research, for other fortified foods with complex food matrices as well.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1324043-development-property-evaluation-nuclear-grade-wrought-fecral-fuel-cladding-light-water-reactors','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1324043-development-property-evaluation-nuclear-grade-wrought-fecral-fuel-cladding-light-water-reactors"><span>Development and property evaluation of nuclear grade wrought FeCrAl fuel cladding for light water reactors</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Yamamoto, Yukinori; Pint, Bruce A.; Terrani, Kurt A.; ...</p> <p>2015-10-19</p> <p>Development of nuclear grade, iron-based wrought FeCrAl alloys has been initiated for light water reactor (LWR) fuel cladding to serve as a substitute for zirconium-based alloys with enhanced accident tolerance. Ferritic alloys with sufficient chromium and aluminum additions can exhibit significantly improved oxidation kinetics in high-temperature steam environments when compared to zirconium-based alloys. In the first phase, a set of model FeCrAl alloys containing 10–20Cr, 3–5Al, and 0–0.12Y in weight percent, were prepared by conventional arc-melting and hot-working processes to explore the effect of composition on the properties of FeCrAlY alloys. It was found that the tensile properties were insensitivemore » to the alloy compositions studied; however, the steam oxidation resistance strongly depended on both the chromium and the aluminum contents. The second phase development focused on strengthening Fe-13Cr-5Al with minor alloying additions of molybdenum, niobium, and silicon. Combined with an optimized thermo-mechanical treatment, a thermally stable microstructure was produced with improved tensile properties at temperatures up to 741°C.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28673824','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28673824"><span>Incorporating ligament laxity in a finite element model for the upper cervical spine.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Lasswell, Timothy L; Cronin, Duane S; Medley, John B; Rasoulinejad, Parham</p> <p>2017-11-01</p> <p>Predicting physiological range of motion (ROM) using a finite element (FE) model of the upper cervical spine requires the incorporation of ligament laxity. The effect of ligament laxity can be observed only on a macro level of joint motion and is lost once ligaments have been dissected and preconditioned for experimental testing. As a result, although ligament laxity values are recognized to exist, specific values are not directly available in the literature for use in FE models. The purpose of the current study is to propose an optimization process that can be used to determine a set of ligament laxity values for upper cervical spine FE models. Furthermore, an FE model that includes ligament laxity is applied, and the resulting ROM values are compared with experimental data for physiological ROM, as well as experimental data for the increase in ROM when a Type II odontoid fracture is introduced. The upper cervical spine FE model was adapted from a 50th percentile male full-body model developed with the Global Human Body Models Consortium (GHBMC). FE modeling was performed in LS-DYNA and LS-OPT (Livermore Software Technology Group) was used for ligament laxity optimization. Ordinate-based curve matching was used to minimize the mean squared error (MSE) between computed load-rotation curves and experimental load-rotation curves under flexion, extension, and axial rotation with pure moment loads from 0 to 3.5 Nm. Lateral bending was excluded from the optimization because the upper cervical spine was considered to be primarily responsible for flexion, extension, and axial rotation. Based on recommendations from the literature, four varying inputs representing laxity in select ligaments were optimized to minimize the MSE. Funding was provided by the Natural Sciences and Engineering Research Council of Canada as well as GHMBC. The present study was funded by the Natural Sciences and Engineering Research Council of Canada to support the work of one graduate student. There are no conflicts of interest to be reported. The MSE was reduced to 0.28 in the FE model with optimized ligament laxity compared with an MSE 0f 4.16 in the FE model without laxity. In all load cases, incorporating ligament laxity improved the agreement between the ROM of the FE model and the ROM of the experimental data. The ROM for axial rotation and extension was within one standard deviation of the experimental data. The ROM for flexion and lateral bending was outside one standard deviation of the experimental data, but a compromise was required to use one set of ligament laxity values to achieve a best fit to all load cases. Atlanto-occipital motion was compared as a ratio to overall ROM, and only in extension did the inclusion of ligament laxity not improve the agreement. After a Type II odontoid fracture was incorporated into the model, the increase in ROM was consistent with experimental data from the literature. The optimization approach used in this study provided values for ligament laxities that, when incorporated into the FE model, generally improved the ROM response when compared with experimental data. Successfully modeling a Type II odontoid fracture showcased the robustness of the FE model, which can now be used in future biomechanics studies. Copyright © 2017 Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016NatSR...626615W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016NatSR...626615W"><span>Novel insights into iron regulation and requirement in marine medaka Oryzias melastigma</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, Jian; Wang, Wen-Xiong</p> <p>2016-05-01</p> <p>Iron (Fe) is an essential trace element for marine fish. However, our knowledge of Fe requirements at different development stages of marine fish is still limited. Here, we reported the efficient Fe absorption strategies adopted by larval fish under different dietary Fe supplementary levels (i.e., 0-640 mg/kg). Biokinetically, the larval fish controlled their dietary Fe assimilation efficiency (AE, 1.6-18.5%), and enhanced their waterborne Fe uptake (ca. 2.5 fold change of uptake rate constant) once the dietary Fe was deficient (i.e., 27.4 mg Fe/kg feed). Transcriptionally, the expression of hepcidin1 (hep1; Fe regulator; i.e., 2.3-15.7 fold change) in larval fish was positively correlated with the Fe supplementary levels. Comparatively, the female adult fish were poor in assimilating the added Fe source (i.e., ferric form) with similar life-sustainable levels of Fe (i.e., 0.046-0.12 μg/g/d assimilated for Fe supplementary levels of 27.4, 162 and 657 mg Fe/kg feed). The overall feeding experiments suggested that dietary net Fe flux sufficient for the normal growth of larval medaka was 0.71-1.75 μg/g/d (i.e., 83.9 mg Fe/kg feed), consistent with the modeled value (i.e., 1.09-2.16 μg/g/d). In female adults, the estimated essential net Fe flux was 0.88-0.90 μg/g/d.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21128192','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21128192"><span>A pseudo-elastic effective material property representation of the costal cartilage for use in finite element models of the whole human body.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Forman, Jason L; de Dios, Eduardo del Pozo; Kent, Richard W</p> <p>2010-12-01</p> <p>Injury-predictive finite element (FE) models of the chest must reproduce the structural coupling behavior of the costal cartilage accurately. Gross heterogeneities (the perichondrium and calcifications) may cause models developed based on local material properties to erroneously predict the structural behavior of cartilage segments. This study sought to determine the pseudo-elastic effective material properties required to reproduce the structural behavior of the costal cartilage under loading similar to what might occur in a frontal automobile collision. Twenty-eight segments of cadaveric costal cartilage were subjected to cantilever-like, dynamic loading. Three limited-mesh FE models were then developed for each specimen, having element sizes of 10 mm (typical of current whole-body FE models), 3 mm, and 2 mm. The cartilage was represented as a homogeneous, isotropic, linear elastic material. The elastic moduli of the cartilage models were optimized to fit the anterior-posterior (x-axis) force versus displacement responses observed in the experiments. For a subset of specimens, additional model validation tests were performed under a second boundary condition. The pseudo-elastic effective moduli ranged from 4.8 to 49 MPa, with an average and standard deviation of 22 ± 13.6 MPa. The models were limited in their ability to reproduce the lateral (y-axis) force responses observed in the experiments. The prediction of the x-axis and y-axis forces in the second boundary condition varied. Neither the effective moduli nor the model fit were significantly affected (Student's t-test, p < 0.05) by the model mesh density. The average pseudo-elastic effective moduli were significantly (p < 0.05) greater than local costal cartilage modulus values reported in the literature. These results are consistent with the presence of stiffening heterogeneities within the costal cartilage structure. These effective modulus values may provide guidance for the representation of the costal cartilage in whole-body FE models where these heterogeneities cannot be modeled distinctly.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20130008652','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20130008652"><span>Biomedical Simulation Models of Human Auditory Processes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Bicak, Mehmet M. A.</p> <p>2012-01-01</p> <p>Detailed acoustic engineering models that explore noise propagation mechanisms associated with noise attenuation and transmission paths created when using hearing protectors such as earplugs and headsets in high noise environments. Biomedical finite element (FE) models are developed based on volume Computed Tomography scan data which provides explicit external ear, ear canal, middle ear ossicular bones and cochlea geometry. Results from these studies have enabled a greater understanding of hearing protector to flesh dynamics as well as prioritizing noise propagation mechanisms. Prioritization of noise mechanisms can form an essential framework for exploration of new design principles and methods in both earplug and earcup applications. These models are currently being used in development of a novel hearing protection evaluation system that can provide experimentally correlated psychoacoustic noise attenuation. Moreover, these FE models can be used to simulate the effects of blast related impulse noise on human auditory mechanisms and brain tissue.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1210133-thermal-stability-intermetallic-phases-fe-rich-fe-cr-ni-mo-alloys','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1210133-thermal-stability-intermetallic-phases-fe-rich-fe-cr-ni-mo-alloys"><span>Thermal stability of intermetallic phases in Fe-rich Fe-Cr-Ni-Mo alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Yang, Ying; Tan, Lizhen; Busby, Jeremy T.</p> <p>2015-06-12</p> <p>Understanding the stability of precipitate phases in the Fe-rich Fe-Cr-Ni-Mo alloys is critical to the alloy design and application of Mo-containing Austenitic steels. Coupled with thermodynamic modeling, stability of the chi and Laves phases in two Fe-Cr-Ni-Mo alloys were investigated at 1000, 850 and 700 °C for different annealing time. The morphologies, compositions and crystal structures of the matrix and precipitate phases were carefully examined by Scanning Electron Microscopy, Electron Probe Microanalysis, X-ray diffraction and Transmission Electron Microscopy. The two key findings resulted from this work. One is that the chi phase is stable at high temperature and transformed intomore » the Laves phase at low temperature. The other is that both the chi and Laves phases have large solubilites of Cr, Mo and Ni, among which the Mo solubility has a major role on the relative stability of the precipitate phases. The developed thermodynamic models were then applied to evaluating the Mo effect on the stability of precipitate phases in AISI 316 and NF709 alloys.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007JCHyd..94..305B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007JCHyd..94..305B"><span>Immobilization of uranium and arsenic by injectible iron and hydrogen stimulated autotrophic sulphate reduction</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Burghardt, D.; Simon, E.; Knöller, K.; Kassahun, A.</p> <p>2007-12-01</p> <p>The main object of the study was the development of a long-term efficient and inexpensive in-situ immobilization technology for uranium (U) and arsenic (As) in smaller and decentralized groundwater discharges from abandoned mining processing sites. Therefore, corrosion of grey cast iron (gcFe) and nano-scale iron particles (naFe) as well as hydrogen stimulated autotrophic sulphate reduction (aSR) were investigated. Two column experiments with sulphate reducing bacterias (SRB) (biotic gcFe , biotic naFe) and one abiotic gcFe-column experiment were performed. In the biotic naFe column, no particle translocation was observed and a temporary but intensive naFe corrosion indicated by a decrease in Eh, a pH increase and H 2 evolution. Decreasing sulphate concentrations and 34S enrichment in the column effluent indicated aSR. Fe(II) retention could be explained by siderite and consequently FeS precipitation by geochemical modeling (PhreeqC). U and As were completely immobilised within the biotic naFe column. In the biotic gcFe column, particle entrapment in open pore spaces resulted in a heterogeneous distribution of Fe-enriched zones and an increase in permeability due to preferential flow. However, Fe(II) concentrations in the effluent indicated a constant and lasting gcFe corrosion. An efficient immobilization was found for As, but not for U.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5133116','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5133116"><span>The Combined Application of the Caco-2 Cell Bioassay Coupled with In Vivo (Gallus gallus) Feeding Trial Represents an Effective Approach to Predicting Fe Bioavailability in Humans</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Tako, Elad; Bar, Haim; Glahn, Raymond P.</p> <p>2016-01-01</p> <p>Research methods that predict Fe bioavailability for humans can be extremely useful in evaluating food fortification strategies, developing Fe-biofortified enhanced staple food crops and assessing the Fe bioavailability of meal plans that include such crops. In this review, research from four recent poultry (Gallus gallus) feeding trials coupled with in vitro analyses of Fe-biofortified crops will be compared to the parallel human efficacy studies which used the same varieties and harvests of the Fe-biofortified crops. Similar to the human studies, these trials were aimed to assess the potential effects of regular consumption of these enhanced staple crops on maintenance or improvement of iron status. The results demonstrate a strong agreement between the in vitro/in vivo screening approach and the parallel human studies. These observations therefore indicate that the in vitro/Caco-2 cell and Gallus gallus models can be integral tools to develop varieties of staple food crops and predict their effect on iron status in humans. The cost-effectiveness of this approach also means that it can be used to monitor the nutritional stability of the Fe-biofortified crop once a variety has released and integrated into the food system. These screening tools therefore represent a significant advancement to the field for crop development and can be applied to ensure the sustainability of the biofortification approach. PMID:27869705</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2005ASAJ..118.1847K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2005ASAJ..118.1847K"><span>Development of new vibration energy flow analysis software and its applications to vehicle systems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kim, D.-J.; Hong, S.-Y.; Park, Y.-H.</p> <p>2005-09-01</p> <p>The Energy flow analysis (EFA) offers very promising results in predicting the noise and vibration responses of system structures in medium-to-high frequency ranges. We have developed the Energy flow finite element method (EFFEM) based software, EFADSC++ R4, for the vibration analysis. The software can analyze the system structures composed of beam, plate, spring-damper, rigid body elements and many other components developed, and has many useful functions in analysis. For convenient use of the software, the main functions of the whole software are modularized into translator, model-converter, and solver. The translator module makes it possible to use finite element (FE) model for the vibration analysis. The model-converter module changes FE model into energy flow finite element (EFFE) model, and generates joint elements to cover the vibrational attenuation in the complex structures composed of various elements and can solve the joint element equations by using the wave tra! nsmission approach very quickly. The solver module supports the various direct and iterative solvers for multi-DOF structures. The predictions of vibration for real vehicles by using the developed software were performed successfully.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1992Metic..27Q.288S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1992Metic..27Q.288S"><span>Evidence for a Late Reducing Event in IAB-Silicate Inclusions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Seckendorff, V. V.; O'Neill, H. St. C.; Zipfel, J.; Palme, H.</p> <p>1992-07-01</p> <p>Coexisting orthopyroxene (opx) and olivine (ol) in silicate inclusions of IAB-iron meteorites have different Fe/(Fe+Mg) ratios. Ferrosilite (fs) contents of opx are higher than fayalite contents (fa) of ol (e.g., Bunch and Keil 1970). Non-ideal solid solution of fs in opx and/or fa in ol is generally assumed. We reinvestigated the equilibrium Fe-Mg distribution between coexisting ol+opx in the system MgO-FeO-SiO2 (von Seckendorff and O'Neill 1992). Reversal experiments at high- Mg compositions were performed from 900 to 1600 degrees C at 16 and 20 kbar using a barium borosilicate flux. The data could be fitted to a simple thermodynamic model with ol and opx treated as regular solutions and this model was found to describe satisfactorily the literature data extending down to 700 degrees C. For Fe/(Fe+Mg) between 0.05 to 0.15 we find KD^ol-opx close to one from 1600 to 700 degrees C, virtually independent of pressure and temperature. Fig. 1 shows experimental results at the Mg-rich end. Error bars mark 1-sigma standard deviations. Ol is in all cases more Fe-rich than coexisting opx, except for a single run at 1000 degrees C that probably did not reach equilibrium because of slow reaction kinetics. Two calculated distribution curves (1300, 700 degrees C at 16 kbar) lie close together indicating the absence of any significant temperature dependence of the exchange reaction at the Mg- rich end of the system. IAB-silicate inclusions plot outside the range of experimental data (Fig. 1). Although some previous models for Fe-Mg exchange between ol and opx (e.g., Sack 1980) extrapolate to KD<1 at temperatures near 500 degrees C, such models reproduce the experimental data (700 to 1600 degrees C) less well, than our updated model. In addition, temperatures at 500 degrees C are probably too low to allow Fe diffusion in opx. Two pyroxene equilibration temperatures of IAB-silicate inclusions are around 900-1000 degrees C suggesting a similar closure temperature for Fe diffusion in opx. Because of this and because of the essentially temperature-independent Fe-Mg distribution between ol and opx from 1600 to 700 degrees C, we conclude that the Fe-Mg distribution between ol and opx in IAB-silicate inclusion does not reflect thermodynamic equilibrium. As Fe-diffusion in ol is faster than in opx, redistribution of Fe in ol should have occurred at a temperature below the closure temperature for Fe-diffusion in opx. We suggest that FeO in ol was reduced to Fe metal by some species such as C, P, S, etc. A lower limit for the temperature of the reducing event is provided by Ca-zoning in ol, which develops below 650 degrees C (Kohler et al. 1991). Since strong FeO zoning in ol is absent, reduction of FeO in ol should have occurred above 650 degrees C, assuming similar diffusion coefficients for Ca and Fe in ol. References: Bunch T.E. and Keil K. (1970) Contrib. Mineral. Petrol. 25, 297-340. Kohler T., Palme H. and Brey G. (1991) N. Jb. Miner. Mh. 9, 423-431. Sack R.O. (1980) Contrib. Mineral. Petrol. 71, 257-269. v. Seckendorff V. and O'Neill H.St.C. (1992) Contr. Min. Petrol. (submitted).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19222567','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19222567"><span>Application of thin-plate spline transformations to finite element models, or, how to turn a bog turtle into a spotted turtle to analyze both.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Stayton, C Tristan</p> <p>2009-05-01</p> <p>Finite element (FE) models are popular tools that allow biologists to analyze the biomechanical behavior of complex anatomical structures. However, the expense and time required to create models from specimens has prevented comparative studies from involving large numbers of species. A new method is presented for transforming existing FE models using geometric morphometric methods. Homologous landmark coordinates are digitized on the FE model and on a target specimen into which the FE model is being transformed. These coordinates are used to create a thin-plate spline function and coefficients, which are then applied to every node in the FE model. This function smoothly interpolates the location of points between landmarks, transforming the geometry of the original model to match the target. This new FE model is then used as input in FE analyses. This procedure is demonstrated with turtle shells: a Glyptemys muhlenbergii model is transformed into Clemmys guttata and Actinemys marmorata models. Models are loaded and the resulting stresses are compared. The validity of the models is tested by crushing actual turtle shells in a materials testing machine and comparing those results to predictions from FE models. General guidelines, cautions, and possibilities for this procedure are also presented.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29595255','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29595255"><span>Linking Thermodynamics to Pollutant Reduction Kinetics by Fe2+ Bound to Iron Oxides.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Stewart, Sydney M; Hofstetter, Thomas B; Joshi, Prachi; Gorski, Christopher A</p> <p>2018-05-15</p> <p>Numerous studies have reported that pollutant reduction rates by ferrous iron (Fe 2+ ) are substantially enhanced in the presence of an iron (oxyhydr)oxide mineral. Developing a thermodynamic framework to explain this phenomenon has been historically difficult due to challenges in quantifying reduction potential ( E H ) values for oxide-bound Fe 2+ species. Recently, our group demonstrated that E H values for hematite- and goethite-bound Fe 2+ can be accurately calculated using Gibbs free energy of formation values. Here, we tested if calculated E H values for oxide-bound Fe 2+ could be used to develop a free energy relationship capable of describing variations in reduction rate constants of substituted nitrobenzenes, a class of model pollutants that contain reducible aromatic nitro groups, using data collected here and compiled from the literature. All the data could be described by a single linear relationship between the logarithms of the surface-area-normalized rate constant ( k SA ) values and E H and pH values [log( k SA ) = - E H /0.059 V - pH + 3.42]. This framework provides mechanistic insights into how the thermodynamic favorability of electron transfer from oxide-bound Fe 2+ relates to redox reaction kinetics.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27109554','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27109554"><span>Estimation of Local Bone Loads for the Volume of Interest.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kim, Jung Jin; Kim, Youkyung; Jang, In Gwun</p> <p>2016-07-01</p> <p>Computational bone remodeling simulations have recently received significant attention with the aid of state-of-the-art high-resolution imaging modalities. They have been performed using localized finite element (FE) models rather than full FE models due to the excessive computational costs of full FE models. However, these localized bone remodeling simulations remain to be investigated in more depth. In particular, applying simplified loading conditions (e.g., uniform and unidirectional loads) to localized FE models have a severe limitation in a reliable subject-specific assessment. In order to effectively determine the physiological local bone loads for the volume of interest (VOI), this paper proposes a novel method of estimating the local loads when the global musculoskeletal loads are given. The proposed method is verified for the three VOI in a proximal femur in terms of force equilibrium, displacement field, and strain energy density (SED) distribution. The effect of the global load deviation on the local load estimation is also investigated by perturbing a hip joint contact force (HCF) in the femoral head. Deviation in force magnitude exhibits the greatest absolute changes in a SED distribution due to its own greatest deviation, whereas angular deviation perpendicular to a HCF provides the greatest relative change. With further in vivo force measurements and high-resolution clinical imaging modalities, the proposed method will contribute to the development of reliable patient-specific localized FE models, which can provide enhanced computational efficiency for iterative computing processes such as bone remodeling simulations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015NIMPB.352...36H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015NIMPB.352...36H"><span>Cascades in model steels: The effect of cementite (Fe3C) and Cr23C6 particles on short-term crystal damage</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Henriksson, K. O. E.</p> <p>2015-06-01</p> <p>Ferritic stainless steel can be modeled as an iron matrix containing precipitates of cementite (Fe3C) and Cr23C6. When used in nuclear power production the steels in the vicinity of the core start to accumulate damage due to neutrons. The role of the afore-mentioned carbides in this process is not well understood. In order to clarify the situation bulk cascades created by primary recoils in model steels have been carried out in the present work. Investigated configurations consisted of bulk ferrite containing spherical particles (diameter of 4 nm) of either (1) Fe3C or (2) Cr23C6. Primary recoils were initiated at different distances from the inclusions, with recoil energies varying between 100 eV and 1 keV. Results for the number of point defects such as vacancies and antisites are presented. These findings indicate that defects are also remaining when cascades are started outside the carbide inclusions. The work uses a recently developed Abell-Brenner-Tersoff potential for the Fe-Cr-C system.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26230416','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26230416"><span>From military to civil loadings: Preliminary numerical-based thorax injury criteria investigations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Goumtcha, Aristide Awoukeng; Bodo, Michèle; Taddei, Lorenzo; Roth, Sébastien</p> <p>2016-03-01</p> <p>Effects of the impact of a mechanical structure on the human body are of great interest in the understanding of body trauma. Experimental tests have led to first conclusions about the dangerousness of an impact observing impact forces or displacement time history with PMHS (Post Mortem human Subjects). They have allowed providing interesting data for the development and the validation of numerical biomechanical models. These models, widely used in the framework of automotive crashworthiness, have led to the development of numerical-based injury criteria and tolerance thresholds. The aim of this process is to improve the safety of mechanical structures in interaction with the body. In a military context, investigations both at experimental and numerical level are less successfully completed. For both military and civil frameworks, the literature list a number of numerical analysis trying to propose injury mechanisms, and tolerance thresholds based on biofidelic Finite Element (FE) models of different part of the human body. However the link between both frameworks is not obvious, since lots of parameters are different: great mass impacts at relatively low velocity for civil impacts (falls, automotive crashworthiness) and low mass at very high velocity for military loadings (ballistic, blast). In this study, different accident cases were investigated, and replicated with a previously developed and validated FE model of the human thorax named Hermaphrodite Universal Biomechanical YX model (HUBYX model). These previous validations included replications of standard experimental tests often used to validate models in the context of automotive industry, experimental ballistic tests in high speed dynamic impact and also numerical replication of blast loading test ensuring its biofidelity. In order to extend the use of this model in other frameworks, some real-world accidents were reconstructed, and consequences of these loadings on the FE model were explored. These various numerical replications of accident coming from different contexts raise the question about the ability of a FE model to correctly predict several kinds of trauma, from blast or ballistic impacts to falls, sports or automotive ones in a context of numerical injury mechanisms and tolerance limits investigations. Copyright © 2015 John Wiley & Sons, Ltd.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JAP...123j5102S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JAP...123j5102S"><span>"Negative capacitance" in resistor-ferroelectric and ferroelectric-dielectric networks: Apparent or intrinsic?</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Saha, Atanu K.; Datta, Suman; Gupta, Sumeet K.</p> <p>2018-03-01</p> <p>In this paper, we describe and analytically substantiate an alternate explanation for the negative capacitance (NC) effect in ferroelectrics (FE). We claim that the NC effect previously demonstrated in resistance-ferroelectric (R-FE) networks does not necessarily validate the existence of "S" shaped relation between polarization and voltage (according to Landau theory). In fact, the NC effect can be explained without invoking the "S"-shaped behavior of FE. We employ an analytical model for FE (Miller model) in which the steady state polarization strictly increases with the voltage across the FE and show that despite the inherent positive FE capacitance, reduction in FE voltage with the increase in its charge is possible in a R-FE network as well as in a ferroelectric-dielectric (FE-DE) stack. This can be attributed to a large increase in FE capacitance near the coercive voltage coupled with the polarization lag with respect to the electric field. Under certain conditions, these two factors yield transient NC effect. We analytically derive conditions for NC effect in R-FE and FE-DE networks. We couple our analysis with extensive simulations to explain the evolution of NC effect. We also compare the trends predicted by the aforementioned Miller model with Landau-Khalatnikov (L-K) model (static negative capacitance due to "S"-shape behaviour) and highlight the differences between the two approaches. First, with an increase in external resistance in the R-FE network, NC effect shows a non-monotonic behavior according to Miller model but increases according to L-K model. Second, with the increase in ramp-rate of applied voltage in the FE-DE stack, NC effect increases according to Miller model but decreases according to L-K model. These results unveil a possible way to experimentally validate the actual reason of NC effect in FE.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1337018','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1337018"><span>Experimental and Computational Investigation of High Entropy Alloys for Elevated-Temperature Applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Liaw, Peter; Zhang, Fan; Zhang, Chuan</p> <p>2016-07-30</p> <p>To create and design novel structural materials with enhanced creep-resistance, fundamental studies have been conducted on high-entropy alloys (HEAs), using (1) thermodynamic calculations, (2) mechanical tests, (3) neutron diffraction, (4) characterization techniques, and (5) crystal-plasticity finite-element modeling (CPFEM), to explore future candidates for next-generation power plants. All the constituent binary and ternary systems of the Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems were thermodynamically modeled within the whole composition range. Comparisons between the calculated phase diagrams and literature data are in good agreement. Seven types of HEAs were fabricated from Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems. The Al xCrCuFeMnNi HEAs have disordered [face-centered cubic (FCC)more » + body-centered cubic (BCC)] crystal structures, not FCC or BCC single structure. Excessive alloying of the Al element results in the change of both microstructural and mechanical properties in Al xCoCrFeNi HEAs. There are mainly three structural features in Al xCoCrFeNi: (1) the morphology, (2) the volume fractions of the constitute phases, and (3) existing temperatures of all six phases. After homogenization, the Al 0.3CoCrFeNi material is a pure FCC solid solution. After aging at 700 °C for 500 hours, the optimal microstructure combinations, the FCC matrix, needle-like B2 phase within grains, and granular σ phase along grain boundary, is achieved for Al 0.3CoCrFeNi. The cold-rolling process is utilized to reduce the grain size of Al 0.1CoCrFeNi and Al 0.3CoCrFeNi. The chemical elemental partitioning of FCC, BCC, B2, and σphases at different temperatures, before and after mechanical tests, in Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems are quantitatively characterized by both synchrotron X-ray diffraction, neutron diffraction with levitation, scanning electron microscopy (SEM), advanced atom probe tomography (APT), and transmission electron microscopy (TEM). In-situ neutron diffraction experiments were conducted to study the strengthening effect of B2 phase on tensile properties of Al 0.3CoCrFeNi HEAs directly. The results shows the creep behavior of Al 0.3CoCrFeNi is superior to conventional alloys, and the heat treatment introduces secondary B2 phase into the FCC matrix, which increase the yielding strength, decrease the ductility, diminish the serrated flow during compression tests at high temperatures. In summary, the outcomes of the development of the HEAs with creep resistance include: (1) Suitable candidates, for the application to boilers and steam and gas turbines at temperatures above 760 °C and a stress of 35 MPa. (2) Fundamental understanding on the precipitate stability and deformation mechanisms of both single-phase and precipitate-strengthened alloys at room and elevated temperatures, and (3) The demonstration of an integrated approach, coupling modeling [thermodynamic calculations and crystal-plasticity finite-element modeling (CPFEM)] and focused experiments, to identify HEAs that outperform conventional alloys for high-temperature applications, which will be applicable for the discovery and development of other high-temperature materials in the power-generating industry.« less</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li class="active"><span>10</span></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_10 --> <div id="page_11" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li class="active"><span>11</span></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="201"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AcSN....5....6A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AcSN....5....6A"><span>Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III)-Fe(III)-Cr(III)-Cl-H2O system at 25°C</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>André, Laurent; Christov, Christomir; Lassin, Arnault; Azaroual, Mohamed</p> <p>2018-03-01</p> <p>The knowledge of the thermodynamic behavior of multicomponent aqueous electrolyte systems is of main interest in geo-, and environmental-sciences. The main objective of this study is the development of a high accuracy thermodynamic model for solution behavior, and highly soluble M(III)Cl3(s) (M= Al, Fe, Cr) minerals solubility in Na-Al(III)-Cr(III)-Fe(III)-Cl-H2O system at 25°C. Comprehensive thermodynamic models that accurately predict aluminium, chromium and iron aqueous chemistry and M(III) mineral solubilities as a function of pH, solution composition and concentration are critical for understanding many important geochemical and environmental processes involving these metals (e.g., mineral dissolution/alteration, rock formation, changes in rock permeability and fluid flow, soil formation, mass transport, toxic M(III) remediation). Such a model would also have many industrial applications (e.g., aluminium, chromium and iron production, and their corrosion, solve scaling problems in geothermal energy and oil production). Comparisons of solubility and activity calculations with the experimental data in binary and ternary systems indicate that model predictions are within the uncertainty of the data. Limitations of the model due to data insufficiencies are discussed. The solubility modeling approach, implemented to the Pitzer specific interaction equations is employed. The resulting parameterization was developed for the geochemical Pitzer formalism based PHREEQC database.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017RJPCA..91.2593L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017RJPCA..91.2593L"><span>3D Computer Models of T- x- y Diagrams, Forming the Fe-Ni-Co-FeS-NiS-CoS Subsystem</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lutsyk, V. I.; Vorob'eva, V. P.</p> <p>2017-12-01</p> <p>3D computer models of Fe-Ni-Co, Fe-Ni-FeS-NiS, Fe-Co-FeS-CoS, Ni-Co-NiS-CoS T- x- y diagrams have been designed. The geometric structure (35 surfaces, two-phase surface of the reaction type change, 17 phase regions) of the Fe-Ni-FeS-NiS T- x- y diagram is investigated in detail. The liquidus hypersurfaces prediction of the Fe-Ni-Co-FeS-NiS-CoS subsystem is represented.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/20079496','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/20079496"><span>Wound ballistics of the pig mandibular angle: a preliminary finite element analysis and experimental study.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Chen, Yubin; Miao, Yingyun; Xu, Chuan; Zhang, Gang; Lei, Tao; Tan, Yinghui</p> <p>2010-04-19</p> <p>To study wound ballistics of the mandibular angle, a combined hexahedral-tetrahedral finite element (FE) model of the pig mandible was developed to simulate ballistic impact. An experimental study was carried out by measuring impact load parameters from 14 fresh pig mandibles that were shot at the mandibular angle by a standard 7.62 mm M43 bullet. FE analysis was executed through the LS-DYNA code under impact loads similar to those obtained from the experimental study. The resulting residual velocity, the transferred energy from the bullet to the mandible, and the surface area of the entrance wound had no statistical differences between the FE simulation and the experimental study. However, the mean surface area of the exit wounds in the experimental study was significantly larger than that in the simulation. According to the FE analysis, the stress concentrated zones were mainly located at the region of impact, condylar neck, coronoid process and mandibular body. The simulation results also indicated that trabecular bone had less stress concentration and a lower speed of stress propagation compared with cortical bone. The FE model is appropriate and conforms to the basic principles of wound ballistics. This modeling system will be helpful for further investigations of the biomechanical mechanisms of wound ballistics. Copyright 2009 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28724628','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28724628"><span>Stiffness distribution in insect cuticle: a continuous or a discontinuous profile?</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Rajabi, H; Jafarpour, M; Darvizeh, A; Dirks, J-H; Gorb, S N</p> <p>2017-07-01</p> <p>Insect cuticle is a biological composite with a high degree of complexity in terms of both architecture and material composition. Given the complex morphology of many insect body parts, finite-element (FE) models play an important role in the analysis and interpretation of biomechanical measurements, taken by either macroscopic or nanoscopic techniques. Many previous studies show that the interpretation of nanoindentation measurements of this layered composite material is very challenging. To develop accurate FE models, it is of particular interest to understand more about the variations in the stiffness through the thickness of the cuticle. Considering the difficulties of making direct measurements, in this study, we use the FE method to analyse previously published data and address this issue numerically. For this purpose, sets of continuous or discontinuous stiffness profiles through the thickness of the cuticle were mathematically described. The obtained profiles were assigned to models developed based on the cuticle of three insect species with different geometries and layer configurations. The models were then used to simulate the mechanical behaviour of insect cuticles subjected to nanoindentation experiments. Our results show that FE models with discontinuous exponential stiffness gradients along their thickness were able to predict the stress and deformation states in insect cuticle very well. Our results further suggest that, for more accurate measurements and interpretation of nanoindentation test data, the ratio of the indentation depth to cuticle thickness should be limited to 7% rather than the traditional '10% rule'. The results of this study thus might be useful to provide a deeper insight into the biomechanical consequences of the distinct material distribution in insect cuticle and also to form a basis for more realistic modelling of this complex natural composite. © 2017 The Author(s).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016AGUFMOS43B2033G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016AGUFMOS43B2033G"><span>Kinetic model to explain the effect of ocean warming and acidification on the Fe(II) oxidation rate in oligotrophic and eutrophic natural waters</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>González-Dávila, M.; Samperio-Ramos, G.; Santana-Casiano, J. M.; Gonzallez, A. G.; Pérez-Almeida, N.</p> <p>2016-12-01</p> <p>The speciation of inorganic Fe(II) as a function of the pH and temperature have been modeled in order to elucidate the inorganic Fe(II) redox behavior over a wide range of scenarios of acidification and global warming of the upper ocean, as well as, changes due to natural ambient fluctuations of pH and temperature. In addition, a kinetic modeling approach has been carried out to elucidate the fractional contribution of most kinetically active Fe(II) species to the overall oxidation rate to improve our future and present knowledge with respect to redox iron chemistry in the marine systems. The kinetic model considers the interactions of Fe(II) with the major ions in seawater, including phosphate and silicate and the competition with copper with the ROS. The model has been applied to the experimental results in order to describe the effect of temperature and pH in the speciation of Fe(II) and to compute the fractional contribution of each Fe(II)-specie to the overall oxidation rate. The oxidation rates (kapp) of nanomolar levels of Fe(II) have been studied in seawater enriched with nutrients (SWEN) in air saturated conditions. The nutrient effect (nitrate, phosphate and silicate), on the oxidation of Fe(II), has been evaluated as a function of pH (7.2-8.2), temperature (5-35 ºC) and salinity (10-37.09). The oxidation of Fe(II) was faster in the presence of nutrient with the change in the Fe(II) oxidation rates (Δlogkapp) more intensive at higher temperatures over the entire pH range studied. From the model it can be observed that the inorganic speciation of Fe(II) is controlled largely by pH, either in SW or in SWEN. A greater presence of Fe-nutrient reactive species (FeH3SiO4+ and FePO4-) in SWEN at higher temperatures explained the changes in the oxidation process. The individual oxidation rates by oxygen, for the Fe(II) most kinetically active species (Fe2+, FeOH+, Fe(OH)2, FeCO3(OH)-, FeCO3, Fe(CO3)22-, FeH3SiO3+, FePO4-), were fitted as a function of the temperature.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016GeCoA.174..263K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016GeCoA.174..263K"><span>Estimates of atmospheric O2 in the Paleoproterozoic from paleosols</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kanzaki, Yoshiki; Murakami, Takashi</p> <p>2016-02-01</p> <p>A weathering model was developed to constrain the partial pressure of atmospheric O2 (PO2) in the Paleoproterozoic from the Fe records in paleosols. The model describes the Fe behavior in a weathering profile by dissolution/precipitation of Fe-bearing minerals, oxidation of dissolved Fe(II) to Fe(III) by oxygen and transport of dissolved Fe by water flow, in steady state. The model calculates the ratio of the precipitated Fe(III)-(oxyhydr)oxides from the dissolved Fe(II) to the dissolved Fe(II) during weathering (ϕ), as a function of PO2 . An advanced kinetic expression for Fe(II) oxidation by O2 was introduced into the model from the literature to calculate accurate ϕ-PO2 relationships. The model's validity is supported by the consistency of the calculated ϕ-PO2 relationships with those in the literature. The model can calculate PO2 for a given paleosol, once a ϕ value and values of the other parameters relevant to weathering, namely, pH of porewater, partial pressure of carbon dioxide (PCO2), water flow, temperature and O2 diffusion into soil, are obtained for the paleosol. The above weathering-relevant parameters were scrutinized for individual Paleoproterozoic paleosols. The values of ϕ, temperature, pH and PCO2 were obtained from the literature on the Paleoproterozoic paleosols. The parameter value of water flow was constrained for each paleosol from the mass balance of Si between water and rock phases and the relationships between water saturation ratio and hydraulic conductivity. The parameter value of O2 diffusion into soil was calculated for each paleosol based on the equation for soil O2 concentration with the O2 transport parameters in the literature. Then, we conducted comprehensive PO2 calculations for individual Paleoproterozoic paleosols which reflect all uncertainties in the weathering-relevant parameters. Consequently, robust estimates of PO2 in the Paleoproterozoic were obtained: 10-7.1-10-5.4 atm at ∼2.46 Ga, 10-5.0-10-2.5 atm at ∼2.15 Ga, 10-5.2-10-1.7 atm at ∼2.08 Ga and more than 10-4.6-10-2.0 atm at ∼1.85 Ga. Comparison of the present PO2 estimates to those in the literature suggests that a drastic rise of oxygen would not have occurred at ∼2.4 Ga, supporting a slightly rapid rise of oxygen at ∼2.4 Ga and a gradual rise of oxygen in the Paleoproterozoic in long term.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009SMaS...18j4020Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009SMaS...18j4020Y"><span>FE analysis of SMA-based bio-inspired bone-joint system</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yang, S.; Seelecke, S.</p> <p>2009-10-01</p> <p>This paper presents the finite element (FE) analysis of a bio-inspired bone-joint system. Motivated by the BATMAV project, which aims at the development of a micro-air-vehicle platform that implements bat-like flapping flight capabilities, we study the actuation of a typical elbow joint, using shape memory alloy (SMA) in a dual manner. Micro-scale martensitic SMA wires are used as 'metal muscles' to actuate a system of humerus, elbow joint and radius, in concert with austenitic wires, which operate as flexible joints due to their superelastic character. For the FE analysis, the humerus and radius are modeled as standard elastic beams, while the elbow joint and muscle wires use the Achenbach-Muller-Seelecke SMA model as beams and cable elements, respectively. The particular focus of the paper is on the implementation of the above SMA model in COMSOL.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1047395-force-field-development-molecular-dynamics-nife-hydrogenase','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1047395-force-field-development-molecular-dynamics-nife-hydrogenase"><span>Force Field Development and Molecular Dynamics of [NiFe] Hydrogenase</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Smith, Dayle MA; Xiong, Yijia; Straatsma, TP</p> <p>2012-05-09</p> <p>Classical molecular force-field parameters describing the structure and motion of metal clusters in [NiFe] hydrogenase enzymes can be used to compare the dynamics and thermodynamics of [NiFe] under different oxidation, protonation, and ligation circumstances. Using density functional theory (DFT) calculations of small model clusters representative of the active site and the proximal, medial, and distal Fe/S metal centers and their attached protein side chains, we have calculated classical force-field parameters for [NiFe] in reduced and oxidized states, including internal coordinates, force constants, and atom-centered charges. Derived force constants revealed that cysteinate ligands bound to the metal ions are more flexiblemore » in the Ni-B active site, which has a bridging hydroxide ligand, than in the Ni-C active site, which has a bridging hydride. Ten nanosecond all-atom, explicit-solvent MD simulations of [NiFe] hydrogenase in oxidized and reduced catalytic states established the stability of the derived force-field parameters in terms of C{alpha} and metal cluster fluctuations. Average active site structures from the protein MD simulations are consistent with [NiFe] structures from the Protein Data Bank, suggesting that the derived force-field parameters are transferrable to other hydrogenases beyond the structure used for testing. A comparison of experimental H{sub 2}-production rates demonstrated a relationship between cysteinate side chain rotation and activity, justifying the use of a fully dynamic model of [NiFe] metal cluster motion.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006AGUFM.V23C0636Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006AGUFM.V23C0636Z"><span>The role of water in generating Fe-depletion and the calc-alkaline trend</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zimmer, M. M.; Plank, T.</p> <p>2006-12-01</p> <p>Describing a magmatic suite as calc-alkaline (CA) or tholeiitic (TH) is a first order characterization, but existing classification schemes (AFM ternary plots and FeO*/MgO vs. SiO2) may convolute magmatic processes and can result in contradictory classification. The salient feature of TH vs. CA evolution is the extent of Fe enrichment or depletion in the magma. A plot of FeO* vs. MgO provides the most straightforward way to quantify Fe enrichment and to develop models for its origin. We present a new quantitative classification utilizing the FeO*-MgO plot, the tholeiitic index (THI) = Fe3-5/Fe8 (Fe3-5=average FeO* at 3-5 wt% MgO; Fe8=FeO* at 8 wt% MgO). THI of 1.2 indicates 20% FeO* enrichment from a magma's starting composition at Fe8, while THI of 0.8 indicates 20% depletion in FeO*. A magmatic suite is CA if THI is <1, and TH if THI is >1. Arcs range from 0.6 to 1.1, back arc basins from 1.1-1.3, and MORBs are \\ge1.6. This classification allows comparison of magmatic evolution on a global basis, regardless of starting composition, and is useful for quantitative comparison to liquid line of descent models. Hypotheses for generating CA magmas include high water contents, high pressure of crystallization, high oxygen fugacity, and high Mg# andesitic starting compositions. In order to test the control of H2O, we compare the THI to average magmatic water contents from undegassed melt inclusions and glasses (S>1000 ppm or CO2>50 ppm) from twenty-eight arc volcanoes and back arc basins, including new water contents from seven Aleutian volcanoes. The resulting negative correlation (R2=0.8) between water concentration and THI (with end-members at 0.8 wt% H2O, THI =1.3 and 6.1 wt% H2O, THI = 0.6) suggests water plays a fundamental role in generating the CA fractionation trend. MORB data plot off the trend at a higher THI, possibly related to lower oxygen fugacity during melting and/or crystallization. Models using the pMelts program are consistent with experimentally- and observationally-demonstrated effects of water on suppression of plagioclase and early formation of oxides relative to silicates during magma fractionation, and the resulting FeO* depletion with respect to decreasing MgO.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28831157','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28831157"><span>Composition formulas of Fe-based transition metals-metalloid bulk metallic glasses derived from dual-cluster model of binary eutectics.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Naz, Gul Jabeen; Dong, Dandan; Geng, Yaoxiang; Wang, Yingmin; Dong, Chuang</p> <p>2017-08-22</p> <p>It is known that bulk metallic glasses follow simple composition formulas [cluster](glue atom) 1 or 3 with 24 valence electrons within the framework of the cluster-plus-glue-atom model. Though the relevant nearest-neighbor cluster can be readily identified from a devitrification phase, the glue atoms remains poorly defined. The present work is devoted to understanding the composition rule of Fe-(B,P,C) based multi-component bulk metallic glasses, by introducing a cluster-based eutectic liquid model. This model regards a eutectic liquid to be composed of two stable liquids formulated respectively by cluster formulas for ideal metallic glasses from the two eutectic phases. The dual cluster formulas are first established for binary Fe-(B,C,P) eutectics: [Fe-Fe 14 ]B 2 Fe + [B-B 2 Fe 8 ]Fe ≈ Fe 83.3 B 16.7 for eutectic Fe 83 B 17 , [P-Fe 14 ]P + [P-Fe 9 ]P 2 Fe≈Fe 82.8 P 17.2 for Fe 83 P 17 , and [C-Fe 6 ]Fe 3 + [C-Fe 9 ]C 2 Fe ≈ Fe 82.6 C 17.4 for Fe 82.7 C 17.3 . The second formulas in these dual-cluster formulas, being respectively relevant to devitrification phases Fe 2 B, Fe 3 P, and Fe 3 C, well explain the compositions of existing Fe-based transition metals-metalloid bulk metallic glasses. These formulas also satisfy the 24-electron rule. The proposition of the composition formulas for good glass formers, directly from known eutectic points, constitutes a new route towards understanding and eventual designing metallic glasses of high glass forming abilities.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016MMTB...47.1187T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016MMTB...47.1187T"><span>A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho</p> <p>2016-04-01</p> <p>As part III of this series, the model is extended to iron oxide-containing melts. All available experimental data in the FeO-Fe2O3-Na2O-K2O-MgO-CaO-MnO-Al2O3-SiO2 system were critically evaluated based on the experimental condition. The variations of FeO and Fe2O3 in the melts were taken into account by using FactSage to calculate the Fe2+/Fe3+ distribution. The molar volume model with unary and binary model parameters can be used to predict the molar volume of the molten oxide of the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-FeO-Fe2O3-Al2O3-SiO2 system in the entire range of compositions, temperatures, and oxygen partial pressures from Fe saturation to 1 atm pressure.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20130014466','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20130014466"><span>Atmospheric Dissolved Iron Depostiion to the Global Oceans: Effects of Oxalate-Promoted Fe Dissolution, Photochemical Redox Cycling, and Dust Mineralogy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Johnson, M. S.; Meskhidze, N.</p> <p>2013-01-01</p> <p>Mineral dust deposition is suggested to be a significant atmospheric supply pathway of bioavailable iron (Fe) to Fe-depleted surface oceans. In this study, mineral dust and dissolved Fe (Fed) deposition rates are predicted for March 2009 to February 2010 using the 3-D chemical transport model GEOS-Chem implemented with a comprehensive dust-Fe dissolution scheme. The model simulates Fed production during the atmospheric transport of mineral dust taking into account inorganic and organic (oxalate)-promoted Fe dissolution processes, photochemical redox cycling between ferric (Fe(III)) and ferrous (Fe(II)) forms of Fe, dissolution of three different Fe-containing minerals (hematite, goethite, and aluminosilicates), and detailed mineralogy of windblown dust from the major desert regions. Our calculations suggest that during the yearlong simulation is approximately 0.26 Tg (1 Tg = 1012 g) of Fed was deposited to global oceanic regions. Compared to simulations only taking into account proton-promoted Fe dissolution, the addition of oxalate to the dust-Fe mobilization scheme increased total annual model-predicted Fed deposition to global oceanic regions by approximately 75%. The implementation of Fe(II)/Fe(III) photochemical redox cycling in the model allows for the distinction between different oxidation states of deposited Fed. Our calculations suggest that during the daytime, large fractions of Fed deposited to the global oceans is likely to be in Fe(II) form, while nocturnal fluxes of Fed are largely in Fe(III) form. Model simulations also show that atmospheric fluxes of Fed can be strongly influenced by the mineralogy of Fe-containing compounds. This study shows that Fed deposition to the oceans is controlled by total dust-Fe mass concentrations, mineralogy, the surface area of dust particles, atmospheric chemical composition, cloud processing, and meteorological parameters and exhibits complex and spatiotemporally variable patterns. Our study suggests that the explicit model representation of individual processes leading to Fed production within mineral dust are needed to improve the understanding of the atmospheric Fe cycle, and quantify the effect of dust-Fe on ocean biological productivity, carbon cycle, and climate.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24786914','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24786914"><span>Development and validation of a computational model of the knee joint for the evaluation of surgical treatments for osteoarthritis.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Mootanah, R; Imhauser, C W; Reisse, F; Carpanen, D; Walker, R W; Koff, M F; Lenhoff, M W; Rozbruch, S R; Fragomen, A T; Dewan, Z; Kirane, Y M; Cheah, K; Dowell, J K; Hillstrom, H J</p> <p>2014-01-01</p> <p>A three-dimensional (3D) knee joint computational model was developed and validated to predict knee joint contact forces and pressures for different degrees of malalignment. A 3D computational knee model was created from high-resolution radiological images to emulate passive sagittal rotation (full-extension to 65°-flexion) and weight acceptance. A cadaveric knee mounted on a six-degree-of-freedom robot was subjected to matching boundary and loading conditions. A ligament-tuning process minimised kinematic differences between the robotically loaded cadaver specimen and the finite element (FE) model. The model was validated by measured intra-articular force and pressure measurements. Percent full scale error between FE-predicted and in vitro-measured values in the medial and lateral compartments were 6.67% and 5.94%, respectively, for normalised peak pressure values, and 7.56% and 4.48%, respectively, for normalised force values. The knee model can accurately predict normalised intra-articular pressure and forces for different loading conditions and could be further developed for subject-specific surgical planning.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19900061719&hterms=evolution+rock&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D50%26Ntt%3Devolution%2Brock','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19900061719&hterms=evolution+rock&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D50%26Ntt%3Devolution%2Brock"><span>Iron-sulfur mineralogy of Mars - Magmatic evolution and chemical weathering products</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Burns, Roger G.; Fisher, Duncan S.</p> <p>1990-01-01</p> <p>Models are developed for the magmatic evolution and the oxidative weathering of sulfide minerals on Mars, based on petrogenetic associations among komatiitic rock types, Viking geochemical data, SNC meteorites, and terrestrial Fi-Ni deposits. The weathering model was tested by exposing komatiitic pyrrhotites and olivines to sulfuric acid solutions, with or without dissolved ferric iron, and identifying the reaction products by Moessbauer spectroscopy. The results suggest that, on Mars, acidic groundwater has induced oxidative weathering of pyrrhotite, yielding FeS2 and then FeOOH.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007PhDT.......157T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007PhDT.......157T"><span>The formation and stability of saline minerals at the Martian surface</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tosca, Nicholas James, III</p> <p></p> <p>Evaporite minerals have been identified throughout the martian sedimentary record. Because evaporites can record detailed paleo-environmental information and often host fossil biosignatures on Earth, they are priority targets for future exploration. However, understanding processes that control the formation of these minerals on Mars requires an understanding of the behavior of Fe in highly concentrated evaporating fluids. In this study, a model is developed using the Pitzer ion interaction approach that accurately describes thermodynamic properties of the Fe2(SO4)3-H2SO4-H 2O system. Incorporating this model into a multicomponent thermodynamic database enables detailed study of evaporite mineral formation and stability on Mars. From geochemical modeling, the variation in evaporite mineralogy on Mars may be traced to volatile-anion input -- a variable intimately tied to pH. Using the "chemical divide" concept, evaporites at the martian surface can be used as sensitive probes of pH, atmospheric composition, and cation proportion in solution. Applying this approach to saline assemblages in Nakhlite meteorites and in Meridiani Planum sediments reveals two geochemical systems; each characterized by different pH and anion proportion. A complicating factor however is the concomitant oxidation of soluble Fe-bearing minerals. Such a process may have contributed to complex Fe mineralogy observed at Meridiani Planum through diagenesis. Fe-oxidation experiments at high ionic strength show a progression of mineral phases that begins with the formation of schwertmannite and subsequent ageing to jarosite and nano-crystalline goethite; a process strongly controlled by pH. Low water activity and small particle size drive the ageing of goethite to hematite which provides the final step of a mechanism that is consistent with the distribution of Fe-minerals at Meridiani Planum. These results show that the instability of Fe2+-sulfate minerals at the martian surface may lead to the association of Fe-oxide and Fe-hydroxysulfate minerals with evaporite salts. Indeed, such a geologic association has been observed through remote sensing techniques. Thus, as the Fe-sulfates are sensitive to pH, Fe-oxidation and relative humidity, understanding these phase relationships in greater detail will ultimately exploit the presence of these minerals as a unique set of geochemical probes.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28877309','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28877309"><span>A Finite Element Model of a Midsize Male for Simulating Pedestrian Accidents.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Untaroiu, Costin D; Pak, Wansoo; Meng, Yunzhu; Schap, Jeremy; Koya, Bharath; Gayzik, Scott</p> <p>2018-01-01</p> <p>Pedestrians represent one of the most vulnerable road users and comprise nearly 22% the road crash-related fatalities in the world. Therefore, protection of pedestrians in car-to-pedestrian collisions (CPC) has recently generated increased attention with regulations involving three subsystem tests. The development of a finite element (FE) pedestrian model could provide a complementary component that characterizes the whole-body response of vehicle-pedestrian interactions and assesses the pedestrian injuries. The main goal of this study was to develop and to validate a simplified full body FE model corresponding to a 50th male pedestrian in standing posture (M50-PS). The FE model mesh and defined material properties are based on a 50th percentile male occupant model. The lower limb-pelvis and lumbar spine regions of the human model were validated against the postmortem human surrogate (PMHS) test data recorded in four-point lateral knee bending tests, pelvic\\abdomen\\shoulder\\thoracic impact tests, and lumbar spine bending tests. Then, a pedestrian-to-vehicle impact simulation was performed using the whole pedestrian model, and the results were compared to corresponding PMHS tests. Overall, the simulation results showed that lower leg response is mostly within the boundaries of PMHS corridors. In addition, the model shows the capability to predict the most common lower extremity injuries observed in pedestrian accidents. Generally, the validated pedestrian model may be used by safety researchers in the design of front ends of new vehicles in order to increase pedestrian protection.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=connected+AND+objects&pg=7&id=EJ779377','ERIC'); return false;" href="https://eric.ed.gov/?q=connected+AND+objects&pg=7&id=EJ779377"><span>Boundary Crossings in Research: Towards a Cultural Understanding of the Research Project "Transforming Learning Cultures in Further Education"</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Postlethwaite, Keith</p> <p>2007-01-01</p> <p>To achieve its aim of deepening understanding of the complexities of learning in Further Education (FE), the Transforming Learning Cultures in FE (TLC) project developed a model of learning as a cultural activity. The purpose of this paper is to explore the implications of taking a cultural view, not of learning, but of the research itself. The…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26027976','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26027976"><span>Age- and sex-specific thorax finite element model development and simulation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Schoell, Samantha L; Weaver, Ashley A; Vavalle, Nicholas A; Stitzel, Joel D</p> <p>2015-01-01</p> <p>The shape, size, bone density, and cortical thickness of the thoracic skeleton vary significantly with age and sex, which can affect the injury tolerance, especially in at-risk populations such as the elderly. Computational modeling has emerged as a powerful and versatile tool to assess injury risk. However, current computational models only represent certain ages and sexes in the population. The purpose of this study was to morph an existing finite element (FE) model of the thorax to depict thorax morphology for males and females of ages 30 and 70 years old (YO) and to investigate the effect on injury risk. Age- and sex-specific FE models were developed using thin-plate spline interpolation. In order to execute the thin-plate spline interpolation, homologous landmarks on the reference, target, and FE model are required. An image segmentation and registration algorithm was used to collect homologous rib and sternum landmark data from males and females aged 0-100 years. The Generalized Procrustes Analysis was applied to the homologous landmark data to quantify age- and sex-specific isolated shape changes in the thorax. The Global Human Body Models Consortium (GHBMC) 50th percentile male occupant model was morphed to create age- and sex-specific thoracic shape change models (scaled to a 50th percentile male size). To evaluate the thoracic response, 2 loading cases (frontal hub impact and lateral impact) were simulated to assess the importance of geometric and material property changes with age and sex. Due to the geometric and material property changes with age and sex, there were observed differences in the response of the thorax in both the frontal and lateral impacts. Material property changes alone had little to no effect on the maximum thoracic force or the maximum percent compression. With age, the thorax becomes stiffer due to superior rotation of the ribs, which can result in increased bone strain that can increase the risk of fracture. For the 70-YO models, the simulations predicted a higher number of rib fractures in comparison to the 30-YO models. The male models experienced more superior rotation of the ribs in comparison to the female models, which resulted in a higher number of rib fractures for the males. In this study, age- and sex-specific thoracic models were developed and the biomechanical response was studied using frontal and lateral impact simulations. The development of these age- and sex-specific FE models of the thorax will lead to an improved understanding of the complex relationship between thoracic geometry, age, sex, and injury risk.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011AGUFM.H51C1214S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011AGUFM.H51C1214S"><span>Reactive Transport Modeling of Microbe-mediated Fe (II) Oxidation for Enhanced Oil Recovery</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Surasani, V.; Li, L.</p> <p>2011-12-01</p> <p>Microbially Enhanced Oil Recovery (MEOR) aims to improve the recovery of entrapped heavy oil in depleted reservoirs using microbe-based technology. Reservoir ecosystems often contain diverse microbial communities those can interact with subsurface fluids and minerals through a network of nutrients and energy fluxes. Microbe-mediated reactions products include gases, biosurfactants, biopolymers those can alter the properties of oil and interfacial interactions between oil, brine, and rocks. In addition, the produced biomass and mineral precipitates can change the reservoir permeability profile and increase sweeping efficiency. Under subsurface conditions, the injection of nitrate and Fe (II) as the electron acceptor and donor allows bacteria to grow. The reaction products include minerals such as Fe(OH)3 and nitrogen containing gases. These reaction products can have large impact on oil and reservoir properties and can enhance the recovery of trapped oil. This work aims to understand the Fe(II) oxidation by nitrate under conditions relevant to MEOR. Reactive transport modeling is used to simulate the fluid flow, transport, and reactions involved in this process. Here we developed a complex reactive network for microbial mediated nitrate-dependent Fe (II) oxidation that involves both thermodynamic controlled aqueous reactions and kinetic controlled Fe (II) mineral reaction. Reactive transport modeling is used to understand and quantify the coupling between flow, transport, and reaction processes. Our results identify key parameter controls those are important for the alteration of permeability profile under field conditions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23202010','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23202010"><span>A finite-element simulation of galvanic coupling intra-body communication based on the whole human body.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Song, Yong; Zhang, Kai; Hao, Qun; Hu, Lanxin; Wang, Jingwen; Shang, Fuzhou</p> <p>2012-10-09</p> <p>Simulation based on the finite-element (FE) method plays an important role in the investigation of intra-body communication (IBC). In this paper, a finite-element model of the whole body model used for the IBC simulation is proposed and verified, while the FE simulation of the galvanic coupling IBC with different signal transmission paths has been achieved. Firstly, a novel finite-element method for modeling the whole human body is proposed, and a FE model of the whole human body used for IBC simulation was developed. Secondly, the simulations of the galvanic coupling IBC with the different signal transmission paths were implemented. Finally, the feasibility of the proposed method was verified by using in vivo measurements within the frequency range of 10 kHz-5 MHz, whereby some important conclusions were deduced. Our results indicate that the proposed method will offer significant advantages in the investigation of the galvanic coupling intra-body communication.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li class="active"><span>11</span></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_11 --> <div id="page_12" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li class="active"><span>12</span></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="221"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3545581','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3545581"><span>A Finite-Element Simulation of Galvanic Coupling Intra-Body Communication Based on the Whole Human Body</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Song, Yong; Zhang, Kai; Hao, Qun; Hu, Lanxin; Wang, Jingwen; Shang, Fuzhou</p> <p>2012-01-01</p> <p>Simulation based on the finite-element (FE) method plays an important role in the investigation of intra-body communication (IBC). In this paper, a finite-element model of the whole body model used for the IBC simulation is proposed and verified, while the FE simulation of the galvanic coupling IBC with different signal transmission paths has been achieved. Firstly, a novel finite-element method for modeling the whole human body is proposed, and a FE model of the whole human body used for IBC simulation was developed. Secondly, the simulations of the galvanic coupling IBC with the different signal transmission paths were implemented. Finally, the feasibility of the proposed method was verified by using in vivo measurements within the frequency range of 10 kHz–5 MHz, whereby some important conclusions were deduced. Our results indicate that the proposed method will offer significant advantages in the investigation of the galvanic coupling intra-body communication. PMID:23202010</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21106418','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21106418"><span>Finite element analysis of gradient z-coil induced eddy currents in a permanent MRI magnet.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Li, Xia; Xia, Ling; Chen, Wufan; Liu, Feng; Crozier, Stuart; Xie, Dexin</p> <p>2011-01-01</p> <p>In permanent magnetic resonance imaging (MRI) systems, pulsed gradient fields induce strong eddy currents in the conducting structures of the magnet body. The gradient field for image encoding is perturbed by these eddy currents leading to MR image distortions. This paper presents a comprehensive finite element (FE) analysis of the eddy current generation in the magnet conductors. In the proposed FE model, the hysteretic characteristics of ferromagnetic materials are considered and a scalar Preisach hysteresis model is employed. The developed FE model was applied to study gradient z-coil induced eddy currents in a 0.5 T permanent MRI device. The simulation results demonstrate that the approach could be effectively used to investigate eddy current problems involving ferromagnetic materials. With the knowledge gained from this eddy current model, our next step is to design a passive magnet structure and active gradient coils to reduce the eddy current effects. Copyright © 2010 Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20170009431','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20170009431"><span>Evaluation of Mid-Size Male Hybrid III Models for use in Spaceflight Occupant Protection Analysis</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Putnam, J.; Somers, J.; Wells, J.; Newby, N.; Currie-Gregg, N.; Lawrence, C.</p> <p>2016-01-01</p> <p>Introduction: In an effort to improve occupant safety during dynamic phases of spaceflight, the National Aeronautics and Space Administration (NASA) has worked to develop occupant protection standards for future crewed spacecraft. One key aspect of these standards is the identification of injury mechanisms through anthropometric test devices (ATDs). Within this analysis, both physical and computational ATD evaluations are required to reasonably encompass the vast range of loading conditions any spaceflight crew may encounter. In this study the accuracy of publically available mid-size male HIII ATD finite element (FE) models are evaluated within applicable loading conditions against extensive sled testing performed on their physical counterparts. Methods: A series of sled tests were performed at the Wright Patterson Air force Base (WPAFB) employing variations of magnitude, duration, and impact direction to encompass the dynamic loading range for expected spaceflight. FE simulations were developed to the specifications of the test setup and driven using measured acceleration profiles. Both fast and detailed FE models of the mid-size male HIII were ran to quantify differences in their accuracy and thus assess the applicability of each within this field. Results: Preliminary results identify the dependence of model accuracy on loading direction, magnitude, and rate. Additionally the accuracy of individual response metrics are shown to vary across each model within evaluated test conditions. Causes for model inaccuracy are identified based on the observed relationships. Discussion: Computational modeling provides an essential component to ATD injury metric evaluation used to ensure the safety of future spaceflight occupants. The assessment of current ATD models lays the groundwork for how these models can be used appropriately in the future. Identification of limitations and possible paths for improvement aid in the development of these effective analysis tools.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20160009349','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20160009349"><span>Evaluation of Mid-Size Male Hybrid III Models for use in Spaceflight Occupant Protection Analysis</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Putnam, Jacob B.; Sommers, Jeffrey T.; Wells, Jessica A.; Newby, Nathaniel J.; Currie-Gregg, Nancy J.; Lawrence, Chuck</p> <p>2016-01-01</p> <p>In an effort to improve occupant safety during dynamic phases of spaceflight, the National Aeronautics and Space Administration (NASA) has worked to develop occupant protection standards for future crewed spacecraft. One key aspect of these standards is the identification of injury mechanisms through anthropometric test devices (ATDs). Within this analysis, both physical and computational ATD evaluations are required to reasonably encompass the vast range of loading conditions any spaceflight crew may encounter. In this study the accuracy of publically available mid-size male HIII ATD finite element (FE) models are evaluated within applicable loading conditions against extensive sled testing performed on their physical counterparts. Methods: A series of sled tests were performed at the Wright Patterson Air force Base (WPAFB) employing variations of magnitude, duration, and impact direction to encompass the dynamic loading range for expected spaceflight. FE simulations were developed to the specifications of the test setup and driven using measured acceleration profiles. Both fast and detailed FE models of the mid-size male HIII were ran to quantify differences in their accuracy and thus assess the applicability of each within this field. Results: Preliminary results identify the dependence of model accuracy on loading direction, magnitude, and rate. Additionally the accuracy of individual response metrics are shown to vary across each model within evaluated test conditions. Causes for model inaccuracy are identified based on the observed relationships. Discussion: Computational modeling provides an essential component to ATD injury metric evaluation used to ensure the safety of future spaceflight occupants. The assessment of current ATD models lays the groundwork for how these models can be used appropriately in the future. Identification of limitations and possible paths for improvement aid in the development of these effective analysis tools.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JCoPh.346..242L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JCoPh.346..242L"><span>Data-driven reduced order models for effective yield strength and partitioning of strain in multiphase materials</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Latypov, Marat I.; Kalidindi, Surya R.</p> <p>2017-10-01</p> <p>There is a critical need for the development and verification of practically useful multiscale modeling strategies for simulating the mechanical response of multiphase metallic materials with heterogeneous microstructures. In this contribution, we present data-driven reduced order models for effective yield strength and strain partitioning in such microstructures. These models are built employing the recently developed framework of Materials Knowledge Systems that employ 2-point spatial correlations (or 2-point statistics) for the quantification of the heterostructures and principal component analyses for their low-dimensional representation. The models are calibrated to a large collection of finite element (FE) results obtained for a diverse range of microstructures with various sizes, shapes, and volume fractions of the phases. The performance of the models is evaluated by comparing the predictions of yield strength and strain partitioning in two-phase materials with the corresponding predictions from a classical self-consistent model as well as results of full-field FE simulations. The reduced-order models developed in this work show an excellent combination of accuracy and computational efficiency, and therefore present an important advance towards computationally efficient microstructure-sensitive multiscale modeling frameworks.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JPhCS.896a2096S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JPhCS.896a2096S"><span>Setup of a Parameterized FE Model for the Die Roll Prediction in Fine Blanking using Artificial Neural Networks</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Stanke, J.; Trauth, D.; Feuerhack, A.; Klocke, F.</p> <p>2017-09-01</p> <p>Die roll is a morphological feature of fine blanked sheared edges. The die roll reduces the functional part of the sheared edge. To compensate for the die roll thicker sheet metal strips and secondary machining must be used. However, in order to avoid this, the influence of various fine blanking process parameters on the die roll has been experimentally and numerically studied, but there is still a lack of knowledge on the effects of some factors and especially factor interactions on the die roll. Recent changes in the field of artificial intelligence motivate the hybrid use of the finite element method and artificial neural networks to account for these non-considered parameters. Therefore, a set of simulations using a validated finite element model of fine blanking is firstly used to train an artificial neural network. Then the artificial neural network is trained with thousands of experimental trials. Thus, the objective of this contribution is to develop an artificial neural network that reliably predicts the die roll. Therefore, in this contribution, the setup of a fully parameterized 2D FE model is presented that will be used for batch training of an artificial neural network. The FE model enables an automatic variation of the edge radii of blank punch and die plate, the counter and blank holder force, the sheet metal thickness and part diameter, V-ring height and position, cutting velocity as well as material parameters covered by the Hensel-Spittel model for 16MnCr5 (1.7131, AISI/SAE 5115). The FE model is validated using experimental trails. The results of this contribution is a FE model suitable to perform 9.623 simulations and to pass the simulated die roll width and height automatically to an artificial neural network.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24976236','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24976236"><span>In vitro and in vivo corrosion properties of new iron-manganese alloys designed for cardiovascular applications.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Drynda, Andreas; Hassel, Thomas; Bach, Friedrich Wilhelm; Peuster, Matthias</p> <p>2015-04-01</p> <p>The principle of biodegradation for the production of temporary implant materials (e.g. stents) plays an important role in the treatment of congenital heart defects. In the last decade several attempts have been made with different alloy materials-mainly based on iron and magnesium. None of the currently available materials in this field have demonstrated satisfying results and have therefore not found entry into broad clinical practice. While magnesium or magnesium alloy systems corrode too fast, the corrosion rate of pure iron-stents is too slow for cardiovascular applications. In the last years FeMn alloy systems were developed with the idea that galvanic effects, caused by different electrochemical properties of Fe and Mn, would increase the corrosion rate. In vitro tests with alloys containing up to 30% Mn showed promising results in terms of biocompatibility. This study deals with the development of new FeMn alloy systems with lower Mn concentrations (FeMn 0.5 wt %, FeMn 2.7 wt %, FeMn 6.9 wt %) to avoid Mn toxicity. Our results show, that these alloys exhibit good mechanical features as well as suitable in vitro biocompatibility and corrosion properties. In contrast, the evaluation of these alloys in a mouse model led to unexpected results-even after 9 months no significant corrosion was detectable. Preliminary SEM investigations showed that passivation layers (FeMn phosphates) might be the reason for corrosion resistance. If this can be proved in further experiments, strategies to prevent or dissolve those layers need to be developed to expedite the in vivo corrosion of FeMn alloys. © 2014 Wiley Periodicals, Inc.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28961449','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28961449"><span>Rapid and efficient uranium(VI) capture by phytic acid/polyaniline/FeOOH composites.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wei, Xintao; Liu, Qi; Zhang, Hongsen; Liu, Jingyuan; Chen, Rongrong; Li, Rumin; Li, Zhangshuang; Liu, Peili; Wang, Jun</p> <p>2018-02-01</p> <p>Uranium plays an indispensable role in nuclear energy, but there are limited land resources to meet the ever growing demand; therefore, a need exists to develop efficient materials for capturing uranium from water. Herein, we synthesize a promising adsorbent of phytic acid/polyaniline/FeOOH composites (PA/PANI/FeOOH) by oxidative polymerization. Phytic acid, acting asa gelator and dopant, plays an important role in the formation of polyaniline (PANI). The PA/PANI/FeOOH exhibites high adsorption capacity (q m =555.8mgg -1 , T=298K), rapid adsorption rate (within 5min), excellent selectivity and cyclic stability. In addition, the results show that the adsorption isotherm is well fitted to the Langmuir isotherm model, and the adsorption kinetics agree with a pseudo-second order model. XPS analysis indicates that the removal of uranium is mainly attributed to abundant amine and imine groups on the surface of PA/PANI/FeOOH. Importantly, the removal of uranium from low concentrations of simulated seawater is highly efficient with a removal rate exceeding 92%. From our study, superior adsorption capacities, along with a low-cost, environmentally friendly and facile synthesis, reveal PA/PANI/FeOOH asa promising material for uranium capture. Copyright © 2017. Published by Elsevier Inc.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006GeCoA..70.5842B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006GeCoA..70.5842B"><span>Reduction of Fe(III) colloids by Shewanella putrefaciens: A kinetic model</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bonneville, Steeve; Behrends, Thilo; van Cappellen, Philippe; Hyacinthe, Christelle; Röling, Wilfred F. M.</p> <p>2006-12-01</p> <p>A kinetic model for the microbial reduction of Fe(III) oxyhydroxide colloids in the presence of excess electron donor is presented. The model assumes a two-step mechanism: (1) attachment of Fe(III) colloids to the cell surface and (2) reduction of Fe(III) centers at the surface of attached colloids. The validity of the model is tested using Shewanella putrefaciens and nanohematite as model dissimilatory iron reducing bacteria and Fe(III) colloidal particles, respectively. Attachment of nanohematite to the bacteria is formally described by a Langmuir isotherm. Initial iron reduction rates are shown to correlate linearly with the relative coverage of the cell surface by nanohematite particles, hence supporting a direct electron transfer from membrane-bound reductases to mineral particles attached to the cells. Using internally consistent parameter values for the maximum attachment capacity of Fe(III) colloids to the cells, Mmax, the attachment constant, KP, and the first-order Fe(III) reduction rate constant, k, the model reproduces the initial reduction rates of a variety of fine-grained Fe(III) oxyhydroxides by S. putrefaciens. The model explains the observed dependency of the apparent Fe(III) half-saturation constant, Km∗, on the solid to cell ratio, and it predicts that initial iron reduction rates exhibit saturation with respect to both the cell density and the abundance of the Fe(III) oxyhydroxide substrate.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1263647','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1263647"><span>Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.</p> <p></p> <p>Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FEmore » meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1263647-incorporating-physically-based-microstructures-materials-modeling-bridging-phase-field-crystal-plasticity-frameworks','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1263647-incorporating-physically-based-microstructures-materials-modeling-bridging-phase-field-crystal-plasticity-frameworks"><span>Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.; ...</p> <p>2016-04-25</p> <p>Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FEmore » meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5184369','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5184369"><span>A Novel Tumor-Activated Prodrug Strategy Targeting Ferrous Iron Is Effective in Multiple Preclinical Cancer Models</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p></p> <p>2016-01-01</p> <p>Here we describe a new approach for tumor targeting in which augmented concentrations of Fe(II) in cancer cells and/or the tumor microenvironment triggers drug release from an Fe(II)-reactive prodrug conjugate. The 1,2,4-trioxolane scaffold developed to enable this approach can in principle be applied to a broad range of cancer therapeutics and is illustrated here with Fe(II)-targeted forms of a microtubule toxin and a duocarmycin-class DNA-alkylating agent. We show that the intrinsic reactivity/toxicity of the duocarmycin analog is masked in the conjugated form and this greatly reduced toxicity in mice. This in turn permitted elevated dosing levels, leading to higher systemic exposure and a significantly improved response in tumor xenograft models. Overall our results suggest that Fe(II)-dependent drug delivery via trioxolane conjugates could have significant utility in expanding the therapeutic index of a range of clinical and preclinical stage cancer chemotherapeutics. PMID:27936709</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1357978-effect-nickel-point-defects-diffusion-fe-ni-alloys','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1357978-effect-nickel-point-defects-diffusion-fe-ni-alloys"><span>Effect of nickel on point defects diffusion in Fe – Ni alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Anento, Napoleon; Serra, Anna; Osetsky, Yury N.</p> <p>2017-05-05</p> <p>Iron-Nickel alloys are perspective alloys as nuclear energy structural materials because of their good radiation damage tolerance and mechanical properties. Understanding of experimentally observed features such as the effect of Ni content to radiation defects evolution is essential for developing predictive models of radiation. Recently an atomic-scale modelling study has revealed one particular mechanism of Ni effect related to the reduced mobility of clusters of interstitial atoms in Fe-Ni alloys. In this paper we present results of the microsecond-scale molecular dynamics study of point defects, i.e. vacancies and self-interstitial atoms, diffusion in Fe-Ni alloys. It is found that the additionmore » of Ni atoms affects diffusion processes: diffusion of vacancies is enhanced in the presence of Ni, whereas diffusion of interstitials is reduced and these effects increase at high Ni concentration and low temperature. As a result, the role of Ni solutes in radiation damage evolution in Fe-Ni alloys is discussed.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007JSV...301..994C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007JSV...301..994C"><span>Torsional vibration of a cracked rod by variational formulation and numerical analysis</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chondros, T. G.; Labeas, G. N.</p> <p>2007-04-01</p> <p>The torsional vibration of a circumferentially cracked cylindrical shaft is studied through an "exact" analytical solution and a numerical finite element (FE) analysis. The Hu-Washizu-Barr variational formulation is used to develop the differential equation and the boundary conditions of the cracked rod. The equations of motion for a uniform cracked rod in torsional vibration are derived and solved, and the Rayleigh quotient is used to further approximate the natural frequencies of the cracked rod. Results for the problem of the torsional vibration of a cylindrical shaft with a peripheral crack are provided through an analytical solution based on variational formulation to derive the equation of motion and a numerical analysis utilizing a parametric three-dimensional (3D) solid FE model of the cracked rod. The crack is modelled as a continuous flexibility based on fracture mechanics principles. The variational formulation results are compared with the FE alternative. The sensitivity of the FE discretization with respect to the analytical results is assessed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/9312992','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/9312992"><span>Finite-element modeling of the human neurocranium under functional anatomical aspects.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Mall, G; Hubig, M; Koebke, J; Steinbuch, R</p> <p>1997-08-01</p> <p>Due to its functional significance the human skull plays an important role in biomechanical research. The present work describes a new Finite-Element model of the human neurocranium. The dry skull of a middle-aged woman served as a pattern. The model was developed using only the preprocessor (Mentat) of a commercial FE-system (Marc). Unlike that of other FE models of the human skull mentioned in the literature, the geometry in this model was designed according to functional anatomical findings. Functionally important morphological structures representing loci minoris resistentiae, especially the foramina and fissures of the skull base, were included in the model. The results of two linear static loadcase analyses in the region of the skull base underline the importance of modeling from the functional anatomical point of view.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2001APS..DPPGP1128Q','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2001APS..DPPGP1128Q"><span>Demonstration and Analysis of Materials Processing by Ablation Plasma Ion Implantation (APII)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Qi, B.; Gilgenbach, R. M.; Lau, Y. Y.; Jones, M. C.; Lian, J.; Wang, L. M.; Doll, G. L.; Lazarides, A.</p> <p>2001-10-01</p> <p>Experiments have demonstrated laser-ablated Fe ion implantation into Si substrates. Baseline laser deposited films (0 kV) showed an amorphous Fe-Si film overlying the Si substrate with a top layer of nanocrystalline Fe. APII films exhibited an additional Fe ion-induced damage layer, extending 7.6 nm below the Si surface. The overlying Fe-Si layer and Fe top layer were amorphized by fast ions. Results were confirmed by XPS vs Ar ion etching time for depth profile of the deposited films. XPS showed primarily Fe (top layer), transitioning to roughly equal Fe/Si , then mostly Si with lower Fe (implanted region). These data clearly prove Fe ion implantation into Si, verifying the feasibility of APII as an ion acceleration and implantation process [1]. SRIM simulations predict about 20 percent deeper Fe ion penetration than data, due to:(a) Subsequent ions must pass through the Fe film deposited by earlier ions, and (b) the bias voltage has a slow rise and fall time. Theoretical research has developed the scaling laws for APII [2]. Recently, a model has successfully explained the shortening of the decay time in the high voltage pulse with the laser ablation plasma. This reduces the theoretical RC time constant, which agrees with the experimental data. * Research supported by National Science Foundation Grant CTS-9907106 [1] Appl. Phys. Lett. 78, 3785 (2001) [2] Appl. Phys. Lett. 78, 706 (2001)),</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24147262','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24147262"><span>Experimental and finite element analysis of tibial stress fractures using a rabbit model.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Franklyn, Melanie; Field, Bruce</p> <p>2013-01-01</p> <p>To determine if rabbit models can be used to quantify the mechanical behaviour involved in tibial stress fracture (TSF) development. Fresh rabbit tibiae were loaded under compression using a specifically-designed test apparatus. Weights were incrementally added up to a load of 30 kg and the mechanical behaviour of the tibia was analysed using tests for buckling, bone strain and hysteresis. Structural mechanics equations were subsequently employed to verify that the results were within the range of values predicted by theory. A finite element (FE) model was developed using cross-sectional computer tomography (CT) images scanned from one of the rabbit bones, and a static load of 6 kg (1.5 times the rabbit's body weight) was applied to represent running. The model was validated using the experimental strain gauge data, then geometric and elemental convergence tests were performed in order to find the minimum number of cross-sectional scans and elements respectively required for convergence. The analysis was then performed using both the model and the experimental results to investigate the mechanical behaviour of the rabbit tibia under compressive load and to examine crack initiation. The experimental tests showed that under a compressive load of up to 12 kg, the rabbit tibia demonstrates linear behaviour with little hysteresis. Up to 30 kg, the bone does not fail by elastic buckling; however, there are low levels of tensile stress which predominately occur at and adjacent to the anterior border of the tibial midshaft: this suggests that fatigue failure occurs in these regions, since bone under cyclic loading initially fails in tension. The FE model predictions were consistent with both mechanics theory and the strain gauge results. The model was highly sensitive to small changes in the position of the applied load due to the high slenderness ratio of the rabbit's tibia. The modelling technique used in the current study could have applications in the development of human FE models of bone, where, unlike rabbit tibia, the model would be relatively insensitive to very small changes in load position. However, the rabbit model itself is less beneficial as a tool to understand the mechanical behaviour of TSFs in humans due to the small size of the rabbit bone and the limitations of human-scale CT scanning equipment. The current modelling technique could be used to develop human FE models. However, the rabbit model itself has significant limitations in understanding human TSF mechanics.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1990JMMM...89..139P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1990JMMM...89..139P"><span>Coercivity of die upset NdFeB magnets: A strong pinning model</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pinkerton, F. E.; Fuerst, C. D.</p> <p>1990-09-01</p> <p>We show that the temperature dependence of the intrinsic coercivity Hci( T) between 5 and 600 K in a die-upset NdFeB magnet is in good agreement with a model for strong domain wall pinning by a random array of pinning sites proposed by Gaunt [P. Gaunt, Phil. Mag. B48 (1983) 261]. The model includes both the temperature dependence of the intrinsic magnetic properties of the Nd 2Fe 14B phase and the effects of thermal activation of domain walls over the pinning barrier. The pinning sites are modeled as nonmagnetic planar inhomogeneities at the boundaries aetween platelet-shaped Nd 2Fe 14B grains. We develop an expression for the maximum pinning force per site, f, and derive the model prediction that (H ci/γH A) {1}/{2} varies linearly with (T/γ) {2}/{3}, where HA and γ are the magnetocrystalline anisotropy and the domain wall energy per unit area of the Nd 2Fe 14B phase, respectively. The model is in good agreement with the observed Hci values over a broad temperature range from 200 to 477 K. Deviations from the model below 200 K are an artifact of the axial-to-conical spin reorientation in Nd 2Fe 14B at low temperature. Deviations at high temperature most likely occur because the strong pinning model is no longer valid close to the Curie temperature (585 K).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010JPS...195.2393G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010JPS...195.2393G"><span>Three-dimensional thermal finite element modeling of lithium-ion battery in thermal abuse application</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Guo, Guifang; Long, Bo; Cheng, Bo; Zhou, Shiqiong; Xu, Peng; Cao, Binggang</p> <p></p> <p>In order to better understand the thermal abuse behavior of high capacities and large power lithium-ion batteries for electric vehicle application, a three-dimensional thermal model has been developed for analyzing the temperature distribution under abuse conditions. The model takes into account the effects of heat generation, internal conduction and convection, and external heat dissipation to predict the temperature distribution in a battery. Three-dimensional model also considers the geometrical features to simulate oven test, which are significant in larger cells for electric vehicle application. The model predictions are compared to oven test results for VLP 50/62/100S-Fe (3.2 V/55 Ah) LiFePO 4/graphite cells and shown to be in great agreement.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014EGUGA..16.8310M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014EGUGA..16.8310M"><span>The anthropogenic influence on Iron deposition over the oceans: a 3-D global modeling</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Myriokefalitakis, Stelios; Mihalopoulos, Nikos; Baker, Alex; Kanakidou, Maria</p> <p>2014-05-01</p> <p>Iron (Fe) deposition over oceans is directly linked to the marine biological productivity and consequently to atmospheric CO2 concentrations. Experimental and modeling results support that both inorganic (sulphate, ammonium and nitrate) and organic (e.g. oxalate) ligands can increase the Fe mobilization. Mineral dust deposition is considered as the most important supply of bioavailable Fe in the oceans. Although, due to the low soil soluble iron fractions, atmospheric processes which are also related to anthropogenic emissions, can convert iron to more soluble forms in the atmosphere. Recent studies also support that anthropogenic emissions of Fe from combustion sources also significantly contribute to the dissolved Fe atmospheric pool. The evaluation of the impact of humans on atmospheric soluble or bioavailable Fe deposition remains challenging, since Fe mobilization due to changes in anthropogenic emissions is largely uncertain. In the present study, the global atmospheric Fe cycle is parameterized in the 3-D chemical transport global model TM4-ECPL and the model is used to calculate the Fe deposition over the oceans. The model considers explicitly organic, sulfur and nitrogen gas-phase chemistry, aqueous-phase organic chemistry, including oxalate and all major aerosol constituents. TM4-ECPL simulates the organic and inorganic ligand-promoted mineral Fe dissolution and also aqueous-phase photochemical reactions between different forms of Fe (III/II). Primary emissions of Fe associated with dust and soluble Fe from combustion processes as well as atmospheric processing of the emitted Fe is taken into account in the model Sensitivity simulations are performed to study the impact of anthropogenic emissions on Fe deposition. For this preindustrial, present and future emission scenarios are used in the model in order to examine the response of chemical composition of iron-containing aerosols to environmental changes. The release of soluble iron associated with mineral dust and with the emissions of combustion aerosols is investigated. Model results are compared with available observations to evaluate their robustness. This work is supported by the ESF-NSRF ARISTEIA grant PANOPLY (Pollution Alters Natural Aerosol Composition: implications for Ocean Productivity, cLimate and air qualitY).</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li class="active"><span>12</span></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_12 --> <div id="page_13" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li class="active"><span>13</span></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="241"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5787350','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5787350"><span>Tissue material properties and computational modelling of the human tibiofemoral joint: a critical review</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Akhtar, Riaz; Comerford, Eithne J.; Bates, Karl T.</p> <p>2018-01-01</p> <p>Understanding how structural and functional alterations of individual tissues impact on whole-joint function is challenging, particularly in humans where direct invasive experimentation is difficult. Finite element (FE) computational models produce quantitative predictions of the mechanical and physiological behaviour of multiple tissues simultaneously, thereby providing a means to study changes that occur through healthy ageing and disease such as osteoarthritis (OA). As a result, significant research investment has been placed in developing such models of the human knee. Previous work has highlighted that model predictions are highly sensitive to the various inputs used to build them, particularly the mathematical definition of material properties of biological tissues. The goal of this systematic review is two-fold. First, we provide a comprehensive summation and evaluation of existing linear elastic material property data for human tibiofemoral joint tissues, tabulating numerical values as a reference resource for future studies. Second, we review efforts to model tibiofemoral joint mechanical behaviour through FE modelling with particular focus on how studies have sourced tissue material properties. The last decade has seen a renaissance in material testing fuelled by development of a variety of new engineering techniques that allow the mechanical behaviour of both soft and hard tissues to be characterised at a spectrum of scales from nano- to bulk tissue level. As a result, there now exists an extremely broad range of published values for human tibiofemoral joint tissues. However, our systematic review highlights gaps and ambiguities that mean quantitative understanding of how tissue material properties alter with age and OA is limited. It is therefore currently challenging to construct FE models of the knee that are truly representative of a specific age or disease-state. Consequently, recent tibiofemoral joint FE models have been highly generic in terms of material properties even relying on non-human data from multiple species. We highlight this by critically evaluating current ability to quantitatively compare and model (1) young and old and (2) healthy and OA human tibiofemoral joints. We suggest that future research into both healthy and diseased knee function will benefit greatly from a subject- or cohort-specific approach in which FE models are constructed using material properties, medical imagery and loading data from cohorts with consistent demographics and/or disease states. PMID:29379690</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29379690','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29379690"><span>Tissue material properties and computational modelling of the human tibiofemoral joint: a critical review.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Peters, Abby E; Akhtar, Riaz; Comerford, Eithne J; Bates, Karl T</p> <p>2018-01-01</p> <p>Understanding how structural and functional alterations of individual tissues impact on whole-joint function is challenging, particularly in humans where direct invasive experimentation is difficult. Finite element (FE) computational models produce quantitative predictions of the mechanical and physiological behaviour of multiple tissues simultaneously, thereby providing a means to study changes that occur through healthy ageing and disease such as osteoarthritis (OA). As a result, significant research investment has been placed in developing such models of the human knee. Previous work has highlighted that model predictions are highly sensitive to the various inputs used to build them, particularly the mathematical definition of material properties of biological tissues. The goal of this systematic review is two-fold. First, we provide a comprehensive summation and evaluation of existing linear elastic material property data for human tibiofemoral joint tissues, tabulating numerical values as a reference resource for future studies. Second, we review efforts to model tibiofemoral joint mechanical behaviour through FE modelling with particular focus on how studies have sourced tissue material properties. The last decade has seen a renaissance in material testing fuelled by development of a variety of new engineering techniques that allow the mechanical behaviour of both soft and hard tissues to be characterised at a spectrum of scales from nano- to bulk tissue level. As a result, there now exists an extremely broad range of published values for human tibiofemoral joint tissues. However, our systematic review highlights gaps and ambiguities that mean quantitative understanding of how tissue material properties alter with age and OA is limited. It is therefore currently challenging to construct FE models of the knee that are truly representative of a specific age or disease-state. Consequently, recent tibiofemoral joint FE models have been highly generic in terms of material properties even relying on non-human data from multiple species. We highlight this by critically evaluating current ability to quantitatively compare and model (1) young and old and (2) healthy and OA human tibiofemoral joints. We suggest that future research into both healthy and diseased knee function will benefit greatly from a subject- or cohort-specific approach in which FE models are constructed using material properties, medical imagery and loading data from cohorts with consistent demographics and/or disease states.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1352774-thermodynamic-kinetic-modeling-grain-boundary-equilibrium-segregation-fe','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1352774-thermodynamic-kinetic-modeling-grain-boundary-equilibrium-segregation-fe"><span>Thermodynamic and kinetic modeling of grain boundary equilibrium segregation of P in α-Fe</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Yang, Y.; Chen, S. -L.</p> <p>2017-04-18</p> <p>Phosphorus is a primary contributor to interface fracture and embrittlement in steels because of its strong segregation tendency at grain boundaries (GBs). The lack of consistency in literature data imposes great difficulties in performing segregation modeling that is compatible with both the Langmuir-Mclean segregation theory and the thermodynamic description of the Bcc(Fe,P) phase. Our work carefully evaluated experimental data for phosphorus segregation at GBs in -Fe and provided a new formula for converting the auger electron spectroscopy (AES) peak height ratio to GBs. Furthermore, based on newly assessed literature data, this work proposes that the major driving force for phosphorusmore » segregation is the formation of Fe 3P-type clusters at GBs, which is supported not only by the almost equivalent Gibbs energy of _Fe using the Bcc(Fe,P) substitutional model and the Bcc(Fe,Fe 3P, P) associate model, but also by the good agreement between thermodynamic/kinetic modeling results and experimental data.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=1810576','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=1810576"><span>The transition metal gallium disrupts Pseudomonas aeruginosa iron metabolism and has antimicrobial and antibiofilm activity</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Kaneko, Yukihiro; Thoendel, Matthew; Olakanmi, Oyebode; Britigan, Bradley E.; Singh, Pradeep K.</p> <p>2007-01-01</p> <p>A novel antiinfective approach is to exploit stresses already imposed on invading organisms by the in vivo environment. Fe metabolism is a key vulnerability of infecting bacteria because organisms require Fe for growth, and it is critical in the pathogenesis of infections. Furthermore, humans have evolved potent Fe-withholding mechanisms that can block acute infection, prevent biofilm formation leading to chronic infection, and starve bacteria that succeed in infecting the host. Here we investigate a “Trojan horse” strategy that uses the transition metal gallium to disrupt bacterial Fe metabolism and exploit the Fe stress of in vivo environments. Due to its chemical similarity to Fe, Ga can substitute for Fe in many biologic systems and inhibit Fe-dependent processes. We found that Ga inhibits Pseudomonas aeruginosa growth and biofilm formation and kills planktonic and biofilm bacteria in vitro. Ga works in part by decreasing bacterial Fe uptake and by interfering with Fe signaling by the transcriptional regulator pvdS. We also show that Ga is effective in 2 murine lung infection models. These data, along with the fact that Ga is FDA approved (for i.v. administration) and there is the dearth of new antibiotics in development, make Ga a potentially promising new therapeutic for P. aeruginosa infections. PMID:17364024</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19970001474','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19970001474"><span>Robust Hybrid Finite Element Methods for Antennas and Microwave Circuits</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Gong, J.; Volakis, John L.</p> <p>1996-01-01</p> <p>One of the primary goals in this dissertation is concerned with the development of robust hybrid finite element-boundary integral (FE-BI) techniques for modeling and design of conformal antennas of arbitrary shape. Both the finite element and integral equation methods will be first overviewed in this chapter with an emphasis on recently developed hybrid FE-BI methodologies for antennas, microwave and millimeter wave applications. The structure of the dissertation is then outlined. We conclude the chapter with discussions of certain fundamental concepts and methods in electromagnetics, which are important to this study.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010APS..MARP39005N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010APS..MARP39005N"><span>Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe, and FeTe</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Nakamura, Kazuma; Miyake, Takashi; Arita, Ryotaro; Imada, Masatoshi</p> <p>2010-03-01</p> <p>We present effective low-energy models for LaFePO and LaFeAsO (1111 family), BaFe2As2 (122), LiFeAs (111), and FeSe and FeTe (11) [1], based on ab initio downfolding scheme, a constrained random-phase-approximation method combined with maximally localized Wannier functions. Comparison among the effective models, derived for 5 Fe-3d bands, provides a basis for interpreting physics/chemistry; material dependences of electron correlations, a multiband character entangled by the 3d orbitals, and the geometrical frustration depending on hybridizations between iron and pnictogen/chalcogen orbitals. We found that LaFePO in the 1111 family resides in the weak correlation regime, while LaFeAsO and 111/122 compounds are the intermediate region and FeSe and FeTe in the 11 family are located in the strong correlation regime. A principal parameter relevant to the physics is clarified to be the pnictogen/chalcogen height from the iron layer. Implications in low-energy properties including magnetism and superconductivity are discussed. [1] T. Miyake, K. Nakamura, R. Arita, and M. Imada, arXiv:0911.3705.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016MMTA...47.2964L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016MMTA...47.2964L"><span>Solidification Microstructure, Segregation, and Shrinkage of Fe-Mn-C Twinning-Induced Plasticity Steel by Simulation and Experiment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lan, Peng; Tang, Haiyan; Zhang, Jiaquan</p> <p>2016-06-01</p> <p>A 3D cellular automaton finite element model with full coupling of heat, flow, and solute transfer incorporating solidification grain nucleation and growth was developed for a multicomponent system. The predicted solidification process, shrinkage porosity, macrosegregation, grain orientation, and microstructure evolution of Fe-22Mn-0.7C twinning-induced plasticity (TWIP) steel match well with the experimental observation and measurement. Based on a new solute microsegregation model using the finite difference method, the thermophysical parameters including solid fraction, thermal conductivity, density, and enthalpy were predicted and compared with the results from thermodynamics and experiment. The effects of flow and solute transfer in the liquid phase on the solidification microstructure of Fe-22Mn-0.7C TWIP steel were compared numerically. Thermal convection decreases the temperature gradient in the liquid steel, leading to the enlargement of the equiaxed zone. Solute enrichment in front of the solid/liquid interface weakens the thermal convection, resulting in a little postponement of columnar-to-equiaxed transition (CET). The CET behavior of Fe-Mn-C TWIP steel during solidification was fully described and mathematically quantized by grain morphology statistics for the first time. A new methodology to figure out the CET location by linear regression of grain mean size with least-squares arithmetic was established, by which a composition design strategy for Fe-Mn-C TWIP steel according to solidification microstructure, matrix compactness, and homogeneity was developed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26867124','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26867124"><span>Finite element modeling of human brain response to football helmet impacts.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Darling, T; Muthuswamy, J; Rajan, S D</p> <p>2016-10-01</p> <p>The football helmet is used to help mitigate the occurrence of impact-related traumatic (TBI) and minor traumatic brain injuries (mTBI) in the game of American football. While the current helmet design methodology may be adequate for reducing linear acceleration of the head and minimizing TBI, it however has had less effect in minimizing mTBI. The objectives of this study are (a) to develop and validate a coupled finite element (FE) model of a football helmet and the human body, and (b) to assess responses of different regions of the brain to two different impact conditions - frontal oblique and crown impact conditions. The FE helmet model was validated using experimental results of drop tests. Subsequently, the integrated helmet-human body FE model was used to assess the responses of different regions of the brain to impact loads. Strain-rate, strain, and stress measures in the corpus callosum, midbrain, and brain stem were assessed. Results show that maximum strain-rates of 27 and 19 s(-1) are observed in the brain-stem and mid-brain, respectively. This could potentially lead to axonal injuries and neuronal cell death during crown impact conditions. The developed experimental-numerical framework can be used in the study of other helmet-related impact conditions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28653837','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28653837"><span>Quantifying Reactive Transport Processes Governing Arsenic Mobility after Injection of Reactive Organic Carbon into a Bengal Delta Aquifer.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Rawson, Joey; Siade, Adam; Sun, Jing; Neidhardt, Harald; Berg, Michael; Prommer, Henning</p> <p>2017-08-01</p> <p>Over the last few decades, significant progress has been made to characterize the extent, severity, and underlying geochemical processes of groundwater arsenic (As) pollution in S/SE Asia. However, comparably little effort has been made to merge the findings into frameworks that allow for a process-based quantitative analysis of observed As behavior and for predictions of its long-term fate. This study developed field-scale numerical modeling approaches to represent the hydrochemical processes associated with an in situ field injection of reactive organic carbon, including the reductive dissolution and transformation of ferric iron (Fe) oxides and the concomitant release of sorbed As. We employed data from a sucrose injection experiment in the Bengal Delta Plain to guide our model development and to constrain the model parametrization. Our modeling results illustrate that the temporary pH decrease associated with the sucrose transformation and mineralization caused pronounced, temporary shifts in the As partitioning between aqueous and sorbed phases. The results also suggest that while the reductive dissolution of Fe(III) oxides reduced the number of sorption sites, a significant fraction of the released As was rapidly scavenged through coprecipitation with neo-formed magnetite. These secondary reactions can explain the disparity between the observed Fe and As behavior.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017IJASE...9...79A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017IJASE...9...79A"><span>Prediction of moment-rotation characteristic of top- and seat-angle bolted connection incorporating prying action</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ahmed, Ali</p> <p>2017-03-01</p> <p>Finite element (FE) analyses were performed to explore the prying influence on moment-rotation behaviour and to locate yielding zones of top- and seat-angle connections in author's past research studies. The results of those FE analyses with experimental failure strategies of the connections were used to develop failure mechanisms of top- and seat-angle connections in the present study. Then a formulation was developed based on three simple failure mechanisms considering bending and shear deformations, effects of prying action on the top angle and stiffness of the tension bolts to estimate rationally the ultimate moment M u of the connection, which is a vital parameter of the proposed four-parameter power model. Applicability of the proposed formulation is assessed by comparing moment-rotation ( M- θ r ) curves and ultimate moment capacities with those measured by experiments and estimated by FE analyses and three-parameter power model. This study shows that proposed formulation and Kishi-Chen's method both achieved close approximation driving M- θ r curves of all given connections except a few cases of Kishi-Chen model, and M u estimated by the proposed formulation is more rational than that predicted by Kishi-Chen's method.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19646700','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19646700"><span>Use of a statistical model of the whole femur in a large scale, multi-model study of femoral neck fracture risk.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Bryan, Rebecca; Nair, Prasanth B; Taylor, Mark</p> <p>2009-09-18</p> <p>Interpatient variability is often overlooked in orthopaedic computational studies due to the substantial challenges involved in sourcing and generating large numbers of bone models. A statistical model of the whole femur incorporating both geometric and material property variation was developed as a potential solution to this problem. The statistical model was constructed using principal component analysis, applied to 21 individual computer tomography scans. To test the ability of the statistical model to generate realistic, unique, finite element (FE) femur models it was used as a source of 1000 femurs to drive a study on femoral neck fracture risk. The study simulated the impact of an oblique fall to the side, a scenario known to account for a large proportion of hip fractures in the elderly and have a lower fracture load than alternative loading approaches. FE model generation, application of subject specific loading and boundary conditions, FE processing and post processing of the solutions were completed automatically. The generated models were within the bounds of the training data used to create the statistical model with a high mesh quality, able to be used directly by the FE solver without remeshing. The results indicated that 28 of the 1000 femurs were at highest risk of fracture. Closer analysis revealed the percentage of cortical bone in the proximal femur to be a crucial differentiator between the failed and non-failed groups. The likely fracture location was indicated to be intertrochantic. Comparison to previous computational, clinical and experimental work revealed support for these findings.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4646712','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4646712"><span>Protonation and Proton-Coupled Electron Transfer at S-Ligated [4Fe-4S] Clusters</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Morris, Wesley D.; Darcy, Julia W.; Mayer, James M.</p> <p>2015-01-01</p> <p>Biological [Fe-S] clusters are increasingly recognized to undergo proton-coupled electron transfer (PCET), but the site of protonation, mechanism, and role for PCET remains largely unknown. Here we explore this reactivity with synthetic model clusters. Protonation of the arylthiolate-ligated [4Fe-4S] cluster [Fe4S4(SAr)4]2- (1, SAr = S-2,4-6-(iPr)3C6H2) leads to thiol dissociation, reversibly forming [Fe4S4(SAr)3L]1- (2) + ArSH (L = solvent, and/or conjugate base). Solutions of 2 + ArSH react with the nitroxyl radical TEMPO to give [Fe4S4(SAr)4]1- (1ox) and TEMPOH. This reaction involves PCET coupled to thiolate association and may proceed via the unobserved protonated cluster [Fe4S4(SAr)3(HSAr)]1-(1-H). Similar reactions with this and related clusters proceed comparably. An understanding of the PCET thermochemistry of this cluster system has been developed, encompassing three different redox levels and two protonation states. PMID:25965413</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25385691','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25385691"><span>Evidences of in vivo bioactivity of Fe-bioceramic composites for temporary bone implants.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ulum, Mokhamad F; Nasution, Ahmad K; Yusop, Abdul H; Arafat, Andril; Kadir, Mohammed Rafiq A; Juniantito, Vetnizah; Noviana, Deni; Hermawan, Hendra</p> <p>2015-10-01</p> <p>Iron-bioceramic composites have been developed as biodegradable implant materials with tailored degradation behavior and bioactive features. In the current work, in vivo bioactivity of the composites was comprehensively studied by using sheep animal model. Five groups of specimens (Fe-HA, Fe-TCP, Fe-BCP composites, and pure-Fe and SS316L as controls) were surgically implanted into medio proximal region of the radial bones. Real-time ultrasound analysis showed a decreased echo pattern at the peri-implant biodegradation site of the composites indicating minimal tissue response during the wound healing process. Peripheral whole blood biomarkers monitoring showed a normal dynamic change of blood cellular responses and no stress effect was observed. Meanwhile, the released Fe ion concentration was increasing along the implantation period. Histological analysis showed that the composites corresponded with a lower inflammatory giant cell count than that of SS316L. Analysis of the retrieved implants showed a thicker degradation layer on the composites compared with pure-Fe. It can be concluded that the iron-bioceramic composites are bioactive and induce a preferable wound healing process. © 2014 Wiley Periodicals, Inc.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018CompM..61..471S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018CompM..61..471S"><span>A time-domain finite element boundary integral approach for elastic wave scattering</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Shi, F.; Lowe, M. J. S.; Skelton, E. A.; Craster, R. V.</p> <p>2018-04-01</p> <p>The response of complex scatterers, such as rough or branched cracks, to incident elastic waves is required in many areas of industrial importance such as those in non-destructive evaluation and related fields; we develop an approach to generate accurate and rapid simulations. To achieve this we develop, in the time domain, an implementation to efficiently couple the finite element (FE) method within a small local region, and the boundary integral (BI) globally. The FE explicit scheme is run in a local box to compute the surface displacement of the scatterer, by giving forcing signals to excitation nodes, which can lie on the scatterer itself. The required input forces on the excitation nodes are obtained with a reformulated FE equation, according to the incident displacement field. The surface displacements computed by the local FE are then projected, through time-domain BI formulae, to calculate the scattering signals with different modes. This new method yields huge improvements in the efficiency of FE simulations for scattering from complex scatterers. We present results using different shapes and boundary conditions, all simulated using this approach in both 2D and 3D, and then compare with full FE models and theoretical solutions to demonstrate the efficiency and accuracy of this numerical approach.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017APS..MARY25004S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017APS..MARY25004S"><span>Effect of iron content on the catalytic activity of Fe-MnOx electrodeposited films in water oxidation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Selinger, Elizabeth; Ryczko, Kevin; Lopinski, Gregory; Armandi, Marco; Bonelli, Barbara; Tamblyn, Isaac</p> <p></p> <p>We report on the experimental and computational optimization and characterization of an MnOx structure containing a small amount of Fe, used as a catalyst for the water oxidation reaction (WOR), the key limiting reaction in water splitting. MnOx materials are earth-abundant and known to be efficient for WOR, and the method of cathodically electrodepositing catalysts allows for quick synthesis and a homogeneous coverage of the substrate. We present an increase in WOR activity due to the presence of Fe in this MnOx catalyst structure. First, we explored the optimal range for Fe(NO3)3 concentration in an KMnO4 solution for electrodeposition and tested for WOR activity. The catalyst structure was then analyzed using FESEM, XPS, and a Kelvin probe. We then developed a computational model of this structure, using density functional theory to obtain adsorption energies, work functions, projected density of states, and Born-Oppenheimer molecular dynamics. In this theoretical framework, we explore how these observables change with respect to concentration of Fe, and compare the theoretical model with experiment. special acknowledgement to the Italian Cultural Centre of Durham scholarship program.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/20697814','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/20697814"><span>Polymersomes containing iron sulfide (FeS) as primordial cell model : for the investigation of energy providing redox reactions.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Alpermann, Theodor; Rüdel, Kristin; Rüger, Ronny; Steiniger, Frank; Nietzsche, Sandor; Filiz, Volkan; Förster, Stephan; Fahr, Alfred; Weigand, Wolfgang</p> <p>2011-04-01</p> <p>According to Wächtershäuser's "Iron-Sulfur-World" one major requirement for the development of life on the prebiotic Earth is compartmentalization. Vesicles spontaneously formed from amphiphilic components containing a specific set of molecules including sulfide minerals may have lead to the first autotrophic prebiotic units. The iron sulfide minerals may have been formed by geological conversions in the environment of deep-sea volcanos (black smokers), which can be observed even today. Wächtershäuser postulated the evolution of chemical pathways as fundamentals of the origin of life on earth. In contrast to the classical Miller-Urey experiment, depending on external energy sources, the "Iron-Sulfur-World" is based on the catalytic and energy reproducing redox system FeS+H2S-->FeS2+H2. The energy release out of this redox reaction (∆RG°=-38 kJ/mol, pH 0) could be the cause for the subsequent synthesis of complex organic molecules and the precondition for the development of more complex units similar to cells known today. Here we show the possibility for precipitating iron sulfide inside vesicles composed of amphiphilic block-copolymers as a model system for a first prebiotic unit. Our findings could be an indication for a chemoautotrophic FeS based origin of life.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/974684','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/974684"><span>Calibration under uncertainty for finite element models of masonry monuments</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Atamturktur, Sezer,; Hemez, Francois,; Unal, Cetin</p> <p>2010-02-01</p> <p>Historical unreinforced masonry buildings often include features such as load bearing unreinforced masonry vaults and their supporting framework of piers, fill, buttresses, and walls. The masonry vaults of such buildings are among the most vulnerable structural components and certainly among the most challenging to analyze. The versatility of finite element (FE) analyses in incorporating various constitutive laws, as well as practically all geometric configurations, has resulted in the widespread use of the FE method for the analysis of complex unreinforced masonry structures over the last three decades. However, an FE model is only as accurate as its input parameters, andmore » there are two fundamental challenges while defining FE model input parameters: (1) material properties and (2) support conditions. The difficulties in defining these two aspects of the FE model arise from the lack of knowledge in the common engineering understanding of masonry behavior. As a result, engineers are unable to define these FE model input parameters with certainty, and, inevitably, uncertainties are introduced to the FE model.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25775531','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25775531"><span>Toward a mineral physics reference model for the Moon's core.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Antonangeli, Daniele; Morard, Guillaume; Schmerr, Nicholas C; Komabayashi, Tetsuya; Krisch, Michael; Fiquet, Guillaume; Fei, Yingwei</p> <p>2015-03-31</p> <p>The physical properties of iron (Fe) at high pressure and high temperature are crucial for understanding the chemical composition, evolution, and dynamics of planetary interiors. Indeed, the inner structures of the telluric planets all share a similar layered nature: a central metallic core composed mostly of iron, surrounded by a silicate mantle, and a thin, chemically differentiated crust. To date, most studies of iron have focused on the hexagonal closed packed (hcp, or ε) phase, as ε-Fe is likely stable across the pressure and temperature conditions of Earth's core. However, at the more moderate pressures characteristic of the cores of smaller planetary bodies, such as the Moon, Mercury, or Mars, iron takes on a face-centered cubic (fcc, or γ) structure. Here we present compressional and shear wave sound velocity and density measurements of γ-Fe at high pressures and high temperatures, which are needed to develop accurate seismic models of planetary interiors. Our results indicate that the seismic velocities proposed for the Moon's inner core by a recent reanalysis of Apollo seismic data are well below those of γ-Fe. Our dataset thus provides strong constraints to seismic models of the lunar core and cores of small telluric planets. This allows us to propose a direct compositional and velocity model for the Moon's core.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4824375','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4824375"><span>Theranostic multimodular potential of zinc-doped ferrite-saturated metal-binding protein-loaded novel nanocapsules in cancers</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Kamalapuram, Sishir K; Kanwar, Rupinder K; Roy, Kislay; Chaudhary, Rajneesh; Sehgal, Rakesh; Kanwar, Jagat R</p> <p>2016-01-01</p> <p>The present study successfully developed orally deliverable multimodular zinc (Zn) iron oxide (Fe3O4)-saturated bovine lactoferrin (bLf)-loaded polymeric nanocapsules (NCs), and evaluated their theranostic potential (antitumor efficacy, magnetophotothermal efficacy and imaging capability) in an in vivo human xenograft CpG-island methylator phenotype (CIMP)-1+/CIMP2−/chromosome instability-positive colonic adenocarcinoma (Caco2) and claudin-low, triple-negative (ER−/PR−/HER2−; MDA-MB-231) breast cancer model. Mice fed orally on the Zn-Fe-bLf NC diet showed downregulation in tumor volume and complete regression in tumor volume after 45 days of feeding. In human xenograft colon cancer, vehicle-control NC diet-group (n=5) mice showed a tumor volume of 52.28±11.55 mm3, and Zn-Fe-bLf NC diet (n=5)-treated mice had a tumor-volume of 0.10±0.073 mm3. In the human xenograft breast cancer model, Zn-Fe-bLf NC diet (n=5)-treated mice showed a tumor volume of 0.051±0.062 mm3 within 40 days of feeding. Live mouse imaging conducted by near-infrared fluorescence imaging of Zn-Fe-bLf NCs showed tumor site-specific localization and regression of colon and breast tumor volume. Ex vivo fluorescence-imaging analysis of the vital organs of mice exhibited sparse localization patterns of Zn-Fe-bLf NCs and also confirmed tumor-specific selective localization patterns of Zn-Fe-bLf NCs. Dual imaging using magnetic resonance imaging and computerized tomography scans revealed an unprecedented theranostic ability of the Zn-Fe-bLf NCs. These observations warrant consideration of multimodular Zn-Fe-bLf NCs for real-time cancer imaging and simultaneous cancer-targeted therapy. PMID:27099495</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27133054','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27133054"><span>Formation and characterization of β-cyclodextrin (β-CD) - polyethyleneglycol (PEG) - polyethyleneimine (PEI) coated Fe3O4 nanoparticles for loading and releasing 5-Fluorouracil drug.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Prabha, G; Raj, V</p> <p>2016-05-01</p> <p>In this work, β-cyclodextrin (β-CD) - polyethyleneglycol (PEG) - polyethyleneimine (PEI) coated iron oxide nanoparticles (Fe3O4-β-CD-PEG-PEI) were developed as drug carriers for drug delivery applications. The 5- Fluorouracil (5-FU) was chosen as model drug molecule. The developed nanoparticles (Fe3O4-β-CD-PEG-PEI) were characterized by various techniques such as Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), Scanning electron microscopy (SEM), transmission electron microscopy (TEM) and vibrating sample magnetometry (VSM). The average particles size range of 5-FU loaded Fe3O4-β-CD, Fe3O4-β-CD-PEG and Fe3O4-β-CD-PEG-PEI nanoparticles were from 151 to 300nm and zeta potential value of nanoparticles were from -43mV to -20mV as measured using Malvern Zetasizer. Finally, encapsulation efficiency (EE), loading capacity (LC) and in-vitro drug release performance of 5-FU drug loaded Fe3O4-β-CD, Fe3O4-β-CD-PEG and Fe3O4-β-CD-PEG-PEI nanoparticles was evaluated by UV-vis spectroscopy. In-vitro cytotoxicity tests investigated by MTT assay indicate that 5-FU loaded Fe3O4-β-CD-PEG-PEI nanoparticles were toxic to cancer cells and non-toxic to normal cells. The in-vitro release behavior of 5-FU from drug (5-FU) loaded Fe3O4-β-CD-PEG-PEI composite at different pH values and temperature was studied. It was found that 5-FU was released faster in pH 6.8 than in the acidic mediums (pH 1.2), and the released quantity was higher. Therefore, the newly prepared Fe3O4-β-CD-PEG-PEI carrier exhibits a promising potential capability for anticancer drug delivery in tumor therapy. Copyright © 2016 Elsevier Masson SAS. All rights reserved.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li class="active"><span>13</span></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_13 --> <div id="page_14" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li class="active"><span>14</span></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="261"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28287233','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28287233"><span>Dithiolato-bridged nickel-iron complexes as models for the active site of [NiFe]-hydrogenases.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Song, Li-Cheng; Yang, Xi-Yue; Cao, Meng; Gao, Xiu-Yun; Liu, Bei-Bei; Zhu, Liang; Jiang, Feng</p> <p>2017-03-30</p> <p>The structural and functional modeling of the active site of [NiFe]-hydrogenases has been proved to be challenging to a great extent. Herein, we report the synthesis, structures, and some properties of the NiFe-based dicarbonyl, terminal hydride, and μ-hydroxo models for the active site of [NiFe]-hydrogenases.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28508488','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28508488"><span>Modelling female fertility traits in beef cattle using linear and non-linear models.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Naya, H; Peñagaricano, F; Urioste, J I</p> <p>2017-06-01</p> <p>Female fertility traits are key components of the profitability of beef cattle production. However, these traits are difficult and expensive to measure, particularly under extensive pastoral conditions, and consequently, fertility records are in general scarce and somehow incomplete. Moreover, fertility traits are usually dominated by the effects of herd-year environment, and it is generally assumed that relatively small margins are kept for genetic improvement. New ways of modelling genetic variation in these traits are needed. Inspired in the methodological developments made by Prof. Daniel Gianola and co-workers, we assayed linear (Gaussian), Poisson, probit (threshold), censored Poisson and censored Gaussian models to three different kinds of endpoints, namely calving success (CS), number of days from first calving (CD) and number of failed oestrus (FE). For models involving FE and CS, non-linear models overperformed their linear counterparts. For models derived from CD, linear versions displayed better adjustment than the non-linear counterparts. Non-linear models showed consistently higher estimates of heritability and repeatability in all cases (h 2 < 0.08 and r < 0.13, for linear models; h 2 > 0.23 and r > 0.24, for non-linear models). While additive and permanent environment effects showed highly favourable correlations between all models (>0.789), consistency in selecting the 10% best sires showed important differences, mainly amongst the considered endpoints (FE, CS and CD). In consequence, endpoints should be considered as modelling different underlying genetic effects, with linear models more appropriate to describe CD and non-linear models better for FE and CS. © 2017 Blackwell Verlag GmbH.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3291637','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3291637"><span>Biogenesis of iron-sulfur clusters in mammalian cells: new insights and relevance to human disease</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Rouault, Tracey A.</p> <p>2012-01-01</p> <p>Iron-sulfur (Fe-S) clusters are ubiquitous cofactors composed of iron and inorganic sulfur. They are required for the function of proteins involved in a wide range of activities, including electron transport in respiratory chain complexes, regulatory sensing, photosynthesis and DNA repair. The proteins involved in the biogenesis of Fe-S clusters are evolutionarily conserved from bacteria to humans, and many insights into the process of Fe-S cluster biogenesis have come from studies of model organisms, including bacteria, fungi and plants. It is now clear that several rare and seemingly dissimilar human diseases are attributable to defects in the basic process of Fe-S cluster biogenesis. Although these diseases –which include Friedreich’s ataxia (FRDA), ISCU myopathy, a rare form of sideroblastic anemia, an encephalomyopathy caused by dysfunction of respiratory chain complex I and multiple mitochondrial dysfunctions syndrome – affect different tissues, a feature common to many of them is that mitochondrial iron overload develops as a secondary consequence of a defect in Fe-S cluster biogenesis. This Commentary outlines the basic steps of Fe-S cluster biogenesis as they have been defined in model organisms. In addition, it draws attention to refinements of the process that might be specific to the subcellular compartmentalization of Fe-S cluster biogenesis proteins in some eukaryotes, including mammals. Finally, it outlines several important unresolved questions in the field that, once addressed, should offer important clues into how mitochondrial iron homeostasis is regulated, and how dysfunction in Fe-S cluster biogenesis can contribute to disease. PMID:22382365</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26780135','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26780135"><span>Donnan membrane speciation of Al, Fe, trace metals and REEs in coastal lowland acid sulfate soil-impacted drainage waters.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Jones, Adele M; Xue, Youjia; Kinsela, Andrew S; Wilcken, Klaus M; Collins, Richard N</p> <p>2016-03-15</p> <p>Donnan dialysis has been applied to forty filtered drainage waters collected from five coastal lowland acid sulfate soil (CLASS) catchments across north-eastern NSW, Australia. Despite having average pH values<3.9, 78 and 58% of Al and total Fe, respectively, were present as neutral or negatively-charged species. Complementary isotope dilution experiments with (55)Fe and (26)Al demonstrated that only soluble (i.e. no colloidal) species were present. Trivalent rare earth elements (REEs) were also mainly present (>70%) as negatively-charged complexes. In contrast, the speciation of the divalent trace metals Co, Mn, Ni and Zn was dominated by positively-charged complexes and was strongly correlated with the alkaline earth metals Ca and Mg. Thermodynamic equilibrium speciation calculations indicated that natural organic matter (NOM) complexes dominated Fe(III) speciation in agreement with that obtained by Donnan dialysis. In the case of Fe(II), however, the free cation was predicted to dominate under thermodynamic equilibrium, whilst our results indicated that Fe(II) was mainly present as neutral or negatively-charged complexes (most likely with sulfate). For all other divalent metals thermodynamic equilibrium speciation calculations agreed well with the Donnan dialysis results. The proportion of Al and REEs predicted to be negatively-charged was also grossly underestimated, relative to the experimental results, highlighting possible inaccuracies in the stability constants developed for these trivalent Me(SO4)2(-) and/or Me-NOM complexes and difficulties in modeling complex environmental samples. These results will help improve metal mobility and toxicity models developed for CLASS-affected environments, and also demonstrate that Australian CLASS environments can discharge REEs at concentrations an order of magnitude greater than previously reported. Copyright © 2015 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1358524-preliminary-progress-development-ductile-phase-toughened-tungsten-plasma-facing-materials-dual-phase-finite-element-damage-models','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1358524-preliminary-progress-development-ductile-phase-toughened-tungsten-plasma-facing-materials-dual-phase-finite-element-damage-models"><span>PRELIMINARY PROGRESS IN THE DEVELOPMENT OF DUCTILE-PHASE TOUGHENED TUNGSTEN FOR PLASMA-FACING MATERIALS: DUAL-PHASE FINITE ELEMENT DAMAGE MODELS</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Henager, Charles H.; Nguyen, Ba Nghiep; Kurtz, Richard J.</p> <p></p> <p>The objective of this study is to develop a finite element continuum damage model suitable for modeling deformation, cracking, and crack bridging for W-Cu, W-Ni-Fe, and other ductile phase toughened W-composites, or more generally, any multi-phase composite structure where two or more phases undergo cooperative deformation in a composite system.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29635609','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29635609"><span>Computational Modeling of Blast Wave Transmission Through Human Ear.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Leckness, Kegan; Nakmali, Don; Gan, Rong Z</p> <p>2018-03-01</p> <p>Hearing loss has become the most common disability among veterans. Understanding how blast waves propagate through the human ear is a necessary step in the development of effective hearing protection devices (HPDs). This article presents the first 3D finite element (FE) model of the human ear to simulate blast wave transmission through the ear. The 3D FE model of the human ear consisting of the ear canal, tympanic membrane, ossicular chain, and middle ear cavity was imported into ANSYS Workbench for coupled fluid-structure interaction analysis in the time domain. Blast pressure waveforms recorded external to the ear in human cadaver temporal bone tests were applied at the entrance of the ear canal in the model. The pressure waveforms near the tympanic membrane (TM) in the canal (P1) and behind the TM in the middle ear cavity (P2) were calculated. The model-predicted results were then compared with measured P1 and P2 waveforms recorded in human cadaver ears during blast tests. Results show that the model-derived P1 waveforms were in an agreement with the experimentally recorded waveforms with statistic Kurtosis analysis. The FE model will be used for the evaluation of HPDs in future studies.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3444072','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3444072"><span>Method for Vibration Response Simulation and Sensor Placement Optimization of a Machine Tool Spindle System with a Bearing Defect</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Cao, Hongrui; Niu, Linkai; He, Zhengjia</p> <p>2012-01-01</p> <p>Bearing defects are one of the most important mechanical sources for vibration and noise generation in machine tool spindles. In this study, an integrated finite element (FE) model is proposed to predict the vibration responses of a spindle bearing system with localized bearing defects and then the sensor placement for better detection of bearing faults is optimized. A nonlinear bearing model is developed based on Jones' bearing theory, while the drawbar, shaft and housing are modeled as Timoshenko's beam. The bearing model is then integrated into the FE model of drawbar/shaft/housing by assembling equations of motion. The Newmark time integration method is used to solve the vibration responses numerically. The FE model of the spindle-bearing system was verified by conducting dynamic tests. Then, the localized bearing defects were modeled and vibration responses generated by the outer ring defect were simulated as an illustration. The optimization scheme of the sensor placement was carried out on the test spindle. The results proved that, the optimal sensor placement depends on the vibration modes under different boundary conditions and the transfer path between the excitation and the response. PMID:23012514</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1132729','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1132729"><span>Report on the Implementation of Homogeneous Nucleation Scheme in MARMOT-based Phase Field Simulation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Li, Yulan; Hu, Shenyang Y.; Sun, Xin</p> <p>2013-09-30</p> <p>In this report, we summarized our effort in developing mesoscale phase field models for predicting precipitation kinetics in alloys during thermal aging and/or under irradiation in nuclear reactors. The first part focused on developing a method to predict the thermodynamic properties of critical nuclei such as the sizes and concentration profiles of critical nuclei, and nucleation barrier. These properties are crucial for quantitative simulations of precipitate evolution kinetics with phase field models. Fe-Cr alloy was chosen as a model alloy because it has valid thermodynamic and kinetic data as well as it is an important structural material in nuclear reactors.more » A constrained shrinking dimer dynamics (CSDD) method was developed to search for the energy minimum path during nucleation. With the method we are able to predict the concentration profiles of the critical nuclei of Cr-rich precipitates and nucleation energy barriers. Simulations showed that Cr concentration distribution in the critical nucleus strongly depends on the overall Cr concentration as well as temperature. The Cr concentration inside the critical nucleus is much smaller than the equilibrium concentration calculated by the equilibrium phase diagram. This implies that a non-classical nucleation theory should be used to deal with the nucleation of Cr precipitates in Fe-Cr alloys. The growth kinetics of both classical and non-classical nuclei was investigated by the phase field approach. A number of interesting phenomena were observed from the simulations: 1) a critical classical nucleus first shrinks toward its non-classical nucleus and then grows; 2) a non-classical nucleus has much slower growth kinetics at its earlier growth stage compared to the diffusion-controlled growth kinetics. 3) a critical classical nucleus grows faster at the earlier growth stage than the non-classical nucleus. All of these results demonstrated that it is critical to introduce the correct critical nuclei into phase field modeling in order to correctly capture the kinetics of precipitation. In most alloys the matrix phase and precipitate phase have different concentrations as well as different crystal structures. For example, Cu precipitates in FeCu alloys have fcc crystal structure while the matrix Fe-Cu solid solution has bcc structure at low temperature. The WBM model and KimS model, where both concentrations and order parameters are chosen to describe the microstructures, are commonly used to model precipitations in such alloys. The WBM and KimS models have not been implemented into Marmot yet. In the second part of this report, we focused on implementing the WBM and KimS models into Marmot. The Fe-Cu alloys, which are important structure materials in nuclear reactors, was taken as the model alloys to test the models.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26689874','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26689874"><span>Experimental design and Bayesian networks for enhancement of delta-endotoxin production by Bacillus thuringiensis.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ennouri, Karim; Ayed, Rayda Ben; Hassen, Hanen Ben; Mazzarello, Maura; Ottaviani, Ennio</p> <p>2015-12-01</p> <p>Bacillus thuringiensis (Bt) is a Gram-positive bacterium. The entomopathogenic activity of Bt is related to the existence of the crystal consisting of protoxins, also called delta-endotoxins. In order to optimize and explain the production of delta-endotoxins of Bacillus thuringiensis kurstaki, we studied seven medium components: soybean meal, starch, KH₂PO₄, K₂HPO₄, FeSO₄, MnSO₄, and MgSO₄and their relationships with the concentration of delta-endotoxins using an experimental design (Plackett-Burman design) and Bayesian networks modelling. The effects of the ingredients of the culture medium on delta-endotoxins production were estimated. The developed model showed that different medium components are important for the Bacillus thuringiensis fermentation. The most important factors influenced the production of delta-endotoxins are FeSO₄, K2HPO₄, starch and soybean meal. Indeed, it was found that soybean meal, K₂HPO₄, KH₂PO₄and starch also showed positive effect on the delta-endotoxins production. However, FeSO4 and MnSO4 expressed opposite effect. The developed model, based on Bayesian techniques, can automatically learn emerging models in data to serve in the prediction of delta-endotoxins concentrations. The constructed model in the present study implies that experimental design (Plackett-Burman design) joined with Bayesian networks method could be used for identification of effect variables on delta-endotoxins variation.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28216237','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28216237"><span>Development of an anti-ferret CD4 monoclonal antibody for the characterisation of ferret T lymphocytes.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Layton, Daniel S; Xiao, Xiaowen; Bentley, John D; Lu, Louis; Stewart, Cameron R; Bean, Andrew G D; Adams, Timothy E</p> <p>2017-05-01</p> <p>The ferret is an established animal model for a number of human respiratory viral infections, such as influenza virus and more recently, Ebola virus. However, a paucity of immunological reagents has hampered the study of cellular immune responses. Here we describe the development and characterisation of a novel monoclonal antibody (mAb) against the ferret CD4 antigen and the characterisation of ferret CD4 T lymphocytes. Recombinant production and purification of the ferret CD4 ectodomain soluble protein allowed hybridoma generation and the generation of a mAb (FeCD4) showing strong binding to ferret CD4 protein and lymphoid cells by flow cytometry. FeCD4 bound to its cognate antigen post-fixation with paraformaldehyde (PFA) which is routinely used to inactivate highly pathogenic viruses. We have also used FeCD4 in conjunction with other immune cell markers to characterise ferret T cells in both primary and secondary lymphoid organs. In summary, we have developed an important reagent for the study of cellular immunological responses in the ferret model of infectious disease. Copyright © 2017 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1997PhDT........89S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1997PhDT........89S"><span>Speciation of iron in ambient aerosol and cloudwater</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Siefert, Ronald Lyn</p> <p>1997-03-01</p> <p>Atmospheric iron (Fe) is thought to play an important role in cloudwater chemistry (e.g., S(IV) oxidation, oxidant production, etc.), and is also an important source of Fe to certain regions of the world's oceans where Fe is believed to be a rate-limiting nutrient for primary productivity. This thesis focuses on understanding the chemistry, speciation and abundance of Fe in cloudwater and aerosol in the troposphere, through observations of Fe speciation in the cloudwater and aerosol samples collected over the continental United States and the Arabian Sea. Different chemical species of atmospheric Fe were measured in aerosol and cloudwater samples to help assess the role of Fe in cloudwater chemistry. Chapter 2 presents a set of experiments which used ambient aerosol samples suspended in aqueous solution and then irradiated with uv-light to simulate cloudwater conditions. These experiments found Fe to be a critical component for the production of H2O2. Chapter 3 discusses the development and application of a novel photochemical extraction method for the determination of photochemically-available Fe in ambient aerosol samples. Photochemically-available Fe ranged from <4 ng m-3 to 308 ng m-3, and accounted for 2.8% to 100% of the total Fe in aerosol samples collected in California and New York. Calculations based on the results of these experiments predicted that redox reactions of Fe in cloudwater could be an important in situ source of oxidants (ċOH, HO2ċ/O2/cdot/sb- ). Chapter 4 presents results of several field studies which measured the redox states of Fe and other transition metals (Mn, Cu and Cr) in cloudwater. These measurements were then used in thermodynamic models which predicted Fe(III) to be either as Fe(III)-hydroxy species or Fe(III)-oxalate species. However, an unidentified strong chelating ligand with Fe(III) was also suggested by the thermodynamic model results. Chapter 5 presents results of a field study conducted on the Arabian Sea. Total atmospheric labile-Fe(II) ranged between <0.09 ng m-3 to 7.5 ng m-3 during the inter-monsoon period, and was consistently below the detection limit during the southwest-monsoon period. The labile-Fe(II) measured during the inter-monsoon period was predominantly found in the fine fraction of the aerosol. Principal component analysis revealed a significant source of Fe and Mn which was not associated with the main aeolian dust component.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2858874','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2858874"><span>Chelate-Modified Fenton Reaction for the Degradation of Trichloroethylene in Aqueous and Two-Phase Systems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Lewis, Scott; Lynch, Andrew; Bachas, Leonidas; Hampson, Steve; Ormsbee, Lindell; Bhattacharyya, Dibakar</p> <p>2009-01-01</p> <p>Abstract The primary objective of this research was to model and understand the chelate-modified Fenton reaction for the destruction of trichloroethylene (TCE) present in both the aqueous and organic (in the form of droplets) phases. The addition of a nontoxic chelate (L), such as citrate or gluconic acid, allows for operation at near-neutral pH and controlled release of Fe(II)/Fe(III). For the standard Fenton reaction at low pH in two-phase systems, an optimum H2O2:Fe(II) molar ratio was found to be between 1:1 and 2:1. Experimentation proved the chelate-modified Fenton reaction effectively dechlorinated TCE in both the aqueous and organic phases at pH 6–7 using low H2O2:Fe(II) molar ratios (4:1 to 8:1). Increasing the L:Fe ratio was found to decrease the rate of H2O2 degradation in both Fe(II) and Fe(III) systems at near-neutral pH. Generalized models were developed to predict the concentration of TCE in the aqueous phase and TCE droplet radius as a function of time using literature-reported hydroxyl radical reaction kinetics and mass transfer relationships. Additional aspects of this work include the reusability of the Fe–citrate complex under repeated H2O2 injections in real water systems as well as packed column studies for simulated groundwater injection. PMID:20418966</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1049188-thermodynamic-modeling-experimental-validation-fe-al-ni-cr-mo-alloy-system','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1049188-thermodynamic-modeling-experimental-validation-fe-al-ni-cr-mo-alloy-system"><span>Thermodynamic modeling and experimental validation of the Fe-Al-Ni-Cr-Mo alloy system</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Teng, Zhenke; Zhang, F; Miller, Michael K</p> <p>2012-01-01</p> <p>NiAl-type precipitate-strengthened ferritic steels have been known as potential materials for the steam turbine applications. In this study, thermodynamic descriptions of the B2-NiAl type nano-scaled precipitates and body-centered-cubic (BCC) Fe matrix phase for four alloys based on the Fe-Al-Ni-Cr-Mo system were developed as a function of the alloy composition at the aging temperature. The calculated phase structure, composition, and volume fraction were validated by the experimental investigations using synchrotron X-ray diffraction and atom probe tomography. With the ability to accurately predict the key microstructural features related to the mechanical properties in a given alloy system, the established thermodynamic model inmore » the current study may significantly accelerate the alloy design process of the NiAl-strengthened ferritic steels.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://rosap.ntl.bts.gov/view/dot/30850','DOTNTL'); return false;" href="https://rosap.ntl.bts.gov/view/dot/30850"><span>Development of a 3D FEM model for concrete tie and fastening systems.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntlsearch.bts.gov/tris/index.do">DOT National Transportation Integrated Search</a></p> <p></p> <p>2015-01-31</p> <p>This project conducted detailed finite element (FE) modeling of the concrete crosstie and fastening system to better understand the mechanisms through which loads transfer within various track components in the lateral direction. This was completed b...</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018E%26ES..140a2030A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018E%26ES..140a2030A"><span>Assessment of kinetic models on Fe adsorption in groundwater using high-quality limestone</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Akbar, N. A.; Kamil, N. A. F. Mohd; Zin, N. S. Md; Adlan, M. N.; Aziz, H. A.</p> <p>2018-04-01</p> <p>During the groundwater pumping process, dissolved Fe2+ is oxidized into Fe3+ and produce rust-coloured iron mineral. Adsorption kinetic models are used to evaluate the performance of limestone adsorbent and describe the mechanism of adsorption and the diffusion processes of Fe adsorption in groundwater. This work presents the best kinetic model of Fe adsorption, which was chosen based on a higher value of coefficient correlation, R2. A batch adsorption experiment was conducted for various contact times ranging from 0 to 135 minutes. From the results of the batch study, three kinetic models were analyzed for Fe removal onto limestone sorbent, including the pseudo-first order (PFO), pseudo-second order (PSO) and intra-particle diffusion (IPD) models. Results show that the adsorption kinetic models follow the sequence: PSO > PFO > IPD, where the values of R2 are 0.997 > 0.919 > 0.918. A high value of R2 (0.997) reveals better fitted experimental data. Furthermore, the value of qe cal in the PSO kinetic model is very near to qe exp rather than that in other models. This finding therefore suggests that the PSO kinetic model has the good fitted with the experimental data which involved chemisorption process of divalent Fe removal in groundwater solution. Thus, limestone adsorbent media found to be an alternative and effective treatment of Fe removal from groundwater.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016ApCM...23.1209G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016ApCM...23.1209G"><span>Simulating Initial and Progressive Failure of Open-Hole Composite Laminates under Tension</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Guo, Zhangxin; Zhu, Hao; Li, Yongcun; Han, Xiaoping; Wang, Zhihua</p> <p>2016-12-01</p> <p>A finite element (FE) model is developed for the progressive failure analysis of fiber reinforced polymer laminates. The failure criterion for fiber and matrix failure is implemented in the FE code Abaqus using user-defined material subroutine UMAT. The gradual degradation of the material properties is controlled by the individual fracture energies of fiber and matrix. The failure and damage in composite laminates containing a central hole subjected to uniaxial tension are simulated. The numerical results show that the damage model can be used to accurately predicte the progressive failure behaviour both qualitatively and quantitatively.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018PhRvB..97q4417L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018PhRvB..97q4417L"><span>Revisiting the magnetic structure and charge ordering in La1 /3Sr2 /3FeO3 by neutron powder diffraction and Mössbauer spectroscopy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Li, F.; Pomjakushin, V.; Mazet, T.; Sibille, R.; Malaman, B.; Yadav, R.; Keller, L.; Medarde, M.; Conder, K.; Pomjakushina, E.</p> <p>2018-05-01</p> <p>The magnetic ordering of La1 /3Sr2 /3FeO3 perovskite has been studied by neutron powder diffraction and 57Fe Mössbauer spectroscopy down to 2 K. From symmetry analysis, a chiral helical model and a collinear model are proposed to describe the magnetic structure. Both are commensurate, with propagation vector k =(0 ,0 ,1 ) in R 3 ¯c space group. In the former model, the magnetic moments of Fe adopt the magnetic space group P 3221 and have helical and antiferromagnetic ordering propagating along the c axis. The model allows only a single Fe site, with a magnetic moment of 3.46(2)μB at 2 K. In the latter model, the magnetic moments of iron ions adopt the magnetic space group C 2 /c or C 2'/c' and are aligned collinearly. The model allows the presence of two inequivalent Fe sites with magnetic moments of amplitude 3.26(3)μB and 3.67(2)μB, respectively. The neutron-diffraction pattern is equally well fitted by either model. The Mössbauer spectroscopy study suggests a single charge state Fe3.66 + above the magnetic transition and a charge disproportionation into Fe(3.66 -ζ )+ and Fe(3.66 +2 ζ )+ below the magnetic transition. The compatibility of the magnetic structure models with the Mössbauer spectroscopy results is discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MNRAS.464.3597L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MNRAS.464.3597L"><span>IMF and [Na/Fe] abundance ratios from optical and NIR spectral features in early-type galaxies</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>La Barbera, F.; Vazdekis, A.; Ferreras, I.; Pasquali, A.; Allende Prieto, C.; Röck, B.; Aguado, D. S.; Peletier, R. F.</p> <p>2017-01-01</p> <p>We present a joint analysis of the four most prominent sodium-sensitive features (Na D, Na I λ8190Å, Na I λ1.14 μm, and Na I λ2.21 μm), in the optical and near-infrared spectral ranges, of two nearby, massive (σ ˜ 300 km s-1), early-type galaxies (named XSG1 and XSG2). Our analysis relies on deep Very Large Telescope/X-Shooter long-slit spectra, along with newly developed stellar population models, allowing for [Na/Fe] variations, up to ˜1.2 dex, over a wide range of age, total metallicity, and initial mass function (IMF) slope. The new models show that the response of the Na-dependent spectral indices to [Na/Fe] is stronger when the IMF is bottom heavier. For the first time, we are able to match all four Na features in the central regions of massive early-type galaxies finding an overabundance of [Na/Fe] in the range 0.5-0.7 dex and a bottom-heavy IMF. Therefore, individual abundance variations cannot be fully responsible for the trends of gravity-sensitive indices, strengthening the case towards a non-universal IMF. Given current limitations of theoretical atmosphere models, our [Na/Fe] estimates should be taken as upper limits. For XSG1, where line strengths are measured out to ˜0.8 Re, the radial trend of [Na/Fe] is similar to [α/Fe] and [C/Fe], being constant out to ˜0.5 Re, and decreasing by ˜0.2-0.3 dex at ˜0.8 Re, without any clear correlation with local metallicity. Such a result seems to be in contrast to the predicted increase of Na nucleosynthetic yields from asymptotic giant branch stars and Type II supernovae. For XSG1, the Na-inferred IMF radial profile is consistent, within the errors, with that derived from TiO features and the Wing-Ford band presented in a recent paper.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25152881','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25152881"><span>Connecting mechanics and bone cell activities in the bone remodeling process: an integrated finite element modeling.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hambli, Ridha</p> <p>2014-01-01</p> <p>Bone adaptation occurs as a response to external loadings and involves bone resorption by osteoclasts followed by the formation of new bone by osteoblasts. It is directly triggered by the transduction phase by osteocytes embedded within the bone matrix. The bone remodeling process is governed by the interactions between osteoblasts and osteoclasts through the expression of several autocrine and paracrine factors that control bone cell populations and their relative rate of differentiation and proliferation. A review of the literature shows that despite the progress in bone remodeling simulation using the finite element (FE) method, there is still a lack of predictive models that explicitly consider the interaction between osteoblasts and osteoclasts combined with the mechanical response of bone. The current study attempts to develop an FE model to describe the bone remodeling process, taking into consideration the activities of osteoclasts and osteoblasts. The mechanical behavior of bone is described by taking into account the bone material fatigue damage accumulation and mineralization. A coupled strain-damage stimulus function is proposed, which controls the level of autocrine and paracrine factors. The cellular behavior is based on Komarova et al.'s (2003) dynamic law, which describes the autocrine and paracrine interactions between osteoblasts and osteoclasts and computes cell population dynamics and changes in bone mass at a discrete site of bone remodeling. Therefore, when an external mechanical stress is applied, bone formation and resorption is governed by cells dynamic rather than adaptive elasticity approaches. The proposed FE model has been implemented in the FE code Abaqus (UMAT routine). An example of human proximal femur is investigated using the model developed. The model was able to predict final human proximal femur adaptation similar to the patterns observed in a human proximal femur. The results obtained reveal complex spatio-temporal bone adaptation. The proposed FEM model gives insight into how bone cells adapt their architecture to the mechanical and biological environment.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://pubs.er.usgs.gov/publication/70185413','USGSPUBS'); return false;" href="https://pubs.er.usgs.gov/publication/70185413"><span>Geochemical interactions between constituents in acidic groundwater and alluvium in an aquifer near Globe, Arizona</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://pubs.er.usgs.gov/pubs/index.jsp?view=adv">USGS Publications Warehouse</a></p> <p>Stollenwerk, Kenneth G.</p> <p>1994-01-01</p> <p>Acidic water from a copper-mining area has contaminated an alluvial aquifer and stream near Globe, Arizona. The most contaminated groundwater has a pH of 3.3, and contains about 100 mmol/1 SO4, 50 mmol/1 Fe, 11 mmol/1 Al and 3 mmol/1 Cu. Reactions between alluvium and acidic groundwater were first evaluated in laboratory column experiments. A geochemical model was developed and used in the equilibrium speciation program, MINTEQA2, to simulate breakthrough curves for different constituents from the column. The geochemical model was then used to simulate the measured changes in concentration of aqueous constituents along a flow path in the aquifer.The pH was predominantly controlled by reaction with carbonate minerals. Where carbonates had been dissolved, adsorption of H+ by iron oxides was used to simulate pH. Acidic groundwater contained little or no dissolved oxygen, and most aqueous Fe was present as Fe(II). In the anoxic core of the plume, Fe(II) was oxidized by MnO2 to Fe(III), which then precipitated as Fe(OH)3. Attenuation of aqueous Cu, Co, Mn, Ni and Zn was a function of pH and could be quantitatively modeled with the diffuse-layer, surface complexation model in MINTEQA2. Aluminum precipitated as amorphous Al(OH)3 at pH < 4.7 and as AlOHSO4 at pH < 4.7. Aqueous Ca and SO4were close to equilibrium with gypsum.After the alluvium in the column had reached equilibrium with acidic groundwater, uncontaminated groundwater was eluted through the column to evaluate the effect of reactants on groundwater remediation. The concentration of Fe, Mn, Cu, Co, Ni and Zn rapidly decreased to the detection limits within a few pore volumes. All of the gypsum that had precipitated initially redissolved, resulting in elevated Ca and SO4concentrations for about 5 pore volumes. Aluminum and pH exhibited the most potential for continued adverse effects on groundwater quality. As H+ desorbed from Fe(OH)3, pH remained below 4.5 for more than 20 pore volumes, resulting in dissolution of AlOHSO4 and elevated aqueous Al.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li class="active"><span>14</span></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_14 --> <div id="page_15" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li class="active"><span>15</span></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="281"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29860695','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29860695"><span>Boosting the catalytic activity of natural magnetite for wet peroxide oxidation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Álvarez-Torrellas, Silvia; Munoz, Macarena; Mondejar, Victor; de Pedro, Zahara M; Casas, Jose A</p> <p>2018-06-02</p> <p>This work explores the modification of naturally occurring magnetite by controlled oxidation (200-400 °C, air atmosphere) and reduction (300-600 °C, H 2 atmosphere) treatments with the aim of boosting its activity in CWPO. The resulting materials were fully characterized by XRD, XPS, TGA, TPR, SEM, and magnetization measurements, allowing to confirm the development of core-shell type structures. The magnetite core of the solid remained unchanged upon the treatment whereas the Fe(II)/Fe(III) ratio of the shell was modified (e.g. 0.42, 0.11 and 0.63 values were calculated for pristine Fe 3 O 4 , Fe 3 O 4 -O400, and Fe 3 O 4 -R400, respectively). The performance of the catalysts was tested in the CWPO of sulfamethoxazole (SMX) (5 mg L -1 ) under ambient conditions and circumneutral pH (pH 0 = 5), using the stoichiometric dose of H 2 O 2 (25 mg L -1 ) and a catalyst load of 1 g L -1 . The key role of the ferrous species on the mineral shell was evidenced. Whereas the oxidation of magnetite led to significantly slower degradation rates of the pollutant, its reduction gave rise to a dramatic increase, achieving the complete removal of SMX in 1.5 h reaction time with the optimum catalyst (Fe 3 O 4 -R400) compared to the 3.5 h required with the pristine mineral. A reaction mechanism was proposed for SMX degradation, and a kinetic equation based on the Eley-Rideal model was accordingly developed. This model successfully fitted the experimental results. The stability of Fe 3 O 4 -R400 was evaluated upon five sequential runs. Finally, the versatility of the catalytic system was proved in real environmentally relevant water matrices.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JPhCS.739a2016M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JPhCS.739a2016M"><span>Melting Penetration Simulation of Fe-U System at High Temperature Using MPS_LER</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mustari, A. P. A.; Yamaji, A.; Irwanto, Dwi</p> <p>2016-08-01</p> <p>Melting penetration information of Fe-U system is necessary for simulating the molten core behavior during severe accident in nuclear power plants. For Fe-U system, the information is mainly obtained from experiment, i.e. TREAT experiment. However, there is no reported data on SS304 at temperature above 1350°C. The MPS_LER has been developed and validated to simulate melting penetration on Fe-U system. The MPS_LER modelled the eutectic phenomenon by solving the diffusion process and by applying the binary phase diagram criteria. This study simulates the melting penetration of the system at higher temperature using MPS_LER. Simulations were conducted on SS304 at 1400, 1450 and 1500°C. The simulation results show rapid increase of melting penetration rate.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MS%26E..267a2007W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MS%26E..267a2007W"><span>Determination of COD based on Photoelectrocatalysis of FeTiO3.TiO2/Ti Electrode</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wibowo, D.; Ruslan; Maulidiyah; Nurdin, M.</p> <p>2017-11-01</p> <p>Iron infrastructure technology of (Fe)-doped TiO2 nanotubes arrays (NTAs) was prepared for COD photoelectrocatalysis sensor. Fe-TiO2 NTAs was prepared using sol-gel method and coated with TiO2/Ti electrode by immersion technique. The optimization of COD photoelectrocatalytic sensor against Rhodamine B, Methyl Orange, and Methylene Blue organic dyes using photoelectrochemical system in a batch reactor. The high ordered FeTiO3.TiO2/Ti NTAs to determine COD value showed the high photocurrent response linearity and sensitivity to MO organic dye from the concentration of 5 ppm to 75 ppm with an average RSD value of 3.35. The development in this research is to utilize ilmenite mineral as model applied to COD sensor.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1298276-thermal-equation-state-hcp-iron-constraint-density-deficit-earth-solid-inner-core-thermal-equation-state-hcp-iron','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1298276-thermal-equation-state-hcp-iron-constraint-density-deficit-earth-solid-inner-core-thermal-equation-state-hcp-iron"><span>Thermal equation of state of hcp-iron: Constraint on the density deficit of Earth's solid inner core: THERMAL EQUATION OF STATE OF HCP-IRON</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Fei, Yingwei; Murphy, Caitlin; Shibazaki, Yuki</p> <p></p> <p>We conducted high-pressure experiments on hexagonal close packed iron (hcp-Fe) in MgO, NaCl, and Ne pressure-transmitting media and found general agreement among the experimental data at 300 K that yield the best fitted values of the bulk modulus K 0 = 172.7(±1.4) GPa and its pressure derivative K 0'= 4.79(±0.05) for hcp-Fe, using the third-order Birch-Murnaghan equation of state. Using the derived thermal pressures for hcp-Fe up to 100 GPa and 1800 K and previous shockwave Hugoniot data, we developed a thermal equation of state of hcp-Fe. The thermal equation of state of hcp-Fe is further used to calculate themore » densities of iron along adiabatic geotherms to define the density deficit of the inner core, which serves as the basis for developing quantitative composition models of the Earth's inner core. We determine the density deficit at the inner core boundary to be 3.6%, assuming an inner core boundary temperature of 6000 K.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27770872','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27770872"><span>Synthesis and characterization of mesoporous magnetic nanocomposites wrapped with chitosan gatekeepers for pH-sensitive controlled release of doxorubicin.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wu, Juan; Jiang, Wei; Shen, Yewen; Jiang, Wei; Tian, Renbing</p> <p>2017-01-01</p> <p>Multifunctional nanocarriers based on the Fe 3 O 4 nanoparticles core and mesoporous silica shell (mSiO 2 ) were synthesized for controlled drug release through magnetic targeting and pH-sensitive performances. The developed Fe 3 O 4 @mSiO 2 nanocarriers exhibited a suitable size (63nm) and good magnetic responsibility, doxorubicin (DOX) could be successfully loaded into the mesoporous of Fe 3 O 4 @mSiO 2 via electrostatic interaction, and the drug loading content and loading efficiency are 29.3% and 93.6%, respectively. The chitosan (CS) was employed to wrap the Fe 3 O 4 @mSiO 2 -DOX as the blocking agent to inhibit premature drug release, and the final CS/Fe 3 O 4 @mSiO 2 -DOX exhibited excellent pH-sensitivity, 86.1% DOX was released within 48h at pH4.0. Furthermore, all the release behaviors fit the Higuchi model very well and a purely diffusion-controlled process played a major role on DOX release from CS/Fe 3 O 4 @mSiO 2 -DOX. In addition, MTT assays in human liver hepatocellular carcinoma cells (HepG2) demonstrated that the CS/Fe 3 O 4 @mSiO 2 -DOX had high anti-tumor activity, while the Fe 3 O 4 @mSiO 2 nanocarriers were practically non-toxic. Thus, our results revealed that the CS/Fe 3 O 4 @mSiO 2 -DOX could play an important role in the development of intracellular delivery nanodevices for cancer therapy. Copyright © 2016 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27203801','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27203801"><span>EIT image reconstruction based on a hybrid FE-EFG forward method and the complete-electrode model.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hadinia, M; Jafari, R; Soleimani, M</p> <p>2016-06-01</p> <p>This paper presents the application of the hybrid finite element-element free Galerkin (FE-EFG) method for the forward and inverse problems of electrical impedance tomography (EIT). The proposed method is based on the complete electrode model. Finite element (FE) and element-free Galerkin (EFG) methods are accurate numerical techniques. However, the FE technique has meshing task problems and the EFG method is computationally expensive. In this paper, the hybrid FE-EFG method is applied to take both advantages of FE and EFG methods, the complete electrode model of the forward problem is solved, and an iterative regularized Gauss-Newton method is adopted to solve the inverse problem. The proposed method is applied to compute Jacobian in the inverse problem. Utilizing 2D circular homogenous models, the numerical results are validated with analytical and experimental results and the performance of the hybrid FE-EFG method compared with the FE method is illustrated. Results of image reconstruction are presented for a human chest experimental phantom.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/974562','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/974562"><span>Atomic-Scale Design of Iron Fischer-Tropsch Catalysts; A Combined Computational Chemistry, Experimental, and Microkinetic Modeling Approach</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Manos Mavrikakis; James Dumesic; Rahul Nabar</p> <p>2008-09-29</p> <p>This work focuses on (1) searching/summarizing published Fischer-Tropsch synthesis (FTS) mechanistic and kinetic studies of FTS reactions on iron catalysts; (2) preparation and characterization of unsupported iron catalysts with/without potassium/platinum promoters; (3) measurement of H{sub 2} and CO adsorption/dissociation kinetics on iron catalysts using transient methods; (3) analysis of the transient rate data to calculate kinetic parameters of early elementary steps in FTS; (4) construction of a microkinetic model of FTS on iron, and (5) validation of the model from collection of steady-state rate data for FTS on iron catalysts. Three unsupported iron catalysts and three alumina-supported iron catalysts weremore » prepared by non-aqueous-evaporative deposition (NED) or aqueous impregnation (AI) and characterized by chemisorption, BET, temperature-programmed reduction (TPR), extent-of-reduction, XRD, and TEM methods. These catalysts, covering a wide range of dispersions and metal loadings, are well-reduced and relatively thermally stable up to 500-600 C in H{sub 2} and thus ideal for kinetic and mechanistic studies. Kinetic parameters for CO adsorption, CO dissociation, and surface carbon hydrogenation on these catalysts were determined from temperature-programmed desorption (TPD) of CO and temperature programmed surface hydrogenation (TPSR), temperature-programmed hydrogenation (TPH), and isothermal, transient hydrogenation (ITH). A microkinetic model was constructed for the early steps in FTS on polycrystalline iron from the kinetic parameters of elementary steps determined experimentally in this work and from literature values. Steady-state rate data were collected in a Berty reactor and used for validation of the microkinetic model. These rate data were fitted to 'smart' Langmuir-Hinshelwood rate expressions derived from a sequence of elementary steps and using a combination of fitted steady-state parameters and parameters specified from the transient measurements. The results provide a platform for further development of microkinetic models of FTS on Fe and a basis for more precise modeling of FTS activity of Fe catalysts. Calculations using periodic, self-consistent Density Functional Theory (DFT) methods were performed on various realistic models of industrial, Fe-based FTS catalysts. Close-packed, most stable Fe(110) facet was analyzed and subsequently carbide formation was found to be facile leading to the choice of the FeC(110) model representing a Fe facet with a sub-surface C atom. The Pt adatom (Fe{sup Pt}(110)) was found to be the most stable model for our studies into Pt promotion and finally the role of steps was elucidated by recourse to the defected Fe(211) facet. Binding Energies(BEs), preferred adsorption sites and geometries for all FTS relevant stable species and intermediates were evaluated on each model catalyst facet. A mechanistic model (comprising of 32 elementary steps involving 19 species) was constructed and each elementary step therein was fully characterized with respect to its thermochemistry and kinetics. Kinetic calculations involved evaluation of the Minimum Energy Pathways (MEPs) and activation energies (barriers) for each step. Vibrational frequencies were evaluated for the preferred adsorption configuration of each species with the aim of evaluating entropy-changes, pre exponential factors and serving as a useful connection with experimental surface science techniques. Comparative analysis among these four facets revealed important trends in their relative behavior and roles in FTS catalysis. Overall the First Principles Calculations afforded us a new insight into FTS catalysis on Fe and modified-Fe catalysts.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1439974','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1439974"><span>Atomic-scale to Meso-scale Simulation Studies of Thermal Ageing and Irradiation Effects in Fe- Cr Alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Stanley, Eugene; Liu, Li</p> <p></p> <p>In this project, we target at three primary objectives: (1) Molecular Dynamics (MD) code development for Fe-Cr alloys, which can be utilized to provide thermodynamic and kinetic properties as inputs in mesoscale Phase Field (PF) simulations; (2) validation and implementation of the MD code to explain thermal ageing and radiation damage; and (3) an integrated modeling platform for MD and PF simulations. These two simulation tools, MD and PF, will ultimately be merged to understand and quantify the kinetics and mechanisms of microstructure and property evolution of Fe-Cr alloys under various thermal and irradiation environments</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28143678','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28143678"><span>Episodic memory functions in first episode psychosis and clinical high risk individuals.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Greenland-White, Sarah E; Ragland, J Daniel; Niendam, Tara A; Ferrer, Emilio; Carter, Cameron S</p> <p>2017-10-01</p> <p>Individuals with schizophrenia have disproportionate memory impairments when encoding relational versus item-specific information, and when using recollection versus familiarity during retrieval. It is unclear whether this pattern is unique to people with chronic schizophrenia, or if it occurs in individuals after a first episode of psychosis (FE), or when at clinical high-risk for psychosis (CHR). We administered the Relational and Item-Specific Memory task (RiSE) to 22 CHR, 101 FE, and 58 typically developing (TD) participants. We examined group differences in item and relational encoding, and familiarity-based and recollection-based retrieval using parametric analysis and structural equation modeling (SEM). Longitudinal data allowed us to examine relations between baseline RiSE performance and change in clinical symptoms at 1-year follow-up in the FE group. Groups did not differ on familiarity. FE and CHR groups were equally impaired on overall recognition accuracy. Although recollection was impaired in both FE and CHR groups following relational encoding, only the FE group had impaired recollection following item encoding. SEM showed atypical relationships between familiarity and recollection, as well as familiarity and item recognition for both the FE and CHR groups. For FE individuals, better baseline recognition accuracy predicted less severe negative symptoms at 1-year follow-up. Impaired relational and recollective memory may reflect neurodevelopmental abnormalities predating conversion to psychosis. These memory deficits appear related to negative symptom changes. In contrast, item specific recollection deficits appear to occur after the development of full psychosis. Familiarity appears to be a relatively preserved memory function across the psychosis spectrum. Copyright © 2017 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1376391-dislocation-loop-evolution-during-situ-ion-irradiation-model-fecral-alloys','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1376391-dislocation-loop-evolution-during-situ-ion-irradiation-model-fecral-alloys"><span>Dislocation loop evolution during in-situ ion irradiation of model FeCrAl alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Haley, Jack C.; Briggs, Samuel A.; Edmondson, Philip D.</p> <p></p> <p>Model FeCrAl alloys of Fe-10%Cr-5%Al, Fe-12%Cr-4.5%Al, Fe-15%Cr-4%Al, and Fe-18%Cr-3%Al (in wt %) were irradiated with 1 MeV Kr++ ions in-situ with transmission electron microscopy to a dose of 2.5 displacements per atom (dpa) at 320 °C. In all cases, the microstructural damage consisted of dislocation loops with ½< 111 > and <100 > Burgers vectors. The proportion of ½< 111 > dislocation loops varied from ~50% in the Fe-10%Cr-5%Al model alloy and the Fe-18Cr%-3%Al model alloy to a peak of ~80% in the model Fe-15%Cr-4.5%Al alloy. The dislocation loop volume density increased with dose for all alloys and showed signsmore » of approaching an upper limit. The total loop populations at 2.5 dpa had a slight (and possibly insignificant) decline as the chromium content was increased from 10 to 15 wt %, but the Fe-18%Cr-3%Al alloy had a dislocation loop population ~50% smaller than the other model alloys. As a result, the largest dislocation loops in each alloy had image sizes of close to 20 nm in the micrographs, and the median diameters for all alloys ranged from 6 to 8 nm. Nature analysis by the inside-outside method indicated most dislocation loops were interstitial type.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1376391-dislocation-loop-evolution-during-situ-ion-irradiation-model-fecral-alloys','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1376391-dislocation-loop-evolution-during-situ-ion-irradiation-model-fecral-alloys"><span>Dislocation loop evolution during in-situ ion irradiation of model FeCrAl alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Haley, Jack C.; Briggs, Samuel A.; Edmondson, Philip D.; ...</p> <p>2017-07-06</p> <p>Model FeCrAl alloys of Fe-10%Cr-5%Al, Fe-12%Cr-4.5%Al, Fe-15%Cr-4%Al, and Fe-18%Cr-3%Al (in wt %) were irradiated with 1 MeV Kr++ ions in-situ with transmission electron microscopy to a dose of 2.5 displacements per atom (dpa) at 320 °C. In all cases, the microstructural damage consisted of dislocation loops with ½< 111 > and <100 > Burgers vectors. The proportion of ½< 111 > dislocation loops varied from ~50% in the Fe-10%Cr-5%Al model alloy and the Fe-18Cr%-3%Al model alloy to a peak of ~80% in the model Fe-15%Cr-4.5%Al alloy. The dislocation loop volume density increased with dose for all alloys and showed signsmore » of approaching an upper limit. The total loop populations at 2.5 dpa had a slight (and possibly insignificant) decline as the chromium content was increased from 10 to 15 wt %, but the Fe-18%Cr-3%Al alloy had a dislocation loop population ~50% smaller than the other model alloys. As a result, the largest dislocation loops in each alloy had image sizes of close to 20 nm in the micrographs, and the median diameters for all alloys ranged from 6 to 8 nm. Nature analysis by the inside-outside method indicated most dislocation loops were interstitial type.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/20930008','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/20930008"><span>Monitoring asthma control in children with allergies by soft computing of lung function and exhaled nitric oxide.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Pifferi, Massimo; Bush, Andrew; Pioggia, Giovanni; Di Cicco, Maria; Chinellato, Iolanda; Bodini, Alessandro; Macchia, Pierantonio; Boner, Attilio L</p> <p>2011-02-01</p> <p>Asthma control is emphasized by new guidelines but remains poor in many children. Evaluation of control relies on subjective patient recall and may be overestimated by health-care professionals. This study assessed the value of spirometry and fractional exhaled nitric oxide (FeNO) measurements, used alone or in combination, in models developed by a machine learning approach in the objective classification of asthma control according to Global Initiative for Asthma guidelines and tested the model in a second group of children with asthma. Fifty-three children with persistent atopic asthma underwent two to six evaluations of asthma control, including spirometry and FeNO. Soft computing evaluation was performed by means of artificial neural networks and principal component analysis. The model was then tested in a cross-sectional study in an additional 77 children with allergic asthma. The machine learning method was not able to distinguish different levels of control using either spirometry or FeNO values alone. However, their use in combination modeled by soft computing was able to discriminate levels of asthma control. In particular, the model is able to recognize all children with uncontrolled asthma and correctly identify 99.0% of children with totally controlled asthma. In the cross-sectional study, the model prospectively identified correctly all the uncontrolled children and 79.6% of the controlled children. Soft computing analysis of spirometry and FeNO allows objective categorization of asthma control status.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26488197','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26488197"><span>[NiFeSe]-hydrogenase chemistry.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wombwell, Claire; Caputo, Christine A; Reisner, Erwin</p> <p>2015-11-17</p> <p>The development of technology for the inexpensive generation of the renewable energy vector H2 through water splitting is of immediate economic, ecological, and humanitarian interest. Recent interest in hydrogenases has been fueled by their exceptionally high catalytic rates for H2 production at a marginal overpotential, which is presently only matched by the nonscalable noble metal platinum. The mechanistic understanding of hydrogenase function guides the design of synthetic catalysts, and selection of a suitable hydrogenase enables direct applications in electro- and photocatalysis. [FeFe]-hydrogenases display excellent H2 evolution activity, but they are irreversibly damaged upon exposure to O2, which currently prevents their use in full water splitting systems. O2-tolerant [NiFe]-hydrogenases are known, but they are typically strongly biased toward H2 oxidation, while H2 production by [NiFe]-hydrogenases is often product (H2) inhibited. [NiFeSe]-hydrogenases are a subclass of [NiFe]-hydrogenases with a selenocysteine residue coordinated to the active site nickel center in place of a cysteine. They exhibit a combination of unique properties that are highly advantageous for applications in water splitting compared with other hydrogenases. They display a high H2 evolution rate with marginal inhibition by H2 and tolerance to O2. [NiFeSe]-hydrogenases are therefore one of the most active molecular H2 evolution catalysts applicable in water splitting. Herein, we summarize our recent progress in exploring the unique chemistry of [NiFeSe]-hydrogenases through biomimetic model chemistry and the chemistry with [NiFeSe]-hydrogenases in semiartificial photosynthetic systems. We gain perspective from the structural, spectroscopic, and electrochemical properties of the [NiFeSe]-hydrogenases and compare them with the chemistry of synthetic models of this hydrogenase active site. Our synthetic models give insight into the effects on the electronic properties and reactivity of the active site upon the introduction of selenium. We have utilized the exceptional properties of the [NiFeSe]-hydrogenase from Desulfomicrobium baculatum in a number of photocatalytic H2 production schemes, which are benchmark systems in terms of single site activity, tolerance toward O2, and in vitro water splitting with biological molecules. Each system comprises a light-harvesting component, which allows for light-driven electron transfer to the hydrogenase in order for it to catalyze H2 production. A system with [NiFeSe]-hydrogenase on a dye-sensitized TiO2 nanoparticle gives an enzyme-semiconductor hybrid for visible light-driven generation of H2 with an enzyme-based turnover frequency of 50 s(-1). A stable and inexpensive polymeric carbon nitride as a photosensitizer in combination with the [NiFeSe]-hydrogenase shows good activity for more than 2 days. Light-driven H2 evolution with the enzyme and an organic dye under high O2 levels demonstrates the excellent robustness and feasibility of water splitting with a hydrogenase-based scheme. This has led, most recently, to the development of a light-driven full water splitting system with a [NiFeSe]-hydrogenase wired to the water oxidation enzyme photosystem II in a photoelectrochemical cell. In contrast to the other systems, this photoelectrochemical system does not rely on a sacrificial electron donor and allowed us to establish the long sought after light-driven water splitting with an isolated hydrogenase.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22308982-iron-boron-pairing-kinetics-illuminated-type-boron-phosphorus-co-doped-type-silicon','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22308982-iron-boron-pairing-kinetics-illuminated-type-boron-phosphorus-co-doped-type-silicon"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Möller, Christian, E-mail: cmoeller@cismst.de; TU Ilmenau, Institut für Physik, Weimarer Str. 32, 98693 Ilmenau; Bartel, Til</p> <p></p> <p>Iron-boron (FeB) pairing is observed in the n-type region of a boron and phosphorus co-doped silicon sample which is unexpected from the FeB pair model of Kimerling and Benton. To explain the experimental data, the existing FeB pair model is extended by taking into account the electronic capture and emission rates at the interstitial iron (Fe{sub i}) trap level as a function of the charge carrier densities. According to this model, the charge state of the Fe{sub i} may be charged in n-type making FeB association possible. Further, FeB pair formation during illumination in p-type silicon is investigated. This permitsmore » the determination of the charge carrier density dependent FeB dissociation rate and in consequence allows to determine the acceptor concentration in the co-doped n-type silicon by lifetime measurement.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JIEIC..98..567G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JIEIC..98..567G"><span>Modelling the Peak Elongation of Nylon6 and Fe Powder Based Composite Wire for FDM Feedstock Filament</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Garg, Harish Kumar; Singh, Rupinder</p> <p>2017-10-01</p> <p>In the present work, to increase the application domain of fused deposition modelling (FDM) process, Nylon6-Fe powder based composite wire has been prepared as feed stock filament. Further for smooth functioning of feed stock filament without any change in the hardware and software of the commercial FDM setup, the mechanical properties of the newly prepared composite wire must be comparable/at par to the existing material i.e. ABS, P-430. So, keeping this in consideration; an effort has been made to model the peak elongation of in house developed feedstock filament comprising of Nylon6 and Fe powder (prepared on single screw extrusion process) for commercial FDM setup. The input parameters of single screw extruder (namely: barrel temperature, temperature of the die, speed of the screw, speed of the winding machine) and rheological property of material (melt flow index) has been modelled with peak elongation as the output by using response surface methodology. For validation of model the result of peak elongation obtained from the model equation the comparison was made with the results of actual experimentation which shows the variation of ±1 % only.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012smd..book..357S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012smd..book..357S"><span>Numerical Simulation of the Self-Oscillations of the Vocal Folds and of the Resulting Acoustic Phenomena in the Vocal Tract</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Švancara, P.; Horáček, J.; Švec, J. G.</p> <p></p> <p>The study presents a three-dimensional (3D) finite element (FE) model of the flow-induced self-oscillation of the human vocal folds in interaction with acoustics of simplified vocal tract models. The 3D vocal tract models of the acoustic spaces shaped for simulation of phonation of Czech vowels [a:], [i:] and [u:] were created by converting the data from the magnetic resonance images (MRI). For modelling of the fluid-structure interaction, explicit coupling scheme with separated solvers for fluid and structure domain was utilized. The FE model comprises vocal folds pretension before starting phonation, large deformations of the vocal fold tissue, vocal-fold collisions, fluid-structure interaction, morphing the fluid mesh according to the vocal-fold motion (Arbitrary Lagrangian-Eulerian approach), unsteady viscous compressible airflow described by the Navier-Stokes equations and airflow separation. The developed FE model enables to study the relationship between flow-induced vibrations of the vocal folds and acoustic wave propagation in the vocal tract and can also be used to simulate for example pathological changes in the vocal fold tissue and their influence on the voice production.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1414530-predictive-modeling-crystal-accumulation-high-level-waste-glass-melters-processing-radioactive-waste','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1414530-predictive-modeling-crystal-accumulation-high-level-waste-glass-melters-processing-radioactive-waste"><span>Predictive modeling of crystal accumulation in high-level waste glass melters processing radioactive waste</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Matyáš, Josef; Gervasio, Vivianaluxa; Sannoh, Sulaiman E.</p> <p></p> <p>The effectiveness of HLW vitrification is limited by precipitation/accumulation of spinel crystals [(Fe, Ni, Mn, Zn)(Fe, Cr)2O4] in the glass discharge riser of Joule-heated ceramic melters during idling. These crystals do not affect glass durability; however, if accumulated in thick layer, they can clog the melter and prevent discharge of molten glass into canisters. To address this problem, an empirical model was developed that can predict thicknesses of accumulated layers as a function of glass composition. This model predicts well the accumulation of single crystals and/or small-scale agglomerates, but, excessive agglomeration observed in high-Ni-Fe glass resulted in an under-prediction ofmore » accumulated layers, which gradually worsen over time as an increased number of agglomerates formed. Accumulation rate of ~53.8 ± 3.7 µm/h determined for this glass will result in ~26 mm thick layer in 20 days of melter idling.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23930772','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23930772"><span>Cross-sectional neck response of a total human body FE model during simulated frontal and side automobile impacts.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>White, Nicholas A; Moreno, Daniel P; Gayzik, F Scott; Stitzel, Joel D</p> <p>2015-01-01</p> <p>Human body finite element (FE) models are beginning to play a more prevalent role in the advancement of automotive safety. A methodology has been developed to evaluate neck response at multiple levels in a human body FE model during simulated automotive impacts. Three different impact scenarios were simulated: a frontal impact of a belted driver with airbag deployment, a frontal impact of a belted passenger without airbag deployment and an unbelted side impact sled test. Cross sections were created at each vertebral level of the cervical spine to calculate the force and moment contributions of different anatomical components of the neck. Adjacent level axial force ratios varied between 0.74 and 1.11 and adjacent level bending moment ratios between 0.55 and 1.15. The present technique is ideal for comparing neck forces and moments to existing injury threshold values, calculating injury criteria and for better understanding the biomechanical mechanisms of neck injury and load sharing during sub-injurious and injurious loading.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JNuM..495..322M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JNuM..495..322M"><span>Predictive modeling of crystal accumulation in high-level waste glass melters processing radioactive waste</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Matyáš, Josef; Gervasio, Vivianaluxa; Sannoh, Sulaiman E.; Kruger, Albert A.</p> <p>2017-11-01</p> <p>The effectiveness of high-level waste vitrification at Hanford's Waste Treatment and Immobilization Plant may be limited by precipitation/accumulation of spinel crystals [(Fe, Ni, Mn, Zn)(Fe, Cr)2O4] in the glass discharge riser of Joule-heated ceramic melters during idling. These crystals do not affect glass durability; however, if accumulated in thick layers, they can clog the melter and prevent discharge of molten glass into canisters. To address this problem, an empirical model was developed that can predict thicknesses of accumulated layers as a function of glass composition. This model predicts well the accumulation of single crystals and/or small-scale agglomerates, but excessive agglomeration observed in high-Ni-Fe glass resulted in an underprediction of accumulated layers, which gradually worsened over time as an increased number of agglomerates formed. The accumulation rate of ∼53.8 ± 3.7 μm/h determined for this glass will result in a ∼26 mm-thick layer after 20 days of melter idling.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3693461','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3693461"><span>A mesoscopic bridging scale method for fluids and coupling dissipative particle dynamics with continuum finite element method</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Kojic, Milos; Filipovic, Nenad; Tsuda, Akira</p> <p>2012-01-01</p> <p>A multiscale procedure to couple a mesoscale discrete particle model and a macroscale continuum model of incompressible fluid flow is proposed in this study. We call this procedure the mesoscopic bridging scale (MBS) method since it is developed on the basis of the bridging scale method for coupling molecular dynamics and finite element models [G.J. Wagner, W.K. Liu, Coupling of atomistic and continuum simulations using a bridging scale decomposition, J. Comput. Phys. 190 (2003) 249–274]. We derive the governing equations of the MBS method and show that the differential equations of motion of the mesoscale discrete particle model and finite element (FE) model are only coupled through the force terms. Based on this coupling, we express the finite element equations which rely on the Navier–Stokes and continuity equations, in a way that the internal nodal FE forces are evaluated using viscous stresses from the mesoscale model. The dissipative particle dynamics (DPD) method for the discrete particle mesoscale model is employed. The entire fluid domain is divided into a local domain and a global domain. Fluid flow in the local domain is modeled with both DPD and FE method, while fluid flow in the global domain is modeled by the FE method only. The MBS method is suitable for modeling complex (colloidal) fluid flows, where continuum methods are sufficiently accurate only in the large fluid domain, while small, local regions of particular interest require detailed modeling by mesoscopic discrete particles. Solved examples – simple Poiseuille and driven cavity flows illustrate the applicability of the proposed MBS method. PMID:23814322</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li class="active"><span>15</span></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_15 --> <div id="page_16" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li class="active"><span>16</span></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="301"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28070866','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28070866"><span>Finite Element Analysis of Patient-Specific Mitral Valve with Mitral Regurgitation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Pham, Thuy; Kong, Fanwei; Martin, Caitlin; Wang, Qian; Primiano, Charles; McKay, Raymond; Elefteriades, John; Sun, Wei</p> <p>2017-03-01</p> <p>Functional mitral regurgitation (FMR) is a significant complication of left ventricular dysfunction and strongly associated with a poor prognosis. In this study, we developed a patient-specific finite element (FE) model of the mitral apparatus in a FMR patient which included: both leaflets with thickness, annulus, chordae tendineae, and chordae insertions on the leaflets and origins on the papillary muscles. The FE model incorporated human age- and gender-matched anisotropic hyperelastic material properties, and MV closure at systole was simulated. The model was validated by comparing the FE results from valve closure simulation with the in vivo geometry of the MV at systole. It was found that the FE model could not replicate the in vivo MV geometry without the application of tethering pre-tension force in the chordae at diastole. Upon applying the pre-tension force and performing model optimization by adjusting the chordal length, position, and leaflet length, a good agreement between the FE model and the in vivo model was established. Not only were the chordal forces high at both diastole and systole, but the tethering force on the anterior papillary muscle was higher than that of the posterior papillary muscle, which resulted in an asymmetrical gap with a larger orifice area at the anterolateral commissure resulting in MR. The analyses further show that high peak stress and strain were found at the chordal insertions where large chordal tethering forces were found. This study shows that the pre-tension tethering force plays an important role in accurately simulating the MV dynamics in this FMR patient, particularly in quantifying the degree of leaflet coaptation and stress distribution. Due to the complexity of the disease, the patient-specific computational modeling procedure of FMR patients presented should be further evaluated using a large patient cohort. However, this study provides useful insights into the MV biomechanics of a FMR patient, and could serve as a tool to assist in pre-operative planning for MV repair or replacement surgical or interventional procedures.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28584973','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28584973"><span>From single muscle fiber to whole muscle mechanics: a finite element model of a muscle bundle with fast and slow fibers.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Marcucci, Lorenzo; Reggiani, Carlo; Natali, Arturo N; Pavan, Piero G</p> <p>2017-12-01</p> <p>Muscles exhibit highly complex, multi-scale architecture with thousands of muscle fibers, each with different properties, interacting with each other and surrounding connective structures. Consequently, the results of single-fiber experiments are scarcely linked to the macroscopic or whole muscle behavior. This is especially true for human muscles where it would be important to understand of how skeletal muscles disorders affect patients' life. In this work, we developed a mathematical model to study how fast and slow muscle fibers, well characterized in single-fiber experiments, work and generate together force and displacement in muscle bundles. We characterized the parameters of a Hill-type model, using experimental data on fast and slow single human muscle fibers, and comparing experimental data with numerical simulations obtained from finite element (FE) models of single fibers. Then, we developed a FE model of a bundle of 19 fibers, based on an immunohistochemically stained cross section of human diaphragm and including the corresponding properties of each slow or fast fiber. Simulations of isotonic contractions of the bundle model allowed the generation of its apparent force-velocity relationship. Although close to the average of the force-velocity curves of fast and slow fibers, the bundle curve deviates substantially toward the fast fibers at low loads. We believe that the present model and the characterization of the force-velocity curve of a fiber bundle represents the starting point to link the single-fiber properties to those of whole muscle with FE application in phenomenological models of human muscles.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1253237','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1253237"><span>Evaluation on the Effect of Composition on Radiation Hardening and Embrittlement in Model FeCrAl Alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Field, Kevin G.; Briggs, Samuel A.; Edmondson, Philip</p> <p>2015-09-18</p> <p>This report details the findings of post-radiation mechanical testing and microstructural characterization performed on a series of model and commercial FeCrAl alloys to assist with the development of a cladding technology with enhanced accident tolerance. The samples investigated include model alloys with simple ferritic grain structure and two commercial alloys with minor solute additions. These samples were irradiated in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) up to nominal doses of 7.0 dpa near or at Light Water Reactor (LWR) relevant temperatures (300-400 C). Characterization included a suite of techniques including small angle neutron scatteringmore » (SANS), atom probe tomography (APT), and transmission based electron microscopy techniques. Mechanical testing included tensile tests at room temperature on sub-sized tensile specimens. The goal of this work was to conduct detailed characterization and mechanical testing to begin establishing empirical and/or theoretical structure-property relationships for radiation-induced hardening and embrittlement in the FeCrAl alloy class. Development of such relationships will provide insight on the performance of FeCrAl alloys in an irradiation environment and will enable further development of the alloy class for applications within a LWR environment. A particular focus was made on establishing trends, including composition and radiation dose. The report highlights in detail the pertinent findings based on this work. This report shows that radiation hardening in the alloys is primarily composition dependent due to the phase separation in the high-Cr FeCrAl alloys. Other radiation induced/enhanced microstructural features were less dependent on composition and when observed at low number densities, were not a significant contributor to the observed mechanical responses. Pre-existing microstructure in the alloys was found to be important, with grain boundaries and pre-existing dislocation networks acting as defect sinks, resulting in variations in the observed microstructures after irradiation. Dose trends were also observed, with increasing radiation dose promoting changes in the size and number density of the Cr-rich α' precipitates. Based on the microstructural analysis, performed tensile testing, and prior knowledge from FeCr literature it was hypothesized that the formation of the Cr-rich α' precipitates could lead to significant radiation-induced embrittlement in the alloys, and this could be composition dependent, a result which would mirror the trends observed for radiation-induced hardening. Due to the limited database on embrittlement in the FeCrAl alloy class after irradiation, a series of radiation experiments have been implemented. The overarching point of view within this report is the radiation tolerance of FeCrAl is complex, with many mechanisms and factors to be considered at once. Further development of the FeCrAl alloy class for enhanced accident tolerant applications requires detailed, single (or at least limited) variable experiments to fully comprehend and predict the performance of this alloy in LWRs. This report has been submitted as fulfillment of milestone M2FT-15OR0202321 titled, Summary report on the effect of composition on the irradiation embrittlement of Gen 1 ATF FeCrAl for the Department of Energy Office of Nuclear Energy, Advanced Fuel Campaign of the Fuel Cycle R&D program.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1400210-neutron-cross-section-sensitivity-uncertainty-analysis-candidate-accident-tolerant-fuel-concepts','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1400210-neutron-cross-section-sensitivity-uncertainty-analysis-candidate-accident-tolerant-fuel-concepts"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Brown, Nicholas; Burns, Joseph R.</p> <p></p> <p>The aftermath of the Tōhoku earthquake and the Fukushima accident has led to a global push to improve the safety of existing light water reactors. A key component of this initiative is the development of nuclear fuel and cladding materials with potentially enhanced accident tolerance, also known as accident-tolerant fuels (ATF). These materials are intended to improve core fuel and cladding integrity under beyond design basis accident conditions while maintaining or enhancing reactor performance and safety characteristics during normal operation. To complement research that has already been carried out to characterize ATF neutronics, the present study provides an initial investigationmore » of the sensitivity and uncertainty of ATF systems responses to nuclear cross section data. ATF concepts incorporate novel materials, including SiC and FeCrAl cladding and high density uranium silicide composite fuels, in turn introducing new cross section sensitivities and uncertainties which may behave differently from traditional fuel and cladding materials. In this paper, we conducted sensitivity and uncertainty analysis using the TSUNAMI-2D sequence of SCALE with infinite lattice models of ATF assemblies. Of all the ATF materials considered, it is found that radiative capture in 56Fe in FeCrAl cladding is the most significant contributor to eigenvalue uncertainty. 56Fe yields significant potential eigenvalue uncertainty associated with its radiative capture cross section; this is by far the largest ATF-specific uncertainty found in these cases, exceeding even those of uranium. We found that while significant new sensitivities indeed arise, the general sensitivity behavior of ATF assemblies does not markedly differ from traditional UO2/zirconium-based fuel/cladding systems, especially with regard to uncertainties associated with uranium. We assessed the similarity of the IPEN/MB-01 reactor benchmark model to application models with FeCrAl cladding. We used TSUNAMI-IP to calculate similarity indices of the application model and IPEN/MB-01 reactor benchmark model. This benchmark was selected for its use of SS304 as a cladding and structural material, with significant 56Fe content. The similarity indices suggest that while many differences in reactor physics arise from differences in design, sensitivity to and behavior of 56Fe absorption is comparable between systems, thus indicating the potential for this benchmark to reduce uncertainties in 56Fe radiative capture cross sections.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MNRAS.472..361R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MNRAS.472..361R"><span>The puzzling interpretation of NIR indices: The case of NaI2.21</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Röck, B.; Vazdekis, A.; La Barbera, F.; Peletier, R. F.; Knapen, J. H.; Allende-Prieto, C.; Aguado, D. S.</p> <p>2017-11-01</p> <p>We present a detailed study of the Na I line strength index centred in the K band at 22 100 Å (NaI2.21 hereafter) relying on different samples of early-type galaxies. Consistent with previous studies, we find that the observed line strength indices cannot be fit by state-of-the-art scaled-solar stellar population models, even using our newly developed models in the near infrared (NIR). The models clearly underestimate the large NaI2.21 values measured for most early-type galaxies. However, we develop an Na-enhanced version of our newly developed models in the NIR, which - together with the effect of a bottom-heavy initial mass function - yield NaI2.21 indices in the range of the observations. Therefore, we suggest a scenario in which the combined effect of [Na/Fe] enhancement and a bottom-heavy initial mass function are mainly responsible for the large NaI2.21 indices observed for most early-type galaxies. To a smaller extent, also [C/Fe] enhancement might contribute to the large observed NaI2.21 values.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/950635','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/950635"><span>Critical Issues on Materials for Gen-IV Reactors</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Caro, M; Marian, J; Martinez, E</p> <p>2009-02-27</p> <p>Within the LDRD on 'Critical Issues on Materials for Gen-IV Reactors' basic thermodynamics of the Fe-Cr alloy and accurate atomistic modeling were used to help develop the capability to predict hardening, swelling and embrittlement using the paradigm of Multiscale Materials Modeling. Approaches at atomistic and mesoscale levels were linked to build-up the first steps in an integrated modeling platform that seeks to relate in a near-term effort dislocation dynamics to polycrystal plasticity. The requirements originated in the reactor systems under consideration today for future sources of nuclear energy. These requirements are beyond the present day performance of nuclear materials andmore » calls for the development of new, high temperature, radiation resistant materials. Fe-Cr alloys with 9-12% Cr content are the base matrix of advanced ferritic/martensitic (FM) steels envisaged as fuel cladding and structural components of Gen-IV reactors. Predictive tools are needed to calculate structural and mechanical properties of these steels. This project represents a contribution in that direction. The synergy between the continuous progress of parallel computing and the spectacular advances in the theoretical framework that describes materials have lead to a significant advance in our comprehension of materials properties and their mechanical behavior. We took this progress to our advantage and within this LDRD were able to provide a detailed physical understanding of iron-chromium alloys microstructural behavior. By combining ab-initio simulations, many-body interatomic potential development, and mesoscale dislocation dynamics we were able to describe their microstructure evolution. For the first time in the case of Fe-Cr alloys, atomistic and mesoscale were merged and the first steps taken towards incorporating ordering and precipitation effects into dislocation dynamics (DD) simulations. Molecular dynamics (MD) studies of the transport of self-interstitial, vacancy and point defect clusters in concentrated Fe-Cr alloys were performed for future diffusion data calculations. A recently developed parallel MC code with displacement allowed us to predict the evolution of the defect microstructures, local chemistry changes, grain boundary segregation and precipitation resulting from radiation enhanced diffusion. We showed that grain boundaries, dislocations and free surfaces are not preferential for alpha-prime precipitation, and explained experimental observations of short-range order (SRO) in Fe-rich FeCr alloys. Our atomistic studies of dislocation hardening allowed us to obtain dislocation mobility functions for BCC pure iron and Fe-Cr and determine for FCC metals the dislocation interaction with precipitates with a description to be used in Dislocation Dynamic (DD) codes. A Synchronous parallel Kinetic Monte Carlo code was developed and tested which promises to expand the range of applicability of kMC simulations. This LDRD furthered the limits of the available science on the thermodynamic and mechanic behavior of metallic alloys and extended the application of physically-based multiscale materials modeling to cases of severe temperature and neutron fluence conditions in advanced future nuclear reactors. The report is organized as follows: after a brief introduction, we present the research activities, and results obtained. We give recommendations on future LLNL activities that may contribute to the progress in this area, together with examples of possible research lines to be supported.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3010399','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3010399"><span>Role of the Azadithiolate Cofactor in Models for the [FeFe]-Hydrogenase: Novel Structures and Catalytic Implications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Olsen, Matthew T.; Rauchfuss, Thomas B.; Wilson, Scott R.</p> <p>2010-01-01</p> <p>The report summarizes studies on the redox behavior of synthetic models for the [FeFe]-hydrogenases, consisting of diiron dithiolato carbonyl complexes bearing the amine cofactor and its N-benzyl derivative. Of specific interest are the causes of the low reactivity of oxidized models toward H2, which contrasts with the high activity of these enzymes for H2 oxidation. The redox and acid-base properties of the model complexes [Fe2[(SCH2)2NR](CO)3(dppv)(PMe3)]+ ([2]+ for R = H and [2′]+ for R = CH2C6H5, dppv = cis-1,2-bis(diphenylphosphino)ethylene)) indicate that addition of H2 and followed by deprotonation are (i) endothermic for the mixed valence (FeIIFeI) state and (ii) exothermic for the diferrous (FeIIFeII) state. The diferrous state is shown to be unstable with respect to coordination of the amine to Fe, a derivative of which was characterized crystallographically. The redox and acid-base properties for the mixed valence models differ strongly for those containing the amine cofactor versus those derived from propanedithiolate. Protonation of [2′]+ induces disproportionation to a 1:1 mixture of the ammonium-FeIFeI and the dication [2′]2+ (FeIIFeII). This effect is consistent with substantial enhancement of the basicity of the amine in the FeIFeI state vs the FeIIFeI state. The FeIFeI ammonium compounds are rapid and efficient H-atom donors toward the nitroxyl compound TEMPO. The atom transfer is proposed to proceed via the hydride, as indicated by the reaction of [HFe2[(SCH2)2NH](CO)2(dppv)2]+ with TEMPO. Collectively, the results suggest that proton-coupled electron-transfer pathways should be considered for H2 activation by the [FeFe]-hydrogenases. PMID:21114298</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25085863','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25085863"><span>Head and neck response of a finite element anthropomorphic test device and human body model during a simulated rotary-wing aircraft impact.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>White, Nicholas A; Danelson, Kerry A; Gayzik, F Scott; Stitzel, Joel D</p> <p>2014-11-01</p> <p>A finite element (FE) simulation environment has been developed to investigate aviator head and neck response during a simulated rotary-wing aircraft impact using both an FE anthropomorphic test device (ATD) and an FE human body model. The head and neck response of the ATD simulation was successfully validated against an experimental sled test. The majority of the head and neck transducer time histories received a CORrelation and analysis (CORA) rating of 0.7 or higher, indicating good overall correlation. The human body model simulation produced a more biofidelic head and neck response than the ATD experimental test and simulation, including change in neck curvature. While only the upper and lower neck loading can be measured in the ATD, the shear force, axial force, and bending moment were reported for each level of the cervical spine in the human body model using a novel technique involving cross sections. This loading distribution provides further insight into the biomechanical response of the neck during a rotary-wing aircraft impact.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5851615','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5851615"><span>Numerical stress analysis of the iris tissue induced by pupil expansion: Comparison of commercial devices</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Wang, Xiaofei; Perera, Shamira A.; Girard, Michaël J. A.</p> <p>2018-01-01</p> <p>Purpose (1) To use finite element (FE) modelling to estimate local iris stresses (i.e. internal forces) as a result of mechanical pupil expansion; and to (2) compare such stresses as generated from several commercially available expanders (Iris hooks, APX dilator and Malyugin ring) to determine which design and deployment method are most likely to cause iris damage. Methods We used a biofidelic 3-part iris FE model that consisted of the stroma, sphincter and dilator muscles. Our FE model simulated expansion of the pupil from 3 mm to a maximum of 6 mm using the aforementioned pupil expanders, with uniform circular expansion used for baseline comparison. FE-derived stresses, resultant forces and area of final pupil opening were compared across devices for analysis. Results Our FE models demonstrated that the APX dilator generated the highest stresses on the sphincter muscles, (max: 6.446 MPa; average: 5.112 MPa), followed by the iris hooks (max: 5.680 MPa; average: 5.219 MPa), and the Malyugin ring (max: 2.144 MPa; average: 1.575 MPa). Uniform expansion generated the lowest stresses (max: 0.435MPa; average: 0.377 MPa). For pupil expansion, the APX dilator required the highest force (41.22 mN), followed by iris hooks (40.82 mN) and the Malyugin ring (18.56 mN). Conclusion Our study predicted that current pupil expanders exert significantly higher amount of stresses and forces than required during pupil expansion. Our work may serve as a guide for the development and design of next-generation pupil expanders. PMID:29538452</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3503420','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3503420"><span>Predicting Rib Fracture Risk With Whole-Body Finite Element Models: Development and Preliminary Evaluation of a Probabilistic Analytical Framework</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Forman, Jason L.; Kent, Richard W.; Mroz, Krystoffer; Pipkorn, Bengt; Bostrom, Ola; Segui-Gomez, Maria</p> <p>2012-01-01</p> <p>This study sought to develop a strain-based probabilistic method to predict rib fracture risk with whole-body finite element (FE) models, and to describe a method to combine the results with collision exposure information to predict injury risk and potential intervention effectiveness in the field. An age-adjusted ultimate strain distribution was used to estimate local rib fracture probabilities within an FE model. These local probabilities were combined to predict injury risk and severity within the whole ribcage. The ultimate strain distribution was developed from a literature dataset of 133 tests. Frontal collision simulations were performed with the THUMS (Total HUman Model for Safety) model with four levels of delta-V and two restraints: a standard 3-point belt and a progressive 3.5–7 kN force-limited, pretensioned (FL+PT) belt. The results of three simulations (29 km/h standard, 48 km/h standard, and 48 km/h FL+PT) were compared to matched cadaver sled tests. The numbers of fractures predicted for the comparison cases were consistent with those observed experimentally. Combining these results with field exposure informantion (ΔV, NASS-CDS 1992–2002) suggests a 8.9% probability of incurring AIS3+ rib fractures for a 60 year-old restrained by a standard belt in a tow-away frontal collision with this restraint, vehicle, and occupant configuration, compared to 4.6% for the FL+PT belt. This is the first study to describe a probabilistic framework to predict rib fracture risk based on strains observed in human-body FE models. Using this analytical framework, future efforts may incorporate additional subject or collision factors for multi-variable probabilistic injury prediction. PMID:23169122</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1330623','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1330623"><span>2016 KIVA-hpFE Development: A Robust and Accurate Engine Modeling Software</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Carrington, David Bradley; Waters, Jiajia</p> <p></p> <p>Los Alamos National Laboratory and its collaborators are facilitating engine modeling by improving accuracy and robustness of the modeling, and improving the robustness of software. We also continue to improve the physical modeling methods. We are developing and implementing new mathematical algorithms, those that represent the physics within an engine. We provide software that others may use directly or that they may alter with various models e.g., sophisticated chemical kinetics, different turbulent closure methods or other fuel injection and spray systems.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26833355','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26833355"><span>Anisotropic Multishell Analytical Modeling of an Intervertebral Disk Subjected to Axial Compression.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Demers, Sébastien; Nadeau, Sylvie; Bouzid, Abdel-Hakim</p> <p>2016-04-01</p> <p>Studies on intervertebral disk (IVD) response to various loads and postures are essential to understand disk's mechanical functions and to suggest preventive and corrective actions in the workplace. The experimental and finite-element (FE) approaches are well-suited for these studies, but validating their findings is difficult, partly due to the lack of alternative methods. Analytical modeling could allow methodological triangulation and help validation of FE models. This paper presents an analytical method based on thin-shell, beam-on-elastic-foundation and composite materials theories to evaluate the stresses in the anulus fibrosus (AF) of an axisymmetric disk composed of multiple thin lamellae. Large deformations of the soft tissues are accounted for using an iterative method and the anisotropic material properties are derived from a published biaxial experiment. The results are compared to those obtained by FE modeling. The results demonstrate the capability of the analytical model to evaluate the stresses at any location of the simplified AF. It also demonstrates that anisotropy reduces stresses in the lamellae. This novel model is a preliminary step in developing valuable analytical models of IVDs, and represents a distinctive groundwork that is able to sustain future refinements. This paper suggests important features that may be included to improve model realism.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28602094','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28602094"><span>Stochastic Simulation of Isotopic Exchange Mechanisms for Fe(II)-Catalyzed Recrystallization of Goethite.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zarzycki, Piotr; Rosso, Kevin M</p> <p>2017-07-05</p> <p>Understanding Fe(II)-catalyzed transformations of Fe(III)-(oxyhydr)oxides is critical for correctly interpreting stable isotopic distributions and for predicting the fate of metal ions in the environment. Recent Fe isotopic tracer experiments have shown that goethite undergoes rapid recrystallization without phase change when exposed to aqueous Fe(II). The proposed explanation is oxidation of sorbed Fe(II) and reductive Fe(II) release coupled 1:1 by electron conduction through crystallites. Given the availability of two tracer exchange data sets that explore pH and particle size effects (e.g., Handler et al. Environ. Sci. Technol. 2014 , 48 , 11302 - 11311 ; Joshi and Gorski Environ. Sci. Technol. 2016 , 50 , 7315 - 7324 ), we developed a stochastic simulation that exactly mimics these experiments, while imposing the 1:1 constraint. We find that all data can be represented by this model, and unifying mechanistic information emerges. At pH 7.5 a rapid initial exchange is followed by slower exchange, consistent with mixed surface- and diffusion-limited kinetics arising from prominent particle aggregation. At pH 5.0 where aggregation and net Fe(II) sorption are minimal, that exchange is quantitatively proportional to available particle surface area and the density of sorbed Fe(II) is more readily evident. Our analysis reveals a fundamental atom exchange rate of ∼10 -5 Fe nm -2 s -1 , commensurate with some of the reported reductive dissolution rates of goethite, suggesting Fe(II) release is the rate-limiting step in the conduction mechanism during recrystallization.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1379078-ambient-pressure-xps-study-nife-electrocatalyst-oxygen-evolution-reaction','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1379078-ambient-pressure-xps-study-nife-electrocatalyst-oxygen-evolution-reaction"><span>Ambient-Pressure XPS Study of a Ni–Fe Electrocatalyst for the Oxygen Evolution Reaction</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Ali-Löytty, Harri; Louie, Mary W.; Singh, Meenesh R.; ...</p> <p>2016-01-05</p> <p>Chemical analysis of solid–liquid interfaces under electrochemical conditions has recently become feasible due to the development of new synchrotron radiation techniques. In this paper, we report the use of “tender” X-ray ambient-pressure X-ray photoelectron spectroscopy (APXPS) to characterize a thin film of Ni–Fe oxyhydroxide electrodeposited on Au as the working electrode at different applied potentials in 0.1 M KOH as the electrolyte. Our results show that the as-prepared 7 nm thick Ni–Fe (50% Fe) film contains Fe and Ni in both their metallic as well as oxidized states, and undergoes further oxidation when the sample is subjected to electrochemical oxidation–reductionmore » cycles. Metallic Fe is oxidized to Fe 3+ and metallic Ni to Ni 2+/3+. This work shows that it is possible to monitor the chemical nature of the Ni–Fe catalyst as a function of potential when the corresponding current densities are small. This allows for operando measurements just above the onset of OER; however, current densities as they are desired in photoelectrochemical devices (~1–10 mA cm –2) could not be achieved in this work, due to ohmic losses in the thin electrolyte film. We use a two-dimensional model to describe the spatial distribution of the electrochemical potential, current density, and pH as a function of the position above the electrolyte meniscus, to provide guidance toward enabling the acquisition of operando APXPS at high current density. Finally, the shifts in binding energy of water with applied potential predicted by the model are in good agreement with the experimental values.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1327149-low-activation-joining-sic-sic-composites-fusion-applications-modeling-dual-phase-microstructures-dissimilar-material-joints','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1327149-low-activation-joining-sic-sic-composites-fusion-applications-modeling-dual-phase-microstructures-dissimilar-material-joints"><span>LOW ACTIVATION JOINING OF SIC/SIC COMPOSITES FOR FUSION APPLICATIONS: MODELING DUAL-PHASE MICROSTRUCTURES AND DISSIMILAR MATERIAL JOINTS</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Henager, Charles H.; Nguyen, Ba Nghiep; Kurtz, Richard J.</p> <p>2016-03-31</p> <p>Finite element continuum damage models (FE-CDM) have been developed to simulate and model dual-phase joints and cracked joints for improved analysis of SiC materials in nuclear environments. This report extends the analysis from the last reporting cycle by including results from dual-phase models and from cracked joint models.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29169090','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29169090"><span>Optimization of Fe2+ supplement in anaerobic digestion accounting for the Fe-bioavailability.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cai, Yafan; Zhao, Xiaoling; Zhao, Yubin; Wang, Hongliang; Yuan, Xufeng; Zhu, Wanbin; Cui, Zongjun; Wang, Xiaofen</p> <p>2018-02-01</p> <p>Fe is widely used as an additive in anaerobic digestion, but its bioavailability and the mechanism by which it enhances digestion are unclear. In this study, sequential extraction was used to measure Fe bioavailability, while biochemical parameters, kinetics model and Q-PCR (fluorescence quantitative PCR) were used to explore its mechanism of stimulation. The results showed that sequential extraction is a suitable method to assess the anaerobic system bioavailability of Fe, which is low and fluctuates to a limited extent (1.7 to -3.1wt%), indicating that it would be easy for Fe levels to be insufficient. Methane yield increased when the added Fe 2+ was 10-500mg/L. Appropriate amounts of Fe 2+ accelerated the decomposition of rice straw and facilitated methanogen metabolism, thereby improving reactor performance. The modified Gompertz model better fitted the results than the first-order kinetic model. Feasibility analysis showed that addition of Fe 2+ at ≤50mg/L was suitable. Copyright © 2017. Published by Elsevier Ltd.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JAP...121i5702Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JAP...121i5702Y"><span>Coupled modeling of the competitive gettering of transition metals and impact on performance of lifetime sensitive devices</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yazdani, Armin; Chen, Renyu; Dunham, Scott T.</p> <p>2017-03-01</p> <p>This work models competitive gettering of metals (Cu, Ni, Fe, Mo, and W) by boron, phosphorus, and dislocation loops, and connects those results directly to device performance. Density functional theory calculations were first performed to determine the binding energies of metals to the gettering sites, and based on that, continuum models were developed to model the redistribution and trapping of the metals. Our models found that Fe is most strongly trapped by the dislocation loops while Cu and Ni are most strongly trapped by the P4V clusters formed in high phosphorus concentrations. In addition, it is found that none of the mentioned gettering sites are effective in gettering Mo and W. The calculated metal redistribution along with the associated capture cross sections and trap energy levels are passed to device simulation via the recombination models to calculate carrier lifetime and the resulting device performance. Thereby, a comprehensive and predictive TCAD framework is developed to optimize the processing conditions to maximize performance of lifetime sensitive devices.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016RSPTA.37450292M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016RSPTA.37450292M"><span>Southern Ocean biological iron cycling in the pre-whaling and present ecosystems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Maldonado, Maria T.; Surma, Szymon; Pakhomov, Evgeny A.</p> <p>2016-11-01</p> <p>This study aimed to create the first model of biological iron (Fe) cycling in the Southern Ocean food web. Two biomass mass-balanced Ecopath models were built to represent pre- and post-whaling ecosystem states (1900 and 2008). Functional group biomasses (tonnes wet weight km-2) were converted to biogenic Fe pools (kg Fe km-2) using published Fe content ranges. In both models, biogenic Fe pools and consumption in the pelagic Southern Ocean were highest for plankton and small nektonic groups. The production of plankton biomass, particularly unicellular groups, accounted for the highest annual Fe demand. Microzooplankton contributed most to biological Fe recycling, followed by carnivorous zooplankton and krill. Biological Fe recycling matched previous estimates, and, under most conditions, could entirely meet the Fe demand of bacterioplankton and phytoplankton. Iron recycling by large baleen whales was reduced 10-fold by whaling between 1900 and 2008. However, even under the 1900 scenario, the contribution of whales to biological Fe recycling was negligible compared with that of planktonic consumers. These models are a first step in examining oceanic-scale biological Fe cycling, highlighting gaps in our present knowledge and key questions for future research on the role of marine food webs in the cycling of trace elements in the sea. This article is part of the themed issue 'Biological and climatic impacts of ocean trace element chemistry'.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4233956','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4233956"><span>Quasi-static image-based immersed boundary-finite element model of left ventricle under diastolic loading</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Gao, Hao; Wang, Huiming; Berry, Colin; Luo, Xiaoyu; Griffith, Boyce E</p> <p>2014-01-01</p> <p>Finite stress and strain analyses of the heart provide insight into the biomechanics of myocardial function and dysfunction. Herein, we describe progress toward dynamic patient-specific models of the left ventricle using an immersed boundary (IB) method with a finite element (FE) structural mechanics model. We use a structure-based hyperelastic strain-energy function to describe the passive mechanics of the ventricular myocardium, a realistic anatomical geometry reconstructed from clinical magnetic resonance images of a healthy human heart, and a rule-based fiber architecture. Numerical predictions of this IB/FE model are compared with results obtained by a commercial FE solver. We demonstrate that the IB/FE model yields results that are in good agreement with those of the conventional FE model under diastolic loading conditions, and the predictions of the LV model using either numerical method are shown to be consistent with previous computational and experimental data. These results are among the first to analyze the stress and strain predictions of IB models of ventricular mechanics, and they serve both to verify the IB/FE simulation framework and to validate the IB/FE model. Moreover, this work represents an important step toward using such models for fully dynamic fluid–structure interaction simulations of the heart. © 2014 The Authors. International Journal for Numerical Methods in Engineering published by John Wiley & Sons, Ltd. PMID:24799090</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JNuM..461..282H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JNuM..461..282H"><span>Hydrogen permeation in FeCrAl alloys for LWR cladding application</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Hu, Xunxiang; Terrani, Kurt A.; Wirth, Brian D.; Snead, Lance L.</p> <p>2015-06-01</p> <p>FeCrAl, an advanced oxidation-resistant iron-based alloy class, is a highly prevalent candidate as an accident-tolerant fuel cladding material. Compared with traditional zirconium alloy fuel cladding, increased tritium permeation through FeCrAl fuel cladding to the primary coolant is expected, raising potential safety concerns. In this study, the hydrogen permeability of several FeCrAl alloys was obtained using a static permeation test station, which was calibrated and validated using 304 stainless steel. The high hydrogen permeability of FeCrAl alloys leads to concerns with respect to potentially significant tritium release when used for fuel cladding in LWRs. The total tritium inventory inside the primary coolant of a light water reactor was quantified by applying a 1-dimensional steady state tritium diffusion model to demonstrate the dependence of tritium inventory on fuel cladding type. Furthermore, potential mitigation strategies for tritium release from FeCrAl fuel cladding were discussed and indicate the potential for application of an alumina layer on the inner clad surface to serve as a tritium barrier. More effort is required to develop a robust, economical mitigation strategy for tritium permeation in reactors using FeCrAl clad fuel assemblies.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li class="active"><span>16</span></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_16 --> <div id="page_17" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li class="active"><span>17</span></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="321"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApSS..428..258W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApSS..428..258W"><span>Synthesis and characterization of polymer-coated manganese ferrite nanoparticles as controlled drug delivery</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, Guangshuo; Zhao, Dexing; Ma, Yingying; Zhang, Zhixiao; Che, Hongwei; Mu, Jingbo; Zhang, Xiaoliang; Zhang, Zheng</p> <p>2018-01-01</p> <p>In this study, monodisperse and superparamagnetic manganese ferrite (MnFe2O4) nanoparticles have been synthesized by a one-pot sonochemical method using polyvinylpyrrolidone (PVP) as stabilizer. The as-prepared MnFe2O4 nanoparticles were investigated systematically by TEM, XRD, FTIR, XPS, SQUID and MTT. The TEM observation showed that the PVP-coated MnFe2O4 nanoparticles had uniform dispersion with narrow particle size distribution. The magnetization curves demonstrated superparamagnetic properties of the coated MnFe2O4 nanoparticles with good hydrophilicity at room temperature. The in vitro cytotoxicity experiments exhibited negligible cytotoxicity of the obtained PVP-coated MnFe2O4 nanoparticles even at the high concentration of 150 μg/mL after 24 h treatment. More importantly, anti-cancer model drug of doxorubicin hydrochloride (DOX) was loaded on the surface of MnFe2O4 nanoparticles. The drug loading capacity of the developed nanocarrier reached 0.45 mg/mg and the loaded DOX exhibited interesting pH-dependent release behavior. In conclusion, the as-prepared PVP-coated MnFe2O4 nanoparticles were proposed as a potential candidate for controlled drug delivery.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013MMTA...44.3281P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013MMTA...44.3281P"><span>Computer-Aided Design of Manufacturing Chain Based on Closed Die Forging for Hardly Deformable Cu-Based Alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pietrzyk, Maciej; Kuziak, Roman; Pidvysots'kyy, Valeriy; Nowak, Jarosław; Węglarczyk, Stanisław; Drozdowski, Krzysztof</p> <p>2013-07-01</p> <p>Two copper-based alloys were considered, Cu-1 pct Cr and Cu-0.7 pct Cr-1 pct Si-2 pct Ni. The thermal, electrical, and mechanical properties of these alloys are given in the paper and compared to pure copper and steel. The role of aging and precipitation kinetics in hardening of the alloys is discussed based upon the developed model. Results of plastometric tests performed at various temperatures and various strain rates are presented. The effect of the initial microstructure on the flow stress was investigated. Rheologic models for the alloys were developed. A finite element (FE) model based on the Norton-Hoff visco-plastic flow rule was applied to the simulation of forging of the alloys. Analysis of the die wear for various processes of hot and cold forging is presented as well. A microstructure evolution model was implemented into the FE code, and the microstructure and mechanical properties of final products were predicted. Various variants of the manufacturing cycles were considered. These include different preheating schedules, hot forging, cold forging, and aging. All variants were simulated using the FE method and loads, die filling, tool wear, and mechanical properties of products were predicted. Three variants giving the best combination of forging parameters were selected and industrial trials were performed. The best manufacturing technology for the copper-based alloys is proposed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25072394','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25072394"><span>Thermodynamic controls on the kinetics of microbial low-pH Fe(II) oxidation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Larson, Lance N; Sánchez-España, Javier; Kaley, Bradley; Sheng, Yizhi; Bibby, Kyle; Burgos, William D</p> <p>2014-08-19</p> <p>Acid mine drainage (AMD) is a major worldwide environmental threat to surface and groundwater quality. Microbial low-pH Fe(II) oxidation could be exploited for cost-effective AMD treatment; however, its use is limited because of uncertainties associated with its rate and ability to remove Fe from solution. We developed a thermodynamic-based framework to evaluate the kinetics of low-pH Fe(II) oxidation. We measured the kinetics of low-pH Fe(II) oxidation at five sites in the Appalachian Coal Basin in the US and three sites in the Iberian Pyrite Belt in Spain and found that the fastest rates of Fe(II) oxidation occurred at the sites with the lowest pH values. Thermodynamic calculations showed that the Gibbs free energy of Fe(II) oxidation (ΔG(oxidation)) was also most negative at the sites with the lowest pH values. We then conducted two series of microbial Fe(II) oxidation experiments in laboratory-scale chemostatic bioreactors operated through a series of pH values (2.1-4.2) and found the same relationships between Fe(II) oxidation kinetics, ΔG(oxidation), and pH. Conditions that favored the fastest rates of Fe(II) oxidation coincided with higher Fe(III) solubility. The solubility of Fe(III) minerals, thus plays an important role on Fe(II) oxidation kinetics. Methods to incorporate microbial low-pH Fe(II) oxidation into active and passive AMD treatment systems are discussed in the context of these findings. This study presents a simplified model that describes the relationship between free energy and microbial kinetics and should be broadly applicable to many biogeochemical systems.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013JMoSt1046...74S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013JMoSt1046...74S"><span>Facile one-step synthesis of Ag@Fe3O4 core-shell nanospheres for reproducible SERS substrates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sun, Lijuan; He, Jiang; An, Songsong; Zhang, Junwei; Ren, Dong</p> <p>2013-08-01</p> <p>A facile approach has been developed to synthesize Ag@Fe3O4 core-shell nanospheres, in which the Ag nanoparticle core was well wrapped by a permeable Fe3O4 shell. An in situ reduction of AgNO3 and Fe(NO3)3 was the basis of this one-step method with ethylene glycol as the reducing agent. The as-obtained Ag@Fe3O4 nanospheres were a highly efficient surface-enhanced Raman scattering (SERS) substrate; high reproducibility, stability, and reusability were obtained by employing 4-aminothiophenol (4-ATP) and rhodamine 6G (R6G) as the Raman probe molecules. It was revealed that the SERS signals of 4-ATP and R6G on the Ag@Fe3O4 nanospheres were much stronger than those on the pure Ag nanoparticles, demonstrating that the magnetic enrichment procedures can improve SERS detection sensitivity efficiently. A highly efficient and recyclable SERS substrate was produced by the new model system that has potential applications in chemical and biomolecular assays.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1394347','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1394347"><span>BISON Fuel Performance Analysis of IFA-796 Rod 3 & 4 and Investigation of the Impact of Fuel Creep</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Wirth, Brian; Terrani, Kurt A.; Sweet, Ryan T.</p> <p></p> <p>In order to improve the accident tolerance of light water reactor (LWR) fuel, alternative cladding materials have been proposed to replace the currently used zirconium (Zr)-based alloys. Of these materials, there is a particular focus on iron-chromiumaluminum (FeCrAl) alloys because they exhibit slower oxidation kinetics in high-temperature steam than Zr-alloys. This should decrease the energy release due to oxidation and slow cladding consumption in the presence of high temperature steam. These alloys should also exhibit increased “coping time” in the event of an accident scenario by improving the mechanical performance at high temperatures, allowing greater flexibility to achieve core cooling.more » As a continuation of the development of these alloys, in-reactor irradiation testing of FeCrAl cladded fuel rods has started. In order to provide insight on the possible behavior of these fuel rods as they undergo irradiation in the Halden Boiling Water Reactor, engineering analysis has been performed using FeCrAl material models implemented into the BISON fuel performance code. This milestone report provides an update on the ongoing development of modeling capability to predict FeCrAl cladding fuel performance and to provide an early look at the possible behavior of planned in-reactor FeCrAl cladding experiments. In particular, this report consists of two separate analyses. The first analysis consists of fuel performance simulations of IFA-796 rod 4 and two segments of rod 3. These simulations utilize previously implemented material models for the C35M FeCrAl alloy and UO2 to provide a bounding behavior analysis corresponding to variation of the initial fuel cladding gap thickness within the fuel rod. The second analysis is an assessment of the fuel and cladding stress states after modification of the fuel creep model that is currently implemented in the BISON fuel performance code. Effects from modifying the fuel creep model were identified for the BISON simulations of the IFA-796 rod 4 experiment, but show that varying the creep model (within the range investigated here) only provide a minimal increase in the fuel radius and maximum cladding hoop stress. Continued investigation of fuel behavioral models will include benchmarking the modified fuel creep model against available experimental data, as well as an investigation of the role that fuel cracking will play in the compliance of the fuel. Correctly calculating stress evolution in the fuel is key to assessing fuel behavior up to gap closure and the subsequent deformation of the cladding due to PCMI. The inclusion of frictional contact should also be investigated to determine the axial elongation of the fuel rods for comparison with data from this experiment.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008ApJ...675...83B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008ApJ...675...83B"><span>Modeling Fe II Emission and Revised Fe II (UV) Empirical Templates for the Seyfert 1 Galaxy I Zw 1</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bruhweiler, F.; Verner, E.</p> <p>2008-03-01</p> <p>We use the narrow-lined broad-line region (BLR) of the Seyfert 1 galaxy, I Zw 1, as a laboratory for modeling the ultraviolet (UV) Fe II 2100-3050 Å emission complex. We calculate a grid of Fe II emission spectra representative of BLR clouds and compare them with the observed I Zw 1 spectrum. Our predicted spectrum for log [nH/(cm -3) ] = 11.0, log [ΦH/(cm -2 s-1) ] = 20.5, and ξ/(1 km s-1) = 20, using Cloudy and an 830 level model atom for Fe II with energies up to 14.06 eV, gives a better fit to the UV Fe II emission than models with fewer levels. Our analysis indicates (1) the observed UV Fe II emission must be corrected for an underlying Fe II pseudocontinuum; (2) Fe II emission peaks can be misidentified as that of other ions in active galactic nuclei (AGNs) with narrow-lined BLRs possibly affecting deduced physical parameters; (3) the shape of 4200-4700 Å Fe II emission in I Zw 1 and other AGNs is a relative indicator of narrow-line region (NLR) and BLR Fe II emission; (4) predicted ratios of Lyα, C III], and Fe II emission relative to Mg II λ2800 agree with extinction corrected observed I Zw 1 fluxes, except for C IV λ1549 (5) the sensitivity of Fe II emission strength to microturbulence ξ casts doubt on existing relative Fe/Mg abundances derived from Fe II (UV)/Mg II flux ratios. Our calculated Fe II emission spectra, suitable for BLRs in AGNs, are available at http://iacs.cua.edu/people/verner/FeII. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 05-26555.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017ApJ...847...16B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017ApJ...847...16B"><span>Non-local Thermodynamic Equilibrium Stellar Spectroscopy with 1D and >3D< Models. II. Chemical Properties of the Galactic Metal-poor Disk and the Halo</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bergemann, Maria; Collet, Remo; Schönrich, Ralph; Andrae, Rene; Kovalev, Mikhail; Ruchti, Greg; Hansen, Camilla Juul; Magic, Zazralt</p> <p>2017-09-01</p> <p>From exploratory studies and theoretical expectations it is known that simplifying approximations in spectroscopic analysis (local thermodynamic equilibrium (LTE), 1D) lead to systematic biases of stellar parameters and abundances. These biases depend strongly on surface gravity, temperature and, in particular, for LTE versus non-LTE (NLTE), on metallicity of the stars. Here we analyze the [Mg/Fe] and [Fe/H] plane of a sample of 326 stars, comparing LTE and NLTE results obtained using 1D hydrostatic models and averaged <3D> models. We show that compared to the <3D> NLTE benchmark, the other three methods display increasing biases toward lower metallicities, resulting in false trends of [Mg/Fe] against [Fe/H], which have profound implications for interpretations by chemical evolution models. In our best <3D> NLTE model, the halo and disk stars show a clearer behavior in the [Mg/Fe]-[Fe/H] plane, from the knee in abundance space down to the lowest metallicities. Our sample has a large fraction of thick disk stars and this population extends down to at least [Fe/H] ˜ -1.6 dex, further than previously proven. The thick disk stars display a constant [Mg/Fe] ≈ 0.3 dex, with a small intrinsic dispersion in [Mg/Fe] that suggests that a fast SN Ia channel is not relevant for the disk formation. The halo stars reach higher [Mg/Fe] ratios and display a net trend of [Mg/Fe] at low metallicities, paired with a large dispersion in [Mg/Fe]. These indicate the diverse origin of halo stars from accreted low-mass systems to stochastic/inhomogeneous chemical evolution in the Galactic halo.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4386338','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4386338"><span>Toward a mineral physics reference model for the Moon’s core</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Antonangeli, Daniele; Morard, Guillaume; Schmerr, Nicholas C.; Komabayashi, Tetsuya; Krisch, Michael; Fiquet, Guillaume; Fei, Yingwei</p> <p>2015-01-01</p> <p>The physical properties of iron (Fe) at high pressure and high temperature are crucial for understanding the chemical composition, evolution, and dynamics of planetary interiors. Indeed, the inner structures of the telluric planets all share a similar layered nature: a central metallic core composed mostly of iron, surrounded by a silicate mantle, and a thin, chemically differentiated crust. To date, most studies of iron have focused on the hexagonal closed packed (hcp, or ε) phase, as ε-Fe is likely stable across the pressure and temperature conditions of Earth’s core. However, at the more moderate pressures characteristic of the cores of smaller planetary bodies, such as the Moon, Mercury, or Mars, iron takes on a face-centered cubic (fcc, or γ) structure. Here we present compressional and shear wave sound velocity and density measurements of γ-Fe at high pressures and high temperatures, which are needed to develop accurate seismic models of planetary interiors. Our results indicate that the seismic velocities proposed for the Moon’s inner core by a recent reanalysis of Apollo seismic data are well below those of γ-Fe. Our dataset thus provides strong constraints to seismic models of the lunar core and cores of small telluric planets. This allows us to propose a direct compositional and velocity model for the Moon’s core. PMID:25775531</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1394351','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1394351"><span>Development of Computational Tools for Modeling Thermal and Radiation Effects on Grain Boundary Segregation and Precipitation in Fe-Cr-Ni-based Alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Yang, Ying</p> <p></p> <p>This work aims at developing computational tools for modeling thermal and radiation effects on solute segregation at grain boundaries (GBs) and precipitation. This report described two major efforts. One is the development of computational tools on integrated modeling of thermal equilibrium segregation (TES) and radiation-induced segregation (RIS), from which synergistic effects of thermal and radiation, pre-existing GB segregation have been taken into consideration. This integrated modeling was used in describing the Cr and Ni segregation in the Fe-Cr-Ni alloys. The other effort is thermodynamic modeling on the Fe-Cr-Ni-Mo system which includes the major alloying elements in the investigated alloys inmore » the Advanced Radiation Resistant Materials (ARRM) program. Through thermodynamic calculation, we provide baseline thermodynamic stability of the hardening phase Ni2(Cr,Mo) in selected Ni-based super alloys, and contribute knowledge on mechanistic understanding on the formation of Ni2(Cr,Mo) in the irradiated materials. The major outcomes from this work are listed in the following: 1) Under the simultaneous thermal and irradiation conditions, radiation-induced segregation played a dominant role in the GB segregation. The pre-existing GB segregation only affects the subsequent radiation-induced segregation in the short time. For the same element, the segregation tendency of Cr and Ni due to TES is opposite to it from RIS. The opposite tendency can lead to the formation of W-shape profile. These findings are consistent with literature observation of the transitory W-shape profile. 2) While TES only affects the distance of one or two atomic layers from GBs, the RIS can affect a broader distance from GB. Therefore, the W-shape due to pre-existing GB segregation is much narrower than that due to composition gradient formed during the transient state. Considering the measurement resolution of Auger or STEM analysis, the segregation tendency due to RIS should play a dominant role in the measured values. However, The GB segregation due to pre-existing GB segregation may affect the chemical potential of element at GB, and subsequently the corrosion resistance. 3) Based on the newly developed thermodynamic database of Fe-Cr-Ni-Mo, we predicted the Ni2(Cr,Mo) as a thermodynamically stable phase in all investigated low Fe-content Ni-based alloys. The calculated phase amount decreases with the increasing Fe content, being consistent with that observed in the irradiated materials. 4) The formation of the Ni2(Cr,Mo) phase in irradiated materials is due to irradiation enhanced diffusion. The calculated equilibrium Ni2(Cr,Mo) amount is more than that observed in the irradiated materials, suggesting that the amount of Ni2(Cr,Mo) is likely to increase more with further irradiation.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22731932','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22731932"><span>Pore-scale characterization of biogeochemical controls on iron and uranium speciation under flow conditions.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Pearce, Carolyn I; Wilkins, Michael J; Zhang, Changyong; Heald, Steve M; Fredrickson, Jim K; Zachara, John M</p> <p>2012-08-07</p> <p>Etched silicon microfluidic pore network models (micromodels) with controlled chemical and redox gradients, mineralogy, and microbiology under continuous flow conditions are used for the incremental development of complex microenvironments that simulate subsurface conditions. We demonstrate the colonization of micromodel pore spaces by an anaerobic Fe(III)-reducing bacterial species (Geobacter sulfurreducens) and the enzymatic reduction of a bioavailable Fe(III) phase within this environment. Using both X-ray microprobe and X-ray absorption spectroscopy, we investigate the combined effects of the precipitated Fe(III) phases and the microbial population on uranium biogeochemistry under flow conditions. Precipitated Fe(III) phases within the micromodel were most effectively reduced in the presence of an electron shuttle (AQDS), and Fe(II) ions adsorbed onto the precipitated mineral surface without inducing any structural change. In the absence of Fe(III), U(VI) was effectively reduced by the microbial population to insoluble U(IV), which was precipitated in discrete regions associated with biomass. In the presence of Fe(III) phases, however, both U(IV) and U(VI) could be detected associated with biomass, suggesting reoxidation of U(IV) by localized Fe(III) phases. These results demonstrate the importance of the spatial localization of biomass and redox active metals, and illustrate the key effects of pore-scale processes on contaminant fate and reactive transport.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21843679','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21843679"><span>Oxidase-functionalized Fe(3)O(4) nanoparticles for fluorescence sensing of specific substrate.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Liu, Cheng-Hao; Tseng, Wei-Lung</p> <p>2011-10-03</p> <p>This study reports the development of a reusable, single-step system for the detection of specific substrates using oxidase-functionalized Fe(3)O(4) nanoparticles (NPs) as a bienzyme system and using amplex ultrared (AU) as a fluorogenic substrate. In the presence of H(2)O(2), the reaction pH between Fe(3)O(4) NPs and AU was similar to the reaction of oxidase and the substrate. The catalytic activity of Fe(3)O(4) NPs with AU was nearly unchanged following modification with poly(diallyldimethylammonium chloride) (PDDA). Based on these features, we prepared a composite of PDDA-modified Fe(3)O(4) NPs and oxidase for the quantification of specific substrates through the H(2)O(2)-mediated oxidation of AU. By monitoring fluorescence intensity at 587 nm of oxidized AU, the minimum detectable concentrations of glucose, galactose, and choline were found to be 3, 2, and 20 μM using glucose oxidase-Fe(3)O(4), galactose oxidase-Fe(3)O(4), and choline oxidase-Fe(3)O(4) composites, respectively. The identification of glucose in blood was selected as the model to validate the applicability of this proposed method. Copyright © 2011 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/13129308','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/13129308"><span>Immobilization of Fe chelators on sepharose gel and its effect on their chemical properties.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Yehuda, Zehava; Hadar, Yitzhak; Chen, Yona</p> <p>2003-09-24</p> <p>Iron chelates are usually costly and easily leached beyond the root zone. This creates a need to frequently replenish the rhizosphere with chelated Fe and might contaminate groundwater with organic compounds and metals. The development of a slow-release Fe fertilizer that will efficiently supply Fe to plants while exhibiting high resistance toward leaching and/or degradation in the rhizosphere has been the focus of this study. Desferrioxamine B (DFOB) and ethylenediaminebis(o-hydroxyphenylacetic acid) (EDDHA) were immobilized on Sepharose. (13)C NMR and FTIR measurements confirmed that coupling of DFOB to the gel did not appear to influence its ability to chelate Fe(3+) or its binding nature. Isotherms for the immobilized ligands were determined in the presence of 1 mM HEDTA, at 25 degrees C and at an ionic strength of 0.1 M. The isotherms showed a high affinity of Fe(3+) to the ligands and binding up to saturation level throughout the pH range examined (4.0-9.0). The K(app) values for the immobilized Fe chelates were determined using a modified Scatchard model and found to be lower than the soluble ones. This decrease in K(app) might facilitate Fe uptake from these chelates by plants.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25372632','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25372632"><span>Structural characterization of environmentally relevant ternary uranyl citrate complexes present in aqueous solutions and solid state materials.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Basile, Madeline; Unruh, Daniel K; Flores, Erin; Johns, Adam; Forbes, Tori Z</p> <p>2015-02-14</p> <p>Organic acids are important metal chelators in environmental systems and tend to form soluble complexes in aqueous solutions, ultimately influencing the transport and bioavailability of contaminants in surface and subsurface waters. This is particularly true for the formation of uranyl citrate complexes, which have been utilized in advanced photo- and bioremediation strategies for soils contaminated with nuclear materials. Given the complexity of environmental systems, the formation of ternary or heterometallic uranyl species in aqueous solutions are also expected, particularly with Al(iii) and Fe(iii) cations. These ternary forms are reported to be more stable in aqueous solutions, potentially enhancing contaminant mobility and uptake by organisms, but the exact coordination geometries of these soluble molecular complexes have not been elucidated. To provide insight into the nature of these species, we have developed a series of geochemical model compounds ([(UO(2))(2)Al(2)(C(6)H(4)O(7))(4)](6-) (U(2)Al(2)), [(UO(2))(2)Fe(2)(C(6)H(4)O(7))(4)](6-) (U(2)Fe(2)-1) and [(UO(2))(2)Fe(2)(C(6)H(4)O(7))(4)(H(2)O)(2)](6-) (U(2)Fe(2)-2) and [(UO(2))(2)Fe(4)(OH)(4)(C(6)H(4)O(7))(4)](8-) (U(2)Fe(4))) that were characterized by single-crystal X-ray diffraction and vibrational spectroscopy. Mass spectroscopy was then employed to compare the model compounds to species present in aqueous solutions to provide an enhanced understanding of the ternary uranyl citrate complexes that could be relevant in natural systems.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27355940','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27355940"><span>Spectroscopic and Kinetic Characterization of Peroxidase-Like π-Cation Radical Pinch-Porphyrin-Iron(III) Reaction Intermediate Models of Peroxidase Enzymes.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hernández Anzaldo, Samuel; Arroyo Abad, Uriel; León García, Armando; Ramírez Rosales, Daniel; Zamorano Ulloa, Rafael; Reyes Ortega, Yasmi</p> <p>2016-06-27</p> <p>The spectroscopic and kinetic characterization of two intermediates from the H₂O₂ oxidation of three dimethyl ester [(proto), (meso), (deuteroporphyrinato) (picdien)]Fe(III) complexes ([FePPPic], [FeMPPic] and [FeDPPic], respectively) pinch-porphyrin peroxidase enzyme models, with s = 5/2 and 3/2 Fe(III) quantum mixed spin (qms) ground states is described herein. The kinetic study by UV/Vis at λmax = 465 nm showed two different types of kinetics during the oxidation process in the guaiacol test for peroxidases (1-3 + guaiacol + H₂O₂ → oxidation guaiacol products). The first intermediate was observed during the first 24 s of the reaction. When the reaction conditions were changed to higher concentration of pinch-porphyrins and hydrogen peroxide only one type of kinetics was observed. Next, the reaction was performed only between pinch-porphyrins-Fe(III) and H₂O₂, resulting in only two types of kinetics that were developed during the first 0-4 s. After this time a self-oxidation process was observed. Our hypotheses state that the formation of the π-cation radicals, reaction intermediates of the pinch-porphyrin-Fe(III) family with the ligand picdien [N,N'-bis-pyridin-2-ylmethyl-propane-1,3-diamine], occurred with unique kinetics that are different from the overall process and was involved in the oxidation pathway. UV-Vis, ¹H-NMR and ESR spectra confirmed the formation of such intermediates. The results in this paper highlight the link between different spectroscopic techniques that positively depict the kinetic traits of artificial compounds with enzyme-like activity.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4151041','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4151041"><span>Oxygenic photosynthesis as a protection mechanism for cyanobacteria against iron-encrustation in environments with high Fe2+ concentrations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Ionescu, Danny; Buchmann, Bettina; Heim, Christine; Häusler, Stefan; de Beer, Dirk; Polerecky, Lubos</p> <p>2014-01-01</p> <p>If O2 is available at circumneutral pH, Fe2+ is rapidly oxidized to Fe3+, which precipitates as FeO(OH). Neutrophilic iron oxidizing bacteria have evolved mechanisms to prevent self-encrustation in iron. Hitherto, no mechanism has been proposed for cyanobacteria from Fe2+-rich environments; these produce O2 but are seldom found encrusted in iron. We used two sets of illuminated reactors connected to two groundwater aquifers with different Fe2+ concentrations (0.9 μM vs. 26 μM) in the Äspö Hard Rock Laboratory (HRL), Sweden. Cyanobacterial biofilms developed in all reactors and were phylogenetically different between the reactors. Unexpectedly, cyanobacteria growing in the Fe2+-poor reactors were encrusted in iron, whereas those in the Fe2+-rich reactors were not. In-situ microsensor measurements showed that O2 concentrations and pH near the surface of the cyanobacterial biofilms from the Fe2+-rich reactors were much higher than in the overlying water. This was not the case for the biofilms growing at low Fe2+ concentrations. Measurements with enrichment cultures showed that cyanobacteria from the Fe2+-rich environment increased their photosynthesis with increasing Fe2+ concentrations, whereas those from the low Fe2+ environment were inhibited at Fe2+ > 5 μM. Modeling based on in-situ O2 and pH profiles showed that cyanobacteria from the Fe2+-rich reactor were not exposed to significant Fe2+ concentrations. We propose that, due to limited mass transfer, high photosynthetic activity in Fe2+-rich environments forms a protective zone where Fe2+ precipitates abiotically at a non-lethal distance from the cyanobacteria. This mechanism sheds new light on the possible role of cyanobacteria in precipitation of banded iron formations. PMID:25228899</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29559240','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29559240"><span>Differences in 3D vs. 2D analysis in lumbar spinal fusion simulations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hsu, Hung-Wei; Bashkuev, Maxim; Pumberger, Matthias; Schmidt, Hendrik</p> <p>2018-04-27</p> <p>Lumbar interbody fusion is currently the gold standard in treating patients with disc degeneration or segmental instability. Despite it having been used for several decades, the non-union rate remains high. A failed fusion is frequently attributed to an inadequate mechanical environment after instrumentation. Finite element (FE) models can provide insights into the mechanics of the fusion process. Previous fusion simulations using FE models showed that the geometries and material of the cage can greatly influence the fusion outcome. However, these studies used axisymmetric models which lacked realistic spinal geometries. Therefore, different modeling approaches were evaluated to understand the bone-formation process. Three FE models of the lumbar motion segment (L4-L5) were developed: 2D, Sym-3D and Nonsym-3D. The fusion process based on existing mechano-regulation algorithms using the FE simulations to evaluate the mechanical environment was then integrated into these models. In addition, the influence of different lordotic angles (5, 10 and 15°) was investigated. The volume of newly formed bone, the axial stiffness of the whole segment and bone distribution inside and surrounding the cage were evaluated. In contrast to the Nonsym-3D, the 2D and Sym-3D models predicted excessive bone formation prior to bridging (peak values with 36 and 9% higher than in equilibrium, respectively). The 3D models predicted a more uniform bone distribution compared to the 2D model. The current results demonstrate the crucial role of the realistic 3D geometry of the lumbar motion segment in predicting bone formation after lumbar spinal fusion. Copyright © 2018 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013JNuM..437..154M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013JNuM..437..154M"><span>Axisymmetric whole pin life modelling of advanced gas-cooled reactor nuclear fuel</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mella, R.; Wenman, M. R.</p> <p>2013-06-01</p> <p>Thermo-mechanical contributions to pellet-clad interaction (PCI) in advanced gas-cooled reactors (AGRs) are modelled in the ABAQUS finite element (FE) code. User supplied sub-routines permit the modelling of the non-linear behaviour of AGR fuel through life. Through utilisation of ABAQUS's well-developed pre- and post-processing ability, the behaviour of the axially constrained steel clad fuel was modelled. The 2D axisymmetric model includes thermo-mechanical behaviour of the fuel with time and condition dependent material properties. Pellet cladding gap dynamics and thermal behaviour are also modelled. The model treats heat up as a fully coupled temperature-displacement study. Dwell time and direct power cycling was applied to model the impact of online refuelling, a key feature of the AGR. The model includes the visco-plastic behaviour of the fuel under the stress and irradiation conditions within an AGR core and a non-linear heat transfer model. A multiscale fission gas release model is applied to compute pin pressure; this model is coupled to the PCI gap model through an explicit fission gas inventory code. Whole pin, whole life, models are able to show the impact of the fuel on all segments of cladding including weld end caps and cladding pellet locking mechanisms (unique to AGR fuel). The development of this model in a commercial FE package shows that the development of a potentially verified and future-proof fuel performance code can be created and used. The usability of a FE based fuel performance code would be an enhancement over past codes. Pre- and post-processors have lowered the entry barrier for the development of a fuel performance model to permit the ability to model complicated systems. Typical runtimes for a 5 year axisymmetric model takes less than one hour on a single core workstation. The current model has implemented: Non-linear fuel thermal behaviour, including a complex description of heat flow in the fuel. Coupled with a variety of different FE and finite difference models. Non-linear mechanical behaviour of the fuel and cladding including, fuel creep and swelling and cladding creep and plasticity each with dependencies on a variety of different properties. A fission gas release model which takes inputs from first principles calculations. Explicitly integrated inventory calculations performed in a coupled manner. Freedom to model steady state and transient behaviour using implicit time integration. The whole pin geometry is considered over an entire typical fuel life. The model showed by examination of normal operation and a subsequent transient chosen for software demonstration purposes: ABAQUS may be a sufficiently flexible platform to develop a complete and verified fuel performance code. The importance and effectiveness of the geometry of the fuel spacer pellets was characterised. The fuels performance under normal conditions (high friction no power spikes) would not suggest serious degradation of the cladding in fuel life. Large plastic strains were found when pellet bonding was strong, these would appear at all pellets cladding triple points and all pellet radial crack and cladding interfaces thus showing a possible axial direction to cracks forming from ductility exhaustion.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4074985','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4074985"><span>Modelling and Analysis on Biomechanical Dynamic Characteristics of Knee Flexion Movement under Squatting</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Wang, Jianping; Tao, Kun; Li, Huanyi; Wang, Chengtao</p> <p>2014-01-01</p> <p>The model of three-dimensional (3D) geometric knee was built, which included femoral-tibial, patellofemoral articulations and the bone and soft tissues. Dynamic finite element (FE) model of knee was developed to simulate both the kinematics and the internal stresses during knee flexion. The biomechanical experimental system of knee was built to simulate knee squatting using cadaver knees. The flexion motion and dynamic contact characteristics of knee were analyzed, and verified by comparing with the data from in vitro experiment. The results showed that the established dynamic FE models of knee are capable of predicting kinematics and the contact stresses during flexion, and could be an efficient tool for the analysis of total knee replacement (TKR) and knee prosthesis design. PMID:25013852</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016MS%26E..158a2067M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016MS%26E..158a2067M"><span>Multigrid finite element method in stress analysis of three-dimensional elastic bodies of heterogeneous structure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Matveev, A. D.</p> <p>2016-11-01</p> <p>To calculate the three-dimensional elastic body of heterogeneous structure under static loading, a method of multigrid finite element is provided, when implemented on the basis of algorithms of finite element method (FEM), using homogeneous and composite threedimensional multigrid finite elements (MFE). Peculiarities and differences of MFE from the currently available finite elements (FE) are to develop composite MFE (without increasing their dimensions), arbitrarily small basic partition of composite solids consisting of single-grid homogeneous FE of the first order can be used, i.e. in fact, to use micro approach in finite element form. These small partitions allow one to take into account in MFE, i.e. in the basic discrete models of composite solids, complex heterogeneous and microscopically inhomogeneous structure, shape, the complex nature of the loading and fixation and describe arbitrarily closely the stress and stain state by the equations of three-dimensional elastic theory without any additional simplifying hypotheses. When building the m grid FE, m of nested grids is used. The fine grid is generated by a basic partition of MFE, the other m —1 large grids are applied to reduce MFE dimensionality, when m is increased, MFE dimensionality becomes smaller. The procedures of developing MFE of rectangular parallelepiped, irregular shape, plate and beam types are given. MFE generate the small dimensional discrete models and numerical solutions with a high accuracy. An example of calculating the laminated plate, using three-dimensional 3-grid FE and the reference discrete model is given, with that having 2.2 milliards of FEM nodal unknowns.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009PhRvB..80j4440N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009PhRvB..80j4440N"><span>Model many-body Stoner Hamiltonian for binary FeCr alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Nguyen-Manh, D.; Dudarev, S. L.</p> <p>2009-09-01</p> <p>We derive a model tight-binding many-body d -electron Stoner Hamiltonian for FeCr binary alloys and investigate the sensitivity of its mean-field solutions to the choice of hopping integrals and the Stoner exchange parameters. By applying the local charge-neutrality condition within a self-consistent treatment we show that the negative enthalpy-of-mixing anomaly characterizing the alloy in the low chromium concentration limit is due entirely to the presence of the on-site exchange Stoner terms and that the occurrence of this anomaly is not specifically related to the choice of hopping integrals describing conventional chemical bonding between atoms in the alloy. The Bain transformation pathway computed, using the proposed model Hamiltonian, for the Fe15Cr alloy configuration is in excellent agreement with ab initio total-energy calculations. Our investigation also shows how the parameters of a tight-binding many-body model Hamiltonian for a magnetic alloy can be derived from the comparison of its mean-field solutions with other, more accurate, mean-field approximations (e.g., density-functional calculations), hence stimulating the development of large-scale computational algorithms for modeling radiation damage effects in magnetic alloys and steels.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li class="active"><span>17</span></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_17 --> <div id="page_18" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li class="active"><span>18</span></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="341"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29853997','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29853997"><span>The Influence of Neck Muscle Activation on Head and Neck Injuries of Occupants in Frontal Impacts.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Li, Fan; Lu, Ronggui; Hu, Wei; Li, Honggeng; Hu, Shiping; Hu, Jiangzhong; Wang, Haibin; Xie, He</p> <p>2018-01-01</p> <p>The aim of the present paper was to study the influence of neck muscle activation on head and neck injuries of vehicle occupants in frontal impacts. A mixed dummy-human finite element model was developed to simulate a frontal impact. The head-neck part of a Hybrid III dummy model was replaced by a well-validated head-neck FE model with passive and active muscle characteristics. The mixed dummy-human FE model was validated by 15 G frontal volunteer tests conducted in the Naval Biodynamics Laboratory. The effects of neck muscle activation on the head dynamic responses and neck injuries of occupants in three frontal impact intensities, low speed (10 km/h), medium speed (30 km/h), and high speed (50 km/h), were studied. The results showed that the mixed dummy-human FE model has good biofidelity. The activation of neck muscles can not only lower the head resultant acceleration under different impact intensities and the head angular acceleration in medium- and high-speed impacts, thereby reducing the risks of head injury, but also protect the neck from injury in low-speed impacts.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1110643','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1110643"><span>Prediction and Monitoring Systems of Creep-Fracture Behavior of 9Cr-1Mo Steels for Teactor Pressure Vessels</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Potirniche, Gabriel; Barlow, Fred D.; Charit, Indrajit</p> <p>2013-11-26</p> <p>A recent workshop on next-generation nuclear plant (NGNP) topics underscored the need for research studies on the creep fracture behavior of two materials under consideration for reactor pressure vessel (RPV) applications: 9Cr-1Mo and SA-5XX steels. This research project will provide a fundamental understanding of creep fracture behavior of modified 9Cr-1Mo steel welds for through modeling and experimentation and will recommend a design for an RPV structural health monitoring system. Following are the specific objectives of this research project: Characterize metallurgical degradation in welded modified 9Cr-1Mo steel resulting from aging processes and creep service conditions; Perform creep tests and characterize themore » mechanisms of creep fracture process; Quantify how the microstructure degradation controls the creep strength of welded steel specimens; Perform finite element (FE) simulations using polycrystal plasticity to understand how grain texture affects the creep fracture properties of welds; Develop a microstructure-based creep fracture model to estimate RPVs service life; Manufacture small, prototypic, cylindrical pressure vessels, subject them to degradation by aging, and measure their leak rates; Simulate damage evolution in creep specimens by FE analyses; Develop a model that correlates gas leak rates from welded pressure vessels with the amount of microstructural damage; Perform large-scale FE simulations with a realistic microstructure to evaluate RPV performance at elevated temperatures and creep strength; Develop a fracture model for the structural integrity of RPVs subjected to creep loads; and Develop a plan for a non-destructive structural health monitoring technique and damage detection device for RPVs.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://pubs.er.usgs.gov/publication/70025295','USGSPUBS'); return false;" href="https://pubs.er.usgs.gov/publication/70025295"><span>Modeling aqueous ferrous iron chemistry at low temperatures with application to Mars</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://pubs.er.usgs.gov/pubs/index.jsp?view=adv">USGS Publications Warehouse</a></p> <p>Marion, G.M.; Catling, D.C.; Kargel, J.S.</p> <p>2003-01-01</p> <p>Major uncertainties exist with respect to the aqueous geochemical evolution of the Martian surface. Considering the prevailing cryogenic climates and the abundance of salts and iron minerals on Mars, any attempt at comprehensive modeling of Martian aqueous chemistry should include iron chemistry and be valid at low temperatures and high solution concentrations. The objectives of this paper were to (1) estimate ferrous iron Pitzer-equation parameters and iron mineral solubility products at low temperatures (from < 0 ??C to 25 ??C), (2) incorporate these parameters and solubility products into the FREZCHEM model, and (3) use the model to simulate the surficial aqueous geochemical evolution of Mars. Ferrous iron Pitzer-equation parameters were derived in this work or taken from the literature. Six new iron minerals [FeCl2??4H2O, FeCl2??6H2O, FeSO4??H2O, FeSO4??7H2O, FeCO3, and Fe(OH)3] were added to the FREZCHEM model bringing the total solid phases to 56. Agreement between model predictions and experimental data are fair to excellent for the ferrous systems: Fe-Cl, Fe-SO4, Fe-HCO3, H-Fe-Cl, and H-Fe-SO4. We quantified a conceptual model for the aqueous geochemical evolution of the Martian surface. The five stages of the conceptual model are: (1) carbonic acid weathering of primary ferromagnesian minerals to form an initial magnesium-iron-bicarbonate-rich solution; (2) evaporation and precipitation of carbonates, including siderite (FeCO3), with evolution of the brine to a concentrated NaCl solution; (3) ferrous/ferric iron oxidation; (4) either evaporation or freezing of the brine to dryness; and (5) surface acidification. What began as a dilute Mg-Fe-HCO3 dominated leachate representing ferromagnesian weathering evolved into an Earth-like seawater composition dominated by NaCl, and finally into a hypersaline Mg-Na-SO4-Cl brine. Weathering appears to have taken place initially under conditions that allowed solution of ferrous iron [low O2(g)], but later caused oxidation of iron [high O2(g)]. Surface acidification and/or sediment burial can account for the minor amounts of Martian surface carbonates. This model rests on a large number of assumptions and is therefore speculative. Nevertheless, the model is consistent with current understanding concerning surficial salts and minerals based on Martian meteorites, Mars lander data, and remotely-sensed spectral analyses. ?? 2003 Elsevier Ltd.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012JMEP...21...25O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012JMEP...21...25O"><span>Modeling and Analysis of Process Parameters for Evaluating Shrinkage Problems During Plastic Injection Molding of a DVD-ROM Cover</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Öktem, H.</p> <p>2012-01-01</p> <p>Plastic injection molding plays a key role in the production of high-quality plastic parts. Shrinkage is one of the most significant problems of a plastic part in terms of quality in the plastic injection molding. This article focuses on the study of the modeling and analysis of the effects of process parameters on the shrinkage by evaluating the quality of the plastic part of a DVD-ROM cover made with Acrylonitrile Butadiene Styrene (ABS) polymer material. An effective regression model was developed to determine the mathematical relationship between the process parameters (mold temperature, melt temperature, injection pressure, injection time, and cooling time) and the volumetric shrinkage by utilizing the analysis data. Finite element (FE) analyses designed by Taguchi (L27) orthogonal arrays were run in the Moldflow simulation program. Analysis of variance (ANOVA) was then performed to check the adequacy of the regression model and to determine the effect of the process parameters on the shrinkage. Experiments were conducted to control the accuracy of the regression model with the FE analyses obtained from Moldflow. The results show that the regression model agrees very well with the FE analyses and the experiments. From this, it can be concluded that this study succeeded in modeling the shrinkage problem in our application.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20040073465','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20040073465"><span>Stress Distribution During Deformation of Polycrystalline Aluminum by Molecular-Dynamics and Finite-Element Modeling</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Yamakov, V.; Saether, E.; Phillips, D.; Glaessgen, E. H.</p> <p>2004-01-01</p> <p>In this paper, a multiscale modelling strategy is used to study the effect of grain-boundary sliding on stress localization in a polycrystalline microstructure with an uneven distribution of grain size. The development of the molecular dynamics (MD) analysis used to interrogate idealized grain microstructures with various types of grain boundaries and the multiscale modelling strategies for modelling large systems of grains is discussed. Both molecular-dynamics and finite-element (FE) simulations for idealized polycrystalline models of identical geometry are presented with the purpose of demonstrating the effectiveness of the adapted finite-element method using cohesive zone models to reproduce grain-boundary sliding and its effect on the stress distribution in a polycrystalline metal. The yield properties of the grain-boundary interface, used in the FE simulations, are extracted from a MD simulation on a bicrystal. The models allow for the study of the load transfer between adjacent grains of very different size through grain-boundary sliding during deformation. A large-scale FE simulation of 100 grains of a typical microstructure is then presented to reveal that the stress distribution due to grain-boundary sliding during uniform tensile strain can lead to stress localization of two to three times the background stress, thus suggesting a significant effect on the failure properties of the metal.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2003PhDT.......239B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2003PhDT.......239B"><span>Mechanical testing and modelling of carbon-carbon composites for aircraft disc brakes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bradley, Luke R.</p> <p></p> <p>The objective of this study is to improve the understanding of the stress distributions and failure mechanisms experienced by carbon-carbon composite aircraft brake discs using finite element (FE) analyses. The project has been carried out in association with Dunlop Aerospace as an EPSRC CASE studentship. It therefore focuses on the carbon-carbon composite brake disc material produced by Dunlop Aerospace, although it is envisaged that the approach will have broader applications for modelling and mechanical testing of carbon-carbon composites in general. The disc brake material is a laminated carbon-carbon composite comprised of poly(acrylonitrile) (PAN) derived carbon fibres in a chemical vapour infiltration (CVI) deposited matrix, in which the reinforcement is present in both continuous fibre and chopped fibre forms. To pave the way for the finite element analysis, a comprehensive study of the mechanical properties of the carbon-carbon composite material was carried out. This focused largely, but not entirely, on model composite materials formulated using structural elements of the disc brake material. The strengths and moduli of these materials were measured in tension, compression and shear in several orientations. It was found that the stress-strain behaviour of the materials were linear in directions where there was some continuous fibre reinforcement, but non-linear when this was not the case. In all orientations, some degree of non-linearity was observed in the shear stress-strain response of the materials. However, this non-linearity was generally not large enough to pose a problem for the estimation of elastic moduli. Evidence was found for negative Poisson's ratio behaviour in some orientations of the material in tension. Additionally, the through-thickness properties of the composite, including interlaminar shear strength, were shown to be positively related to bulk density. The in-plane properties were mostly unrelated to bulk density over the range of densities of the tested specimens.Two types of FE model were developed using a commercially available program. The first type was designed to analyse the model composite materials for comparison with mechanical test data for the purpose of validation of the FE model. Elastic moduli predicted by this type of FE model showed good agreement with the experimentally measured elastic moduli of the model composite materials. This result suggested that the use of layered FE models, which rely upon an isostrain assumption between the layers, can be useful in predicting the elastic properties of different lay-ups of the disc brake material.The second type of FE model analysed disc brake segments, using the experimentally measured bulk mechanical properties of the disc brake material. This FE model approximated the material as a continuum with in-plane isotropy but with different properties in the through-thickness direction. In order to validate this modelling approach, the results of the FE analysis were compared with mechanical tests on disc brake segments, which were loaded by their drive tenons in a manner intended to simulate in-service loading. The FE model showed good agreement with in-plane strains measured on the disc tenon face close to the swept area of the disc, but predicted significantly higher strains than those experimentally measured on the tenon fillet curve. This discrepancy was attributed to the existence of a steep strain gradient on the fillet curve.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/7246563-orientation-dependence-grain-boundary-energy-metals-view-pseudoheterophase-dislocation-core-model','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/7246563-orientation-dependence-grain-boundary-energy-metals-view-pseudoheterophase-dislocation-core-model"><span>Orientation dependence of grain-boundary energy in metals in the view of a pseudoheterophase dislocation core model</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Missol, W.</p> <p></p> <p>A new dislocation model for symmetric tilt grain boundaries was developed as a basis for deriving the quantitative dependence of grain-boundary energy upon misorientation angle in the form of an expression similar to that given by Read and Shockley (Phys. Rev. 78: 275(1950)). The range of applicability of this equation was extended to over 20 degrees. A comparison of theory and experiment was made for Bi, Ag, Cu, and Fe--Si 3 percent in the teen-degree range of misorientation angles and for Au, ..cap alpha..-Fe, Mo, and W in the high-angle range.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1089976','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1089976"><span>Subsurface Uranium Fate and Transport: Integrated Experiments and Modeling of Coupled Biogeochemical Mechanisms of Nanocrystalline Uraninite Oxidation by Fe(III)-(hydr)oxides - Project Final Report</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Peyton, Brent M.; Timothy, Ginn R.; Sani, Rajesh K.</p> <p>2013-08-14</p> <p>Subsurface bacteria including sulfate reducing bacteria (SRB) reduce soluble U(VI) to insoluble U(IV) with subsequent precipitation of UO 2. We have shown that SRB reduce U(VI) to nanometer-sized UO 2 particles (1-5 nm) which are both intra- and extracellular, with UO 2 inside the cell likely physically shielded from subsequent oxidation processes. We evaluated the UO 2 nanoparticles produced by Desulfovibrio desulfuricans G20 under growth and non-growth conditions in the presence of lactate or pyruvate and sulfate, thiosulfate, or fumarate, using ultrafiltration and HR-TEM. Results showed that a significant mass fraction of bioreduced U (35-60%) existed as a mobile phasemore » when the initial concentration of U(VI) was 160 µM. Further experiments with different initial U(VI) concentrations (25 - 900 M) in MTM with PIPES or bicarbonate buffers indicated that aggregation of uraninite depended on the initial concentrations of U(VI) and type of buffer. It is known that under some conditions SRB-mediated UO 2 nanocrystals can be reoxidized (and thus remobilized) by Fe(III)-(hydr)oxides, common constituents of soils and sediments. To elucidate the mechanism of UO 2 reoxidation by Fe(III) (hydr)oxides, we studied the impact of Fe and U chelating compounds (citrate, NTA, and EDTA) on reoxidation rates. Experiments were conducted in anaerobic batch systems in PIPES buffer. Results showed EDTA significantly accelerated UO 2 reoxidation with an initial rate of 9.5 M day-1 for ferrihydrite. In all cases, bicarbonate increased the rate and extent of UO 2 reoxidation with ferrihydrite. The highest rate of UO 2 reoxidation occurred when the chelator promoted UO 2 and Fe(III) (hydr)oxide dissolution as demonstrated with EDTA. When UO 2 dissolution did not occur, UO 2 reoxidation likely proceeded through an aqueous Fe(III) intermediate as observed for both NTA and citrate. To complement to these laboratory studies, we collected U-bearing samples from a surface seep at the Rifle field site and have measured elevated U concentrations in oxic iron-rich sediments. To translate experimental results into numerical analysis of U fate and transport, a reaction network was developed based on Sani et al. (2004) to simulate U(VI) bioreduction with concomitant UO 2 reoxidation in the presence of hematite or ferrihydrite. The reduction phase considers SRB reduction (using lactate) with the reductive dissolution of Fe(III) solids, which is set to be microbially mediated as well as abiotically driven by sulfide. Model results show the oxidation of HS– by Fe(III) directly competes with UO 2 reoxidation as Fe(III) oxidizes HS– preferentially over UO 2. The majority of Fe reduction is predicted to be abiotic, with ferrihydrite becoming fully consumed by reaction with sulfide. Predicted total dissolved carbonate concentrations from the degradation of lactate are elevated (log(pCO 2) ~ –1) and, in the hematite system, yield close to two orders-of-magnitude higher U(VI) concentrations than under initial carbonate concentrations of 3 mM. Modeling of U(VI) bioreduction with concomitant reoxidation of UO 2 in the presence of ferrihydrite was also extended to a two-dimensional field-scale groundwater flow and biogeochemically reactive transport model for the South Oyster site in eastern Virginia. This model was developed to simulate the field-scale immobilization and subsequent reoxidation of U by a biologically mediated reaction network.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013PhDT.......443S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013PhDT.......443S"><span>Thermal Stability of Nanocrystalline Alloys by Solute Additions and A Thermodynamic Modeling</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Saber, Mostafa</p> <p></p> <p>Nanocrystalline alloys show superior properties due to their exceptional microstructure. Thermal stability of these materials is a critical aspect. It is well known that grain boundaries in nanocrystalline microstructures cause a significant increase in the total free energy of the system. A driving force provided to reduce this excess free energy can cause grain growth. The presence of a solute addition within a nanocrystalline alloy can lead to the thermal stability. Kinetic and thermodynamic stabilization are the two basic mechanisms with which stability of a nanoscale grain size can be achieved at high temperatures. The basis of this thesis is to study the effect of solute addition on thermal stability of nanocrystalline alloys. The objective is to determine the effect of Zr addition on the thermal stability of mechanically alloyed nanocrysatillne Fe-Cr and Fe-Ni alloys. In Fe-Cr-Zr alloy system, nanoscale grain size stabilization was maintained up to 900 °C by adding 2 at% Zr. Kinetic pinning by intermetallic particles in the nanoscale range was identified as a primary mechanism of thermal stabilization. In addition to the grain size strengthening, intermetallic particles also contribute to strengthening mechanisms. The analysis of microhardness, XRD data, and measured grain sizes from TEM micrographs suggested that both thermodynamic and kinetic mechanisms are possible mechanisms. It was found that alpha → gamma phase transformation in Fe-Cr-Zr system does not influence the grain size stabilization. In the Fe-Ni-Zr alloy system, it was shown that the grain growth in Fe-8Ni-1Zr alloy is much less than that of pure Fe and Fe-8Ni alloy at elevated temperatures. The microstructure of the ternary Fe-8Ni-1Zr alloy remains in the nanoscale range up to 700 °C. Using an in-situ TEM study, it was determined that drastic grain growth occurs when the alpha → gamma phase transformation occurs. Accordingly, there can be a synergistic relationship between grain growth and alpha → gamma phase transformation in Fe-Ni-Zr alloys. In addition to the experimental study of thermal stabilization of nanocrystalline Fe-Cr-Zr or Fe-Ni-Zr alloys, the thesis presented here developed a new predictive model, applicable to strongly segregating solutes, for thermodynamic stabilization of binary alloys. This model can serve as a benchmark for selecting solute and evaluating the possible contribution of stabilization. Following a regular solution model, both the chemical and elastic strain energy contributions are combined to obtain the mixing enthalpy. The total Gibbs free energy of mixing is then minimized with respect to simultaneous variations in the grain boundary volume fraction and the solute concentration in the grain boundary and the grain interior. The Lagrange multiplier method was used to obtained numerical solutions. Application are given for the temperature dependence of the grain size and the grain boundary solute excess for selected binary system where experimental results imply that thermodynamic stabilization could be operative. This thesis also extends the binary model to a new model for thermodynamic stabilization of ternary nanocrystalline alloys. It is applicable to strongly segregating size-misfit solutes and uses input data available in the literature. In a same manner as the binary model, this model is based on a regular solution approach such that the chemical and elastic strain energy contributions are incorporated into the mixing enthalpy DeltaHmix, and the mixing entropy DeltaSmix is obtained using the ideal solution approximation. The Gibbs mixing free energy Delta Gmix is then minimized with respect to simultaneous variations in grain growth and solute segregation parameters. The Lagrange multiplier method is similarly used to obtain numerical solutions for the minimum Delta Gmix. The temperature dependence of the nanocrystalline grain size and interfacial solute excess can be obtained for selected ternary systems. As an example, model predictions are compared to experimental results for Fe-Cr-Zr and Fe-Ni-Zr alloy systems. Consistency between the experimental results and the present model predictions provide a more rigorous criterion for investigating thermal stabilization. However, other possible contributions for grain growth stabilization should still be considered.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/16298848','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/16298848"><span>Orbital and maxillofacial computer aided surgery: patient-specific finite element models to predict surgical outcomes.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Luboz, Vincent; Chabanas, Matthieu; Swider, Pascal; Payan, Yohan</p> <p>2005-08-01</p> <p>This paper addresses an important issue raised for the clinical relevance of Computer-Assisted Surgical applications, namely the methodology used to automatically build patient-specific finite element (FE) models of anatomical structures. From this perspective, a method is proposed, based on a technique called the mesh-matching method, followed by a process that corrects mesh irregularities. The mesh-matching algorithm generates patient-specific volume meshes from an existing generic model. The mesh regularization process is based on the Jacobian matrix transform related to the FE reference element and the current element. This method for generating patient-specific FE models is first applied to computer-assisted maxillofacial surgery, and more precisely, to the FE elastic modelling of patient facial soft tissues. For each patient, the planned bone osteotomies (mandible, maxilla, chin) are used as boundary conditions to deform the FE face model, in order to predict the aesthetic outcome of the surgery. Seven FE patient-specific models were successfully generated by our method. For one patient, the prediction of the FE model is qualitatively compared with the patient's post-operative appearance, measured from a computer tomography scan. Then, our methodology is applied to computer-assisted orbital surgery. It is, therefore, evaluated for the generation of 11 patient-specific FE poroelastic models of the orbital soft tissues. These models are used to predict the consequences of the surgical decompression of the orbit. More precisely, an average law is extrapolated from the simulations carried out for each patient model. This law links the size of the osteotomy (i.e. the surgical gesture) and the backward displacement of the eyeball (the consequence of the surgical gesture).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015Nanos...714538L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015Nanos...714538L"><span>RGD-functionalized ultrasmall iron oxide nanoparticles for targeted T1-weighted MR imaging of gliomas</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Luo, Yu; Yang, Jia; Yan, Yu; Li, Jingchao; Shen, Mingwu; Zhang, Guixiang; Mignani, Serge; Shi, Xiangyang</p> <p>2015-08-01</p> <p>We report a convenient approach to prepare ultrasmall Fe3O4 nanoparticles (NPs) functionalized with an arginylglycylaspartic acid (RGD) peptide for in vitro and in vivo magnetic resonance (MR) imaging of gliomas. In our work, stable sodium citrate-stabilized Fe3O4 NPs were prepared by a solvothermal route. Then, the carboxylated Fe3O4 NPs stabilized with sodium citrate were conjugated with polyethylene glycol (PEG)-linked RGD. The formed ultrasmall RGD-functionalized nanoprobe (Fe3O4-PEG-RGD) was fully characterized using different techniques. We show that these Fe3O4-PEG-RGD particles with a size of 2.7 nm are water-dispersible, stable, cytocompatible and hemocompatible in a given concentration range, and display targeting specificity to glioma cells overexpressing αvβ3 integrin in vitro. With the relatively high r1 relaxivity (r1 = 1.4 mM-1 s-1), the Fe3O4-PEG-RGD particles can be used as an efficient nanoprobe for targeted T1-weighted positive MR imaging of glioma cells in vitro and the xenografted tumor model in vivo via an active RGD-mediated targeting pathway. The developed RGD-functionalized Fe3O4 NPs may hold great promise to be used as a nanoprobe for targeted T1-weighted MR imaging of different αvβ3 integrin-overexpressing cancer cells or biological systems.We report a convenient approach to prepare ultrasmall Fe3O4 nanoparticles (NPs) functionalized with an arginylglycylaspartic acid (RGD) peptide for in vitro and in vivo magnetic resonance (MR) imaging of gliomas. In our work, stable sodium citrate-stabilized Fe3O4 NPs were prepared by a solvothermal route. Then, the carboxylated Fe3O4 NPs stabilized with sodium citrate were conjugated with polyethylene glycol (PEG)-linked RGD. The formed ultrasmall RGD-functionalized nanoprobe (Fe3O4-PEG-RGD) was fully characterized using different techniques. We show that these Fe3O4-PEG-RGD particles with a size of 2.7 nm are water-dispersible, stable, cytocompatible and hemocompatible in a given concentration range, and display targeting specificity to glioma cells overexpressing αvβ3 integrin in vitro. With the relatively high r1 relaxivity (r1 = 1.4 mM-1 s-1), the Fe3O4-PEG-RGD particles can be used as an efficient nanoprobe for targeted T1-weighted positive MR imaging of glioma cells in vitro and the xenografted tumor model in vivo via an active RGD-mediated targeting pathway. The developed RGD-functionalized Fe3O4 NPs may hold great promise to be used as a nanoprobe for targeted T1-weighted MR imaging of different αvβ3 integrin-overexpressing cancer cells or biological systems. Electronic supplementary information (ESI) available: Additional experimental results. See DOI: 10.1039/c5nr04003e</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21120694','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21120694"><span>A stochastic visco-hyperelastic model of human placenta tissue for finite element crash simulations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hu, Jingwen; Klinich, Kathleen D; Miller, Carl S; Rupp, Jonathan D; Nazmi, Giseli; Pearlman, Mark D; Schneider, Lawrence W</p> <p>2011-03-01</p> <p>Placental abruption is the most common cause of fetal deaths in motor-vehicle crashes, but studies on the mechanical properties of human placenta are rare. This study presents a new method of developing a stochastic visco-hyperelastic material model of human placenta tissue using a combination of uniaxial tensile testing, specimen-specific finite element (FE) modeling, and stochastic optimization techniques. In our previous study, uniaxial tensile tests of 21 placenta specimens have been performed using a strain rate of 12/s. In this study, additional uniaxial tensile tests were performed using strain rates of 1/s and 0.1/s on 25 placenta specimens. Response corridors for the three loading rates were developed based on the normalized data achieved by test reconstructions of each specimen using specimen-specific FE models. Material parameters of a visco-hyperelastic model and their associated standard deviations were tuned to match both the means and standard deviations of all three response corridors using a stochastic optimization method. The results show a very good agreement between the tested and simulated response corridors, indicating that stochastic analysis can improve estimation of variability in material model parameters. The proposed method can be applied to develop stochastic material models of other biological soft tissues.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24809227','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24809227"><span>Role of tartaric and malic acids in wine oxidation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Danilewicz, John C</p> <p>2014-06-04</p> <p>Tartaric acid determines the reduction potential of the Fe(III)/Fe(II) redox couple. Therefore, it is proposed that it determines the ability of Fe to catalyze wine oxidation. The importance of tartaric acid was demonstrated by comparing the aerial oxidation of 4-methylcatechol (4-MeC) in model wine made up with tartaric and acetic acids at pH 3.6. Acetic acid, as a weaker Fe(III) ligand, should raise the reduction potential of the Fe couple. 4-MeC was oxidized in both systems, but the mechanisms were found to differ. Fe(II) readily reduced oxygen in tartrate model wine, but Fe(III) alone failed to oxidize the catechol, requiring sulfite assistance. In acetate model wine the reverse was found to operate. These observations should have broad application to model systems designed to study the oxidative process in foods and other beverages. Consideration should be given to the reduction potential of metal couples by the inclusion of appropriate ligands.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015AIPC.1678c0014Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015AIPC.1678c0014Y"><span>Structure prediction of Fe(II) 2-oxoglutarate dioxygenase from a psychrophilic yeast Glaciozyma antarctica PI12</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yusof, Nik Yusnoraini; Bakar, Farah Diba Abu; Mahadi, Nor Muhammad; Raih, Mohd Firdaus; Murad, Abdul Munir Abdul</p> <p>2015-09-01</p> <p>A cDNA encoding Fe(II) 2-oxoglutarate (2OG) dependent dioxygenases was isolated from psychrophilic yeast, Glaciozyma antarctica PI12. We have successfully amplified 1,029 bp cDNA sequence that encodes 342 amino acid with predicted molecular weight 38 kDa. The prediction protein was analysed using various bioinformatics tools to explore the properties of the protein. Based on a BLAST search analysis, the Fe2OX amino acid sequence showed 61% identity to the sequence of oxoglutarate/iron-dependent oxygenase from Rhodosporidium toruloides NP11. SignalP prediction showed that the Fe2OX protein contains no putative signal peptide, which suggests that this enzyme most probably localised intracellularly.The structure of Fe2OX was predicted by homology modelling using MODELLER9v11. The model with the lowest objective function was selected from hundred models generated using MODELLER9v11. Analysis of the structure revealed the longer loop at Fe2OX from G.antarctica that might be responsible for the flexibility of the structure, which contributes to its adaptation to low temperatures. Fe2OX hold a highly conserved Fe(II) binding HXD/E…H triad motif. The binding site for 2-oxoglutarate was found conserved for Arg280 among reported studies, however the Phe268 was found to be different in Fe2OX.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5578274','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5578274"><span>Finite Element Modeling of Multilayer Orthogonal Auxetic Composites under Low-Velocity Impact</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Jiang, Lili; Hu, Hong</p> <p>2017-01-01</p> <p>The multilayer orthogonal auxetic composites have been previously developed and tested to prove that they own excellent energy absorption and impact protection characteristics in a specific strain range under low-velocity impact. In this study, a three dimensional finite element (FE) model in ANSYS LS-DYNA was established to simulate the mechanical behavior of auxetic composites under low-velocity drop-weight impact. The simulation results including the Poisson’s ratio versus compressive strain curves and the contact stress versus compressive strain curves were compared with those in the experiments. The clear deformation pictures of the FE models have provided a simple and effective way for investigating the damage mechanism and optimizing the material, as well as structure design. PMID:28783054</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015AIPC.1703f0014C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015AIPC.1703f0014C"><span>Simulation of bone-conducted sound transmission in a three-dimensional finite-element model of a human skull</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chang, You; Kim, Namkeun; Stenfelt, Stefan</p> <p>2015-12-01</p> <p>Bone conduction (BC) is the transmission of sound to the inner ear through the bones of the skull. This type of transmission is used in humans fitted with BC hearing aids as well as to classify between conductive and sensorineural hearing losses. The objective of the present study is to develop a finite-element (FE) model of the human skull based on cryosectional images of a female cadaver head in order to gain better understanding of the sound transmission. Further, the BC behavior was validated in terms of sound transmission against experimental data published in the literature. Results showed the responses of the simulated skull FE model were consistent with the experimentally reported data.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JNuM..473..290M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JNuM..473..290M"><span>In-air and pressurized water reactor environment fatigue experiments of 316 stainless steel to study the effect of environment on cyclic hardening</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mohanty, Subhasish; Soppet, William K.; Majumdar, Saurindranath; Natesan, Krishnamurti</p> <p>2016-05-01</p> <p>Argonne National Laboratory (ANL), under the sponsorship of Department of Energy's Light Water Reactor Sustainability (LWRS) program, is trying to develop a mechanistic approach for more accurate life estimation of LWR components. In this context, ANL has conducted many fatigue experiments under different test and environment conditions on type 316 stainless steel (316 SS) material which is widely used in the US reactors. Contrary to the conventional S ∼ N curve based empirical fatigue life estimation approach, the aim of the present DOE sponsored work is to develop an understanding of the material ageing issues more mechanistically (e.g. time dependent hardening and softening) under different test and environmental conditions. Better mechanistic understanding will help develop computer-based advanced modeling tools to better extrapolate stress-strain evolution of reactor components under multi-axial stress states and hence help predict their fatigue life more accurately. Mechanics-based modeling of fatigue such as by using finite element (FE) tools requires the time/cycle dependent material hardening properties. Presently such time-dependent material hardening properties are hardly available in fatigue modeling literature even under in-air conditions. Getting those material properties under PWR environment, are even harder. Through this work we made preliminary attempt to generate time/cycle dependent stress-strain data both under in-air and PWR water conditions for further study such as for possible development of material models and constitutive relations for FE model implementation. Although, there are open-ended possibility to further improve the discussed test methods and related material estimation techniques we anticipate that the data presented in this paper will help the metal fatigue research community particularly, the researchers who are dealing with mechanistic modeling of metal fatigue such as using FE tools. In this paper the fatigue experiments under different test and environment conditions and related stress-strain results for 316 SS are discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1392988','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1392988"><span>A Simple Analytical Model for Magnetization and Coercivity of Hard/Soft Nanocomposite Magnets</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Park, Jihoon; Hong, Yang-Ki; Lee, Woncheol</p> <p></p> <p>Here, we present a simple analytical model to estimate the magnetization (σ s) and intrinsic coercivity (Hci) of a hard/soft nanocomposite magnet using the mass fraction. Previously proposed models are based on the volume fraction of the hard phase of the composite. But, it is difficult to measure the volume of the hard or soft phase material of a composite. We synthesized Sm 2Co 7/Fe-Co, MnAl/Fe-Co, MnBi/Fe-Co, and BaFe 12O 19/Fe-Co composites for characterization of their σs and Hci. The experimental results are in good agreement with the present model. Therefore, this analytical model can be extended to predict themore » maximum energy product (BH) max of hard/soft composite.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1392988-simple-analytical-model-magnetization-coercivity-hard-soft-nanocomposite-magnets','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1392988-simple-analytical-model-magnetization-coercivity-hard-soft-nanocomposite-magnets"><span>A Simple Analytical Model for Magnetization and Coercivity of Hard/Soft Nanocomposite Magnets</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Park, Jihoon; Hong, Yang-Ki; Lee, Woncheol; ...</p> <p>2017-07-10</p> <p>Here, we present a simple analytical model to estimate the magnetization (σ s) and intrinsic coercivity (Hci) of a hard/soft nanocomposite magnet using the mass fraction. Previously proposed models are based on the volume fraction of the hard phase of the composite. But, it is difficult to measure the volume of the hard or soft phase material of a composite. We synthesized Sm 2Co 7/Fe-Co, MnAl/Fe-Co, MnBi/Fe-Co, and BaFe 12O 19/Fe-Co composites for characterization of their σs and Hci. The experimental results are in good agreement with the present model. Therefore, this analytical model can be extended to predict themore » maximum energy product (BH) max of hard/soft composite.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018RuPhJ..61....7O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018RuPhJ..61....7O"><span>Thermal Coefficient of Linear Expansion Modified by Dendritic Segregation in Nickel-Iron Alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ogorodnikova, O. M.; Maksimova, E. V.</p> <p>2018-05-01</p> <p>The paper presents investigations of thermal properties of Fe-Ni and Fe-Ni-Co casting alloys affected by the heterogeneous distribution of their chemical elements. It is shown that nickel dendritic segregation has a negative effect on properties of studied invars. A mathematical model is proposed to explore the influence of nickel dendritic segregation on the thermal coefficient of linear expansion (TCLE) of the alloy. A computer simulation of TCLE of Fe-Ni-Co superinvars is performed with regard to a heterogeneous distribution of their chemical elements over the whole volume. The ProLigSol computer software application is developed for processing the data array and results of computer simulation.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li class="active"><span>18</span></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_18 --> <div id="page_19" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li class="active"><span>19</span></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="361"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006RaPC...75.1878B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006RaPC...75.1878B"><span>XAFS of short-lived reduction products of structural and functional models of the [Fe Fe] hydrogenase H-cluster</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bondin, Mark I.; Borg, Stacey J.; Cheah, Mun-Hon; Best, Stephen P.</p> <p>2006-11-01</p> <p>Thiolate-bridged diiron compounds that are related to the active site of the [Fe-Fe] hydrogenase enzyme have been shown to act as electrocatalysts for reduction of protons. The use of XAFS for clarification of the structures of intermediates formed following reduction of related diiron carbonyl compounds is described. These measurements allow the determination of Fe-Fe and Fe-S bond lengths with good reliability and when used in conjunction with the standard bonding models this provides a means of validating the structures proposed for longer-lived ( t>20 s at -50 °C) reaction intermediates.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/20524734','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/20524734"><span>A method for automatically optimizing medical devices for treating heart failure: designing polymeric injection patterns.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wenk, Jonathan F; Wall, Samuel T; Peterson, Robert C; Helgerson, Sam L; Sabbah, Hani N; Burger, Mike; Stander, Nielen; Ratcliffe, Mark B; Guccione, Julius M</p> <p>2009-12-01</p> <p>Heart failure continues to present a significant medical and economic burden throughout the developed world. Novel treatments involving the injection of polymeric materials into the myocardium of the failing left ventricle (LV) are currently being developed, which may reduce elevated myofiber stresses during the cardiac cycle and act to retard the progression of heart failure. A finite element (FE) simulation-based method was developed in this study that can automatically optimize the injection pattern of the polymeric "inclusions" according to a specific objective function, using commercially available software tools. The FE preprocessor TRUEGRID((R)) was used to create a parametric axisymmetric LV mesh matched to experimentally measured end-diastole and end-systole metrics from dogs with coronary microembolization-induced heart failure. Passive and active myocardial material properties were defined by a pseudo-elastic-strain energy function and a time-varying elastance model of active contraction, respectively, that were implemented in the FE software LS-DYNA. The companion optimization software LS-OPT was used to communicate directly with TRUEGRID((R)) to determine FE model parameters, such as defining the injection pattern and inclusion characteristics. The optimization resulted in an intuitive optimal injection pattern (i.e., the one with the greatest number of inclusions) when the objective function was weighted to minimize mean end-diastolic and end-systolic myofiber stress and ignore LV stroke volume. In contrast, the optimization resulted in a nonintuitive optimal pattern (i.e., 3 inclusions longitudinallyx6 inclusions circumferentially) when both myofiber stress and stroke volume were incorporated into the objective function with different weights.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1406788-stochastic-simulation-isotopic-exchange-mechanisms-fe-ii-catalyzed-recrystallization-goethite','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1406788-stochastic-simulation-isotopic-exchange-mechanisms-fe-ii-catalyzed-recrystallization-goethite"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Zarzycki, Piotr; Rosso, Kevin M.</p> <p></p> <p>Understanding Fe(II)-catalyzed transformations of Fe(III)- (oxyhydr)oxides is critical for correctly interpreting stable isotopic distributions and for predicting the fate of metal ions in the environment. Recent Fe isotopic tracer experiments have shown that goethite undergoes rapid recrystallization without phase change when exposed to aqueous Fe(II). The proposed explanation is oxidation of sorbed Fe(II) and reductive Fe(II) release coupled 1:1 by electron conduction through crystallites. Given the availability of two tracer exchange data sets that explore pH and particle size effects (e.g., Handler et al. Environ. Sci. Technol. 2014, 48, 11302-11311; Joshi and Gorski Environ. Sci. Technol. 2016, 50, 7315-7324), wemore » developed a stochastic simulation that exactly mimics these experiments, while imposing the 1:1 constraint. We find that all data can be represented by this model, and unifying mechanistic information emerges. At pH 7.5 a rapid initial exchange is followed by slower exchange, consistent with mixed surface- and diffusion-limited kinetics arising from prominent particle aggregation. At pH 5.0 where aggregation and net Fe(II) sorption are minimal, that exchange is quantitatively proportional to available particle surface area and the density of sorbed Fe(II) is more readily evident. Our analysis reveals a fundamental atom exchange rate of ~10-5 Fe nm-2 s-1, commensurate with some of the reported reductive dissolution rates of goethite, suggesting Fe(II) release is the rate-limiting step in the conduction mechanism during recrystallization.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018SSSci..80..132P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018SSSci..80..132P"><span>Charge dynamics of 57Fe probe atoms in La2Li0.5Cu0.5O4</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Presniakov, I. A.; Sobolev, A. V.; Rusakov, V. S.; Moskvin, A. S.; Baranov, A. V.</p> <p>2018-06-01</p> <p>The objective of this study is to characterize the electronic state and local surrounding of 57Fe Mössbauer probe atoms within iron-doped layered perovskite La2Li0.5Cu0.5O4 containing transition metal in unusual formal oxidation states "+3". An approach based on the qualitative energy diagrams analysis and the calculations within the cluster configuration interaction method have been developed. It was shown that a large amount of charge is transferred via Cu-O bonds from the O: 2p bands to the Cu: 3d orbitals and the ground state is dominated by the d9L configuration ("Cu2+-O-" state). The dominant d9L ground state for the (CuO6) sublattice induces in the environment of the 57Fe probe cations a charge transfer Fe3+ + O-(L) → Fe4+ + O2-, which transforms "Fe3+" into "Fe4+" state. The experimental spectra in the entire temperature range 77-300 K were described with the use of the stochastic two-level model based on the assumption of dynamic equilibrium between two Fe3+↔Fe4+ valence states related to the iron atom in the [Fe(1)O4]4- center. The relaxation frequencies and activation energies of the corresponding charge fluctuations were estimated based on Mössbauer data. The results are discussed assuming a temperature-induced change in the electronic state of the [CuO4]5- clusters in the layered perovskite.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/5510703','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/5510703"><span>Finite-element three-dimensional ground-water (FE3DGW) flow model - formulation, program listings and users' manual</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Gupta, S.K.; Cole, C.R.; Bond, F.W.</p> <p>1979-12-01</p> <p>The Assessment of Effectiveness of Geologic Isolation Systems (AEGIS) Program is developing and applying the methodology for assessing the far-field, long-term post-closure safety of deep geologic nuclear waste repositories. AEGIS is being performed by Pacific Northwest Laboratory (PNL) under contract with the Office of Nuclear Waste Isolation (OWNI) for the Department of Energy (DOE). One task within AEGIS is the development of methodology for analysis of the consequences (water pathway) from loss of repository containment as defined by various release scenarios. Analysis of the long-term, far-field consequences of release scenarios requires the application of numerical codes which simulate the hydrologicmore » systems, model the transport of released radionuclides through the hydrologic systems to the biosphere, and, where applicable, assess the radiological dose to humans. Hydrologic and transport models are available at several levels of complexity or sophistication. Model selection and use are determined by the quantity and quality of input data. Model development under AEGIS and related programs provides three levels of hydrologic models, two levels of transport models, and one level of dose models (with several separate models). This document consists of the description of the FE3DGW (Finite Element, Three-Dimensional Groundwater) Hydrologic model third level (high complexity) three-dimensional, finite element approach (Galerkin formulation) for saturated groundwater flow.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017ApSS..423..383J','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017ApSS..423..383J"><span>Synthesis of a novel magnetic Fe3O4/γ-Al2O3 hybrid composite using electrode-alternation technique for the removal of an azo dye</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Jung, Kyung-Won; Choi, Brian Hyun; Ahn, Kyu-Hong; Lee, Sang-Hyup</p> <p>2017-11-01</p> <p>A novel magnetic adsorbent of Fe3O4/γ-Al2O3 hybrid composite (denoted as M-Fe/Al-H) was developed electrochemically via a sequential application of iron and aluminum electrodes in a one-pot fashion, which called here as electrode-alternation technique, followed by pyrolysis. Physical and chemical properties of the prepared adsorbents were characterized and their feasibility towards the removal of di-anionic azo dye Acid Black 1 (AB1) was assessed. Textural and structural characterization revealed that the prepared M-Fe/Al-H possesses superior properties than those of M-Fe (sole usage of iron electrode), which may improve the adsorption capacity. Kinetics revealed that the adsorption equilibrium was reached within 12 h with approximately 90% of the equilibrium adsorption capacity within the first 3 h. Comprehensive analysis using the pseudo-second order and intraparticle diffusion models indicated that the dominant mechanism of the reaction is film diffusion with intraparticle diffusion being the rate determining step. The adsorption equilibrium isotherm data were best represented by the Sips isotherm model, which found to be approximately 1501, 1786, and 1959 mg/g at 283, 293, and 303 K, respectively. The exceptional performance as well as its ease of separation allows M-Fe/Al-H to be a promising candidate as an effective for azo dye removal from various aqueous medium.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27147333','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27147333"><span>Finite-element modeling of compression and gravity on a population of breast phantoms for multimodality imaging simulation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sturgeon, Gregory M; Kiarashi, Nooshin; Lo, Joseph Y; Samei, E; Segars, W P</p> <p>2016-05-01</p> <p>The authors are developing a series of computational breast phantoms based on breast CT data for imaging research. In this work, the authors develop a program that will allow a user to alter the phantoms to simulate the effect of gravity and compression of the breast (craniocaudal or mediolateral oblique) making the phantoms applicable to multimodality imaging. This application utilizes a template finite-element (FE) breast model that can be applied to their presegmented voxelized breast phantoms. The FE model is automatically fit to the geometry of a given breast phantom, and the material properties of each element are set based on the segmented voxels contained within the element. The loading and boundary conditions, which include gravity, are then assigned based on a user-defined position and compression. The effect of applying these loads to the breast is computed using a multistage contact analysis in FEBio, a freely available and well-validated FE software package specifically designed for biomedical applications. The resulting deformation of the breast is then applied to a boundary mesh representation of the phantom that can be used for simulating medical images. An efficient script performs the above actions seamlessly. The user only needs to specify which voxelized breast phantom to use, the compressed thickness, and orientation of the breast. The authors utilized their FE application to simulate compressed states of the breast indicative of mammography and tomosynthesis. Gravity and compression were simulated on example phantoms and used to generate mammograms in the craniocaudal or mediolateral oblique views. The simulated mammograms show a high degree of realism illustrating the utility of the FE method in simulating imaging data of repositioned and compressed breasts. The breast phantoms and the compression software can become a useful resource to the breast imaging research community. These phantoms can then be used to evaluate and compare imaging modalities that involve different positioning and compression of the breast.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20060033764&hterms=finite+element+muscle&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D40%26Ntt%3Dfinite%2Belement%2Bmuscle','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20060033764&hterms=finite+element+muscle&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D40%26Ntt%3Dfinite%2Belement%2Bmuscle"><span>Ultrasonic Motors (USM) - an emerging actuation technology for planetary applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Bao, X.; Das, H.</p> <p>2000-01-01</p> <p>A hybrid model that addressed a complete ultrasonic motor as a system was developed. The model allows using powerful commercial FE package to express dynamic characteristics of the stator and the rotor in engineering practice. An analog model couples the finite element models for the stator and rotor for the stator-interface layer-rotor syste. The model provides reasonably accurate results for CAD.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MSSP...93..661A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MSSP...93..661A"><span>Bayesian nonlinear structural FE model and seismic input identification for damage assessment of civil structures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Astroza, Rodrigo; Ebrahimian, Hamed; Li, Yong; Conte, Joel P.</p> <p>2017-09-01</p> <p>A methodology is proposed to update mechanics-based nonlinear finite element (FE) models of civil structures subjected to unknown input excitation. The approach allows to jointly estimate unknown time-invariant model parameters of a nonlinear FE model of the structure and the unknown time histories of input excitations using spatially-sparse output response measurements recorded during an earthquake event. The unscented Kalman filter, which circumvents the computation of FE response sensitivities with respect to the unknown model parameters and unknown input excitations by using a deterministic sampling approach, is employed as the estimation tool. The use of measurement data obtained from arrays of heterogeneous sensors, including accelerometers, displacement sensors, and strain gauges is investigated. Based on the estimated FE model parameters and input excitations, the updated nonlinear FE model can be interrogated to detect, localize, classify, and assess damage in the structure. Numerically simulated response data of a three-dimensional 4-story 2-by-1 bay steel frame structure with six unknown model parameters subjected to unknown bi-directional horizontal seismic excitation, and a three-dimensional 5-story 2-by-1 bay reinforced concrete frame structure with nine unknown model parameters subjected to unknown bi-directional horizontal seismic excitation are used to illustrate and validate the proposed methodology. The results of the validation studies show the excellent performance and robustness of the proposed algorithm to jointly estimate unknown FE model parameters and unknown input excitations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014AGUFMSA24A..01C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014AGUFMSA24A..01C"><span>Plasma-Neutral Coupling on the Dark and Bright Sides of Antarctica</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chu, X.; Yu, Z.; Fong, W.; Chen, C.; Zhao, J.; Huang, W.; Roberts, B. R.; Fuller-Rowell, T. J.; Richmond, A. D.; Gerrard, A. J.; Weatherwax, A. T.; Gardner, C. S.</p> <p>2014-12-01</p> <p>The polar mesosphere and thermosphere provide a unique natural laboratory for studying the complex physical, chemical, neutral dynamical and electrodynamics processes in the Earth's atmosphere and space environment. McMurdo (geographic 77.83S, geomagnetic 80S) is located by the poleward edge of the aurora oval; so energetic particles may penetrate into the lower thermosphere and mesosphere along nearly vertical geomagnetic field lines. Lidar observations at McMurdo from December 2010 to 2014 have discovered several neutral atmosphere phenomena closely related to ionosphereic parameters and geomagnetic activity. For example, the diurnal tidal amplitude of temperatures not only increases super-exponentially from 100 to 110 km but also its growth rate becomes larger at larger Kp index. The lidar discovery of neutral iron (Fe) layers with gravity wave signatures in the thermosphere enabled the direct measurements of neutral temperatures from 30 to 170 km, revealing the neutral-ion coupling and aurora-enhanced Joule heating. A lidar 'marathon' of 174-hour continuous observations showed dramatic changes of composition (Fe atoms and ice particles) densities (over 40 times) in the mesopause region and their correlations to solar events. In this paper we will study the plasma-neutral coupling on the dark side of Antarctica via observation analysis and numerical modeling of the thermospheric Fe layers in the 100-200 km. A newly developed thermospheric Fe/Fe+ model is used to quantify how Fe+ ions are transported from their main deposition region to the E-F region and then neutralized to form Fe layers under dark polar conditions. We will also study the plasma-neutral coupling on the bright side of Antarctica via analyzing Fe events in summer. Complementary observations will be combined to show how the extreme changes of Fe layers are related to aurora particle precipitation and visible/sub-visible ice particles. These observations and studies will open new areas of scientific inquiry regarding the composition, chemistry, neutral dynamics, thermodynamics, and electrodynamics of one of the least-understood regions in the atmosphere.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015AGUFM.H43F1566K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015AGUFM.H43F1566K"><span>Effects of Coating Materials and Mineral Additives on Nitrate Reduction by Zerovalent Iron</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kim, K. H.; Jeong, H. Y.; Lee, S.; Kang, N.; Choi, H. J.; Park, M.</p> <p>2015-12-01</p> <p>In efforts to facilitate nitrate removal, a variety of coating materials and mineral additives were assessed for their effects on the nitrate reduction by zerovalent iron (ZVI). Coated ZVIs were prepared by reacting Fe particles with Cr(III), Co(II), Ni(II), Cu(II), and S(-II) solutions under anoxic conditions, with the resultant materials named Cr/Fe, Co/Fe, Ni/Fe, Cu/Fe, and FeS/Fe, respectively. The mineral additives used, synthesized or purchased, included goethite, magnetite, and hydrous ferric oxide (HFO). Kinetic experiments were performed using air-tight serum vials containing 1.0 g Fe (uncoated or coated forms) in 15 mL of 100 mg NO3×N/L solutions with pH buffered at 7.0. To monitor the reaction progress, the solution phase was analyzed for NO3-, NO2-, and NH4+ on an ion chromatography, while the headspace was analyzed for H2, N2, and O2 on a gas chromatography. By uncoated Fe, ca. 60% of nitrate was reductively transformed for 3.6 h, with NH4+ being the predominant product. Compared with uncoated one, Cr/Fe, Co/Fe, and Cu/Fe showed faster removal rates of nitrate. The observed reactivity enhancement was thought to result from additional reduction of nitrate by H atoms adsorbed on the surface of Cr, Co, or Cu metal. In contrast, both Ni/Fe and FeS/Fe showed slower removal of nitrate than uncoated Fe. In both cases, the coating, which highly disfavors the adsorption of nitrate, would form on the Fe surface. When goethite, HFO, and magnetite were amended, the nitrate reduction by Fe was significantly increased, with the effect being most evident with HFO. Although not capable of reducing nitrate, the mineral additives would serve as crystal nuclei for the corrosion products of Fe, thus making the development of passivation layers on the Fe surface less. In the future, we will perform a kinetic modeling of the experimental data to assess the relative contribution of multiple reaction paths in the nitrate reduction by Fe.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29035257','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29035257"><span>Southern Ocean biological iron cycling in the pre-whaling and present ecosystems.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Maldonado, Maria T; Surma, Szymon; Pakhomov, Evgeny A</p> <p>2016-11-28</p> <p>This study aimed to create the first model of biological iron (Fe) cycling in the Southern Ocean food web. Two biomass mass-balanced Ecopath models were built to represent pre- and post-whaling ecosystem states (1900 and 2008). Functional group biomasses (tonnes wet weight km -2 ) were converted to biogenic Fe pools (kg Fe km -2 ) using published Fe content ranges. In both models, biogenic Fe pools and consumption in the pelagic Southern Ocean were highest for plankton and small nektonic groups. The production of plankton biomass, particularly unicellular groups, accounted for the highest annual Fe demand. Microzooplankton contributed most to biological Fe recycling, followed by carnivorous zooplankton and krill. Biological Fe recycling matched previous estimates, and, under most conditions, could entirely meet the Fe demand of bacterioplankton and phytoplankton. Iron recycling by large baleen whales was reduced 10-fold by whaling between 1900 and 2008. However, even under the 1900 scenario, the contribution of whales to biological Fe recycling was negligible compared with that of planktonic consumers. These models are a first step in examining oceanic-scale biological Fe cycling, highlighting gaps in our present knowledge and key questions for future research on the role of marine food webs in the cycling of trace elements in the sea.This article is part of the themed issue 'Biological and climatic impacts of ocean trace element chemistry'. © 2016 The Author(s).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016GeoRL..43.2732R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016GeoRL..43.2732R"><span>Volcanic ash as an oceanic iron source and sink</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rogan, Nicholas; Achterberg, Eric P.; Le Moigne, Frédéric A. C.; Marsay, Chris M.; Tagliabue, Alessandro; Williams, Richard G.</p> <p>2016-03-01</p> <p>Volcanic ash deposition to the ocean forms a natural source of iron (Fe) to surface water microbial communities. Inputs of lithogenic material may also facilitate Fe removal through scavenging. Combining dissolved Fe (dFe) and thorium-234 observations alongside modeling, we investigate scavenging of Fe in the North Atlantic following the Eyjafjallajökull volcanic eruption. Under typical conditions biogenic particles dominate scavenging, whereas ash particles dominate during the eruption. The size of particles is important as smaller scavenging particles can become saturated with surface-associated ions. Model simulations indicate that ash deposition associated with Eyjafjallajökull likely led to net Fe removal. Our model suggests a threefold greater stimulation of biological activity if ash deposition had occurred later in the growing season when the region was Fe limited. The implications of ash particle scavenging, eruption timing, and particle saturation need to be considered when assessing the impact of ash deposition on the ocean Fe cycle and productivity.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/20674456','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/20674456"><span>Influence of mesh density, cortical thickness and material properties on human rib fracture prediction.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Li, Zuoping; Kindig, Matthew W; Subit, Damien; Kent, Richard W</p> <p>2010-11-01</p> <p>The purpose of this paper was to investigate the sensitivity of the structural responses and bone fractures of the ribs to mesh density, cortical thickness, and material properties so as to provide guidelines for the development of finite element (FE) thorax models used in impact biomechanics. Subject-specific FE models of the second, fourth, sixth and tenth ribs were developed to reproduce dynamic failure experiments. Sensitivity studies were then conducted to quantify the effects of variations in mesh density, cortical thickness, and material parameters on the model-predicted reaction force-displacement relationship, cortical strains, and bone fracture locations for all four ribs. Overall, it was demonstrated that rib FE models consisting of 2000-3000 trabecular hexahedral elements (weighted element length 2-3mm) and associated quadrilateral cortical shell elements with variable thickness more closely predicted the rib structural responses and bone fracture force-failure displacement relationships observed in the experiments (except the fracture locations), compared to models with constant cortical thickness. Further increases in mesh density increased computational cost but did not markedly improve model predictions. A ±30% change in the major material parameters of cortical bone lead to a -16.7 to 33.3% change in fracture displacement and -22.5 to +19.1% change in the fracture force. The results in this study suggest that human rib structural responses can be modeled in an accurate and computationally efficient way using (a) a coarse mesh of 2000-3000 solid elements, (b) cortical shells elements with variable thickness distribution and (c) a rate-dependent elastic-plastic material model. Copyright © 2010 IPEM. Published by Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://pubs.er.usgs.gov/publication/70139559','USGSPUBS'); return false;" href="https://pubs.er.usgs.gov/publication/70139559"><span>Arsenic cycling in hydrocarbon plumes: secondary effects of natural attenuation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://pubs.er.usgs.gov/pubs/index.jsp?view=adv">USGS Publications Warehouse</a></p> <p>Cozzarelli, Isabelle M.; Schreiber, Madeline E.; Erickson, Melinda L.; Ziegler, Brady A.</p> <p>2016-01-01</p> <p>Monitored natural attenuation is widely applied as a remediation strategy at hydrocarbon spill sites. Natural attenuation relies on biodegradation of hydrocarbons coupled with reduction of electron acceptors, including solid phase ferric iron (Fe(III)). Because arsenic (As) adsorbs to Fe-hydroxides, a potential secondary effect of natural attenuation of hydrocarbons coupled with Fe(III) reduction is a release of naturally occurring As to groundwater. At a crude-oil-contaminated aquifer near Bemidji, Minnesota, anaerobic biodegradation of hydrocarbons coupled to Fe(III) reduction has been well documented. We collected groundwater samples at the site annually from 2009 to 2013 to examine if As is released to groundwater and, if so, to document relationships between As and Fe inside and outside of the dissolved hydrocarbon plume. Arsenic concentrations in groundwater in the plume reached 230 µg/L, whereas groundwater outside the plume contained less than 5 µg/L As. Combined with previous data from the Bemidji site, our results suggest that (1) naturally occurring As is associated with Fe-hydroxides present in the glacially derived aquifer sediments; (2) introduction of hydrocarbons results in reduction of Fe-hydroxides, releasing As and Fe to groundwater; (3) at the leading edge of the plume, As and Fe are removed from groundwater and retained on sediments; and (4) downgradient from the plume, patterns of As and Fe in groundwater are similar to background. We develop a conceptual model of secondary As release due to natural attenuation of hydrocarbons that can be applied to other sites where an influx of biodegradable organic carbon promotes Fe(III) reduction.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25612004','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25612004"><span>Arsenic Cycling in Hydrocarbon Plumes: Secondary Effects of Natural Attenuation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cozzarelli, Isabelle M; Schreiber, Madeline E; Erickson, Melinda L; Ziegler, Brady A</p> <p>2016-01-01</p> <p>Monitored natural attenuation is widely applied as a remediation strategy at hydrocarbon spill sites. Natural attenuation relies on biodegradation of hydrocarbons coupled with reduction of electron acceptors, including solid phase ferric iron (Fe(III)). Because arsenic (As) adsorbs to Fe-hydroxides, a potential secondary effect of natural attenuation of hydrocarbons coupled with Fe(III) reduction is a release of naturally occurring As to groundwater. At a crude-oil-contaminated aquifer near Bemidji, Minnesota, anaerobic biodegradation of hydrocarbons coupled to Fe(III) reduction has been well documented. We collected groundwater samples at the site annually from 2009 to 2013 to examine if As is released to groundwater and, if so, to document relationships between As and Fe inside and outside of the dissolved hydrocarbon plume. Arsenic concentrations in groundwater in the plume reached 230 µg/L, whereas groundwater outside the plume contained less than 5 µg/L As. Combined with previous data from the Bemidji site, our results suggest that (1) naturally occurring As is associated with Fe-hydroxides present in the glacially derived aquifer sediments; (2) introduction of hydrocarbons results in reduction of Fe-hydroxides, releasing As and Fe to groundwater; (3) at the leading edge of the plume, As and Fe are removed from groundwater and retained on sediments; and (4) downgradient from the plume, patterns of As and Fe in groundwater are similar to background. We develop a conceptual model of secondary As release due to natural attenuation of hydrocarbons that can be applied to other sites where an influx of biodegradable organic carbon promotes Fe(III) reduction. © 2015, National Ground Water Association.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MSSP...84..194E','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MSSP...84..194E"><span>Nonlinear finite element model updating for damage identification of civil structures using batch Bayesian estimation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ebrahimian, Hamed; Astroza, Rodrigo; Conte, Joel P.; de Callafon, Raymond A.</p> <p>2017-02-01</p> <p>This paper presents a framework for structural health monitoring (SHM) and damage identification of civil structures. This framework integrates advanced mechanics-based nonlinear finite element (FE) modeling and analysis techniques with a batch Bayesian estimation approach to estimate time-invariant model parameters used in the FE model of the structure of interest. The framework uses input excitation and dynamic response of the structure and updates a nonlinear FE model of the structure to minimize the discrepancies between predicted and measured response time histories. The updated FE model can then be interrogated to detect, localize, classify, and quantify the state of damage and predict the remaining useful life of the structure. As opposed to recursive estimation methods, in the batch Bayesian estimation approach, the entire time history of the input excitation and output response of the structure are used as a batch of data to estimate the FE model parameters through a number of iterations. In the case of non-informative prior, the batch Bayesian method leads to an extended maximum likelihood (ML) estimation method to estimate jointly time-invariant model parameters and the measurement noise amplitude. The extended ML estimation problem is solved efficiently using a gradient-based interior-point optimization algorithm. Gradient-based optimization algorithms require the FE response sensitivities with respect to the model parameters to be identified. The FE response sensitivities are computed accurately and efficiently using the direct differentiation method (DDM). The estimation uncertainties are evaluated based on the Cramer-Rao lower bound (CRLB) theorem by computing the exact Fisher Information matrix using the FE response sensitivities with respect to the model parameters. The accuracy of the proposed uncertainty quantification approach is verified using a sampling approach based on the unscented transformation. Two validation studies, based on realistic structural FE models of a bridge pier and a moment resisting steel frame, are performed to validate the performance and accuracy of the presented nonlinear FE model updating approach and demonstrate its application to SHM. These validation studies show the excellent performance of the proposed framework for SHM and damage identification even in the presence of high measurement noise and/or way-out initial estimates of the model parameters. Furthermore, the detrimental effects of the input measurement noise on the performance of the proposed framework are illustrated and quantified through one of the validation studies.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015SPIE.9435E..0TA','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015SPIE.9435E..0TA"><span>Stochastic filtering for damage identification through nonlinear structural finite element model updating</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Astroza, Rodrigo; Ebrahimian, Hamed; Conte, Joel P.</p> <p>2015-03-01</p> <p>This paper describes a novel framework that combines advanced mechanics-based nonlinear (hysteretic) finite element (FE) models and stochastic filtering techniques to estimate unknown time-invariant parameters of nonlinear inelastic material models used in the FE model. Using input-output data recorded during earthquake events, the proposed framework updates the nonlinear FE model of the structure. The updated FE model can be directly used for damage identification and further used for damage prognosis. To update the unknown time-invariant parameters of the FE model, two alternative stochastic filtering methods are used: the extended Kalman filter (EKF) and the unscented Kalman filter (UKF). A three-dimensional, 5-story, 2-by-1 bay reinforced concrete (RC) frame is used to verify the proposed framework. The RC frame is modeled using fiber-section displacement-based beam-column elements with distributed plasticity and is subjected to the ground motion recorded at the Sylmar station during the 1994 Northridge earthquake. The results indicate that the proposed framework accurately estimate the unknown material parameters of the nonlinear FE model. The UKF outperforms the EKF when the relative root-mean-square error of the recorded responses are compared. In addition, the results suggest that the convergence of the estimate of modeling parameters is smoother and faster when the UKF is utilized.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29329309','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29329309"><span>Time series sightability modeling of animal populations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>ArchMiller, Althea A; Dorazio, Robert M; St Clair, Katherine; Fieberg, John R</p> <p>2018-01-01</p> <p>Logistic regression models-or "sightability models"-fit to detection/non-detection data from marked individuals are often used to adjust for visibility bias in later detection-only surveys, with population abundance estimated using a modified Horvitz-Thompson (mHT) estimator. More recently, a model-based alternative for analyzing combined detection/non-detection and detection-only data was developed. This approach seemed promising, since it resulted in similar estimates as the mHT when applied to data from moose (Alces alces) surveys in Minnesota. More importantly, it provided a framework for developing flexible models for analyzing multiyear detection-only survey data in combination with detection/non-detection data. During initial attempts to extend the model-based approach to multiple years of detection-only data, we found that estimates of detection probabilities and population abundance were sensitive to the amount of detection-only data included in the combined (detection/non-detection and detection-only) analysis. Subsequently, we developed a robust hierarchical modeling approach where sightability model parameters are informed only by the detection/non-detection data, and we used this approach to fit a fixed-effects model (FE model) with year-specific parameters and a temporally-smoothed model (TS model) that shares information across years via random effects and a temporal spline. The abundance estimates from the TS model were more precise, with decreased interannual variability relative to the FE model and mHT abundance estimates, illustrating the potential benefits from model-based approaches that allow information to be shared across years.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2001CoMP..141..659S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2001CoMP..141..659S"><span>Ferric iron partitioning between plagioclase and silicate liquid: thermodynamics and petrological applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sugawara, Toru</p> <p>2001-06-01</p> <p>A series of Fe and Mg partition experiments between plagioclase and silicate liquid were performed in the system SiO2-Al2O3-Fe2O3-FeO-MgO-CaO-Na2O under oxygen fugacities from below the IW buffer up to that of air. A thermodynamic model of plagioclase solid solution for the (CaAl,NaSi,KSi)(Fe3+,Al3+)Si2O8-Ca(Fe2+,Mg)Si3O8 system is proposed and is calibrated by regression analysis based on new and previously reported experimental data of Fe and Mg partitioning between plagioclase and silicate liquid, and reported thermodynamic properties of end members, ternary feldspar and silicate liquid. Using the derived thermodynamic model, FeOt, MgO content and Mg/(Fet+Mg) in plagioclase can be predicted from liquid composition with standard deviations of +/-0.34 wt% (relative error =9%) and +/-0.08 wt% (14%) and +/-0.7 (8%) respectively. Calculated Fe3+-Al exchange chemical potentials of plagioclase, $μ { Fe{ 3 + } ( {Al} ){ - 1} }{ Pl} agree with those calculated using reported thermodynamic models for multicomponent spinel, μ { Fe{ 3 + } ( {Al} ){ - 1} }{ Sp} and clinopyroxene, μ { Fe{ 3 + } ( {Al} ){ - 1} }{ Cpx} $ . The FeOt content of plagioclase coexisting with spinel or clinopyroxene is affected by Fe3+/(Fe3++Al) and Mg/(Fe+Mg) of spinel or clinopyroxene and temperature, while it is independent of the anorthite content of plagioclase. Three oxygen barometers based on the proposed model are investigated. Although the oxygen fugacities predicted by the plagioclase-liquid oxygen barometer are scattered, this study found that plagioclase-spinel-clinopyroxene-oxygen and plagioclase-olivine-oxygen equilibria can be used as practical oxygen barometers. As a petrological application, prediction of plagioclase composition and fO2 are carried out for the Upper Zone of the Skaergaard intrusion. The estimated oxygen fugacities are well below QFM buffer and consistent with the estimation of oxidization states in previous studies.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li class="active"><span>19</span></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_19 --> <div id="page_20" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li class="active"><span>20</span></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="381"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015AcAau.108...40W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015AcAau.108...40W"><span>Early changes in vascular reactivity in response to 56Fe irradiation in ApoE-/- mice</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>White, C. Roger; Yu, Tao; Gupta, Kiran; Babitz, Stephen K.; Black, Leland L.; Kabarowski, Janusz H.; Kucik, Dennis F.</p> <p>2015-03-01</p> <p>Epidemiological studies have established that radiation from a number of terrestrial sources increases the risk of atherosclerosis. The accelerated heavy ions in the galacto-cosmic radiation (GCR) that astronauts will encounter on in space, however, interact very differently with tissues than most types of terrestrial radiation, so the health consequences of exposure on deep-space missions are not clear. We demonstrated earlier that 56Fe, an important component of cosmic radiation, accelerates atherosclerotic plaque development. In the present study, we examined an earlier, pro-atherogenic event that might be predictive of later atherosclerotic disease. Decreased endothelium-dependent vasodilation is a prominent manifestation of vascular dysfunction that is thought to predispose humans to the development of structural vascular changes that precede the development of atherosclerotic plaques. To test the effect of heavy-ion radiation on endothelium-dependent vasodilation, we used the same ApoE-/- mouse model in which we previously demonstrated the pro-atherogenic effect of 56Fe on plaque development. Ten week old male ApoE mice (an age at which there is little atherosclerotic plaque in the descending aorta) were exposed to 2.6 Gy 56Fe. The mice were then fed a normal diet and housed under standard conditions. At 4-5 weeks post-irradiation, aortic rings were isolated and endothelial-dependent relaxation was measured. Relaxation in response to acetylcholine was significantly impaired in irradiated mice compared to age-matched, un-irradiated mice. This decrease in vascular reactivity following 56Fe irradiation occurred eight weeks prior to the development of statistically significant exacerbation of aortic plaque formation and may contribute to the formation of later atherosclerotic lesions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23651082','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23651082"><span>Development of land use regression models for particle composition in twenty study areas in Europe.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>de Hoogh, Kees; Wang, Meng; Adam, Martin; Badaloni, Chiara; Beelen, Rob; Birk, Matthias; Cesaroni, Giulia; Cirach, Marta; Declercq, Christophe; Dėdelė, Audrius; Dons, Evi; de Nazelle, Audrey; Eeftens, Marloes; Eriksen, Kirsten; Eriksson, Charlotta; Fischer, Paul; Gražulevičienė, Regina; Gryparis, Alexandros; Hoffmann, Barbara; Jerrett, Michael; Katsouyanni, Klea; Iakovides, Minas; Lanki, Timo; Lindley, Sarah; Madsen, Christian; Mölter, Anna; Mosler, Gioia; Nádor, Gizella; Nieuwenhuijsen, Mark; Pershagen, Göran; Peters, Annette; Phuleria, Harisch; Probst-Hensch, Nicole; Raaschou-Nielsen, Ole; Quass, Ulrich; Ranzi, Andrea; Stephanou, Euripides; Sugiri, Dorothea; Schwarze, Per; Tsai, Ming-Yi; Yli-Tuomi, Tarja; Varró, Mihály J; Vienneau, Danielle; Weinmayr, Gudrun; Brunekreef, Bert; Hoek, Gerard</p> <p>2013-06-04</p> <p>Land Use Regression (LUR) models have been used to describe and model spatial variability of annual mean concentrations of traffic related pollutants such as nitrogen dioxide (NO2), nitrogen oxides (NOx) and particulate matter (PM). No models have yet been published of elemental composition. As part of the ESCAPE project, we measured the elemental composition in both the PM10 and PM2.5 fraction sizes at 20 sites in each of 20 study areas across Europe. LUR models for eight a priori selected elements (copper (Cu), iron (Fe), potassium (K), nickel (Ni), sulfur (S), silicon (Si), vanadium (V), and zinc (Zn)) were developed. Good models were developed for Cu, Fe, and Zn in both fractions (PM10 and PM2.5) explaining on average between 67 and 79% of the concentration variance (R(2)) with a large variability between areas. Traffic variables were the dominant predictors, reflecting nontailpipe emissions. Models for V and S in the PM10 and PM2.5 fractions and Si, Ni, and K in the PM10 fraction performed moderately with R(2) ranging from 50 to 61%. Si, NI, and K models for PM2.5 performed poorest with R(2) under 50%. The LUR models are used to estimate exposures to elemental composition in the health studies involved in ESCAPE.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26126995','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26126995"><span>Statistical modeling of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ushakov, Vladimir G; Troe, Jürgen; Johnson, Ryan S; Guo, Hua; Ard, Shaun G; Melko, Joshua J; Shuman, Nicholas S; Viggiano, Albert A</p> <p>2015-08-14</p> <p>The rates of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2 are modeled by statistical rate theory accounting for energy- and angular momentum-specific rate constants for formation of the primary and secondary cationic adducts and their backward and forward reactions. The reactions are both suggested to proceed on sextet and quartet potential energy surfaces with efficient, but probably not complete, equilibration by spin-inversion of the populations of the sextet and quartet adducts. The influence of spin-inversion on the overall reaction rate is investigated. The differences of the two reaction rates mostly are due to different numbers of entrance states (atom + linear rotor or linear rotor + linear rotor, respectively). The reaction Fe(+) + N2O was studied either with (6)Fe(+) or with (4)Fe(+) reactants. Differences in the rate constants of (6)Fe(+) and (4)Fe(+) reacting with N2O are attributed to different contributions from electronically excited potential energy surfaces, such as they originate from the open-electronic shell reactants.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010JPhCS.200g2068Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010JPhCS.200g2068Y"><span>Ab Initio calculation on magnetism of monatomic Fe nanowire on Au (111) surface</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yasui, Takashi; Nawate, Masahiko</p> <p>2010-01-01</p> <p>The magnetic anisotropy of the one-dimensional monatomic Fe wire on the Au (111) texture has been theoretically analyzed using Wien2k flamework. The model simulates experimentally observed ferromagnetic Fe monatomic wire self-organized along the terrace edge of the Au (788) plane, which exhibits the magnetizaiton perpendicular both the wire and Au plane. In the case of the model consisting the one-dimensional Fe wire placed on the Au (111) plane with the Au lattice cite, no significant anisotropy is resulted by the calculation. On the other hand, the model where the Fe wire is formed along the Au terrace like step indicates the anisotropy of which easy direction is along the wire, resulting in differenct direction from the experiment. When we introduce the disorder in the Fe wire array, the easy direction changes. As for the model that the every other Fe atoms are slightly closer to the Au step (approx 0.0091 nm) the easy direction turns to be perpendicular to the wire and parallel to the Au plane, that is, the dislocation direction. The disorder in the Fe wire seems to play significant roll in the anisotropy.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015Nanos...720757F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015Nanos...720757F"><span>Facile preparation of uniform FeSe2 nanoparticles for PA/MR dual-modal imaging and photothermal cancer therapy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Fu, Tingting; Chen, Yuyan; Hao, Jiali; Wang, Xiaoyong; Liu, Gang; Li, Yonggang; Liu, Zhuang; Cheng, Liang</p> <p>2015-12-01</p> <p>Recently, magnetic photothermal nanomaterials have emerged as a new class of bio-nanomaterials for application in cancer diagnosis and therapy. Hence, we developed a new kind of magnetic nanomaterials, iron diselenide (FeSe2) nanoparticles, for multimodal imaging-guided photothermal therapy (PTT) to improve the efficacy of cancer treatment. By controlling the reaction time and temperature, FeSe2 nanoparticles were synthesized by a simple solution-phase method. After modification with polyethylene glycol (PEG), the obtained FeSe2-PEG nanoparticles showed high stability under various physiological conditions. FeSe2-PEG could serve as a T2-weighted magnetic resonance (MR) imaging contrast agent because of its strong superparamagnetic properties, with its r2 relaxivity determined to be 133.38 mM-1 S-1, a value higher than that of the clinically used Feridex. On the other hand, with high absorbance in the near-infrared (NIR) region, FeSe2-PEG also appeared to be a useful contrast agent for photoacoustic imaging (PA) as well as an effective photothermal agent for PTT cancer treatment, as demonstrated in our animal tumor model experiments. Moreover, long-term toxicity tests have proven that FeSe2-PEG nanoparticles after systematic administration rendered no appreciable toxicity to the treated animals, and could be gradually excreted from the major organs of mice. Our work indicates that FeSe2-PEG nanoparticles would be a new class of theranostic agents promising for application in bioimaging and cancer therapy.Recently, magnetic photothermal nanomaterials have emerged as a new class of bio-nanomaterials for application in cancer diagnosis and therapy. Hence, we developed a new kind of magnetic nanomaterials, iron diselenide (FeSe2) nanoparticles, for multimodal imaging-guided photothermal therapy (PTT) to improve the efficacy of cancer treatment. By controlling the reaction time and temperature, FeSe2 nanoparticles were synthesized by a simple solution-phase method. After modification with polyethylene glycol (PEG), the obtained FeSe2-PEG nanoparticles showed high stability under various physiological conditions. FeSe2-PEG could serve as a T2-weighted magnetic resonance (MR) imaging contrast agent because of its strong superparamagnetic properties, with its r2 relaxivity determined to be 133.38 mM-1 S-1, a value higher than that of the clinically used Feridex. On the other hand, with high absorbance in the near-infrared (NIR) region, FeSe2-PEG also appeared to be a useful contrast agent for photoacoustic imaging (PA) as well as an effective photothermal agent for PTT cancer treatment, as demonstrated in our animal tumor model experiments. Moreover, long-term toxicity tests have proven that FeSe2-PEG nanoparticles after systematic administration rendered no appreciable toxicity to the treated animals, and could be gradually excreted from the major organs of mice. Our work indicates that FeSe2-PEG nanoparticles would be a new class of theranostic agents promising for application in bioimaging and cancer therapy. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06840a</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1995GeCoA..59.2423E','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1995GeCoA..59.2423E"><span>The influence of structural fluorine on biotite oxidation in copper-bearing, aqueous solutions at low temperatures and pressures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Earley, Drummond, III; Darby Dyar, M.; Ilton, Eugene S.; Granthem, Allen A.</p> <p>1995-06-01</p> <p>High-F (5.4 wt%) and low-F (0.8 wt%) biotites were reacted with aqueous (Cu, Na 2)Cl 2 solutions at ambient conditions to investigate biotite oxidation mechanisms at low temperatures and pressures and at atmospheric pO 2. The exchange of Cu +2 for interlayer cations increases the rate of biotite oxidation under these conditions. Solid reactants and products were characterized by Mössbauer spectroscopy, X-ray diffraction, and comprehensive bulk chemical analyses. Even though both biotites were pretreated with a sodium tetraphenylboron (NaTPB) solution, which rapidly exchanges Na for K, only about 50% of the interlayer K was exchanged during most of these experiments. As a result, the exchange reactions produced variably expanded phases with d(001) ranging from approximately 10 to 14 Å. Octahedral Fe +2 in samples of high- and low-F biotite was oxidized rapidly during Cu exchange. The degree of Fe +2 oxidation amounted to about 50% of the total Fe in most experiments and was nearly independent of the total mass of Cu introduced into the interlayer which ranged from 2.0 to 9.2 wt% CuO. The Mössbauer spectra also show that the Fe +2 in M(1) octahedra of the high-F biotite was oxidized more slowly than Fe +2 in M(2) sites, whereas in the low-F biotite experiments M(1) Fe +2 was oxidized at a slightly faster rate than the Fe +2 in M(2) sites. Our study suggests that the total amount of Fe oxidized was limited by the amount of K exchanged, and that preferred oxidation of Fe +2 at M(2) sites relative to M(1) sites was a function of the F content of these biotites. Charge transfer from octahedral Fe +2 to the interlayer may be facilitated by deprotonation. In exchange experiments conducted on the F-rich biotite, Fe +2 oxidation at M(1) sites was limited indicating that preferential substitution of F for OH might occur at the M(1) site. We used the Fe-F avoidance law to develop an F-OH ordering model that preferentially distributes F on selected trans positions of Fe-filled M(1) octahedra in Fe- and F-rich biotites. If charge transfer is facilitated by the presence of OH then the proposed F-OH ordering model could account for the selective deactivation of the Fe +2 oxidation mechanism at the M(1) site.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007AdSpR..40..576R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007AdSpR..40..576R"><span>Dietary modulation of the effects of exposure to 56Fe particles</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rabin, B. M.; Joseph, J. A.; Shukitt-Hale, B.; Carey, A. N.</p> <p></p> <p>On exploratory missions to other planets, astronauts will be exposed to galactic cosmic rays composed of protons and heavy particles, such as 56Fe. Long-term exposure to these particles can cause cancer. However, there are significant uncertainties in the risk estimates for the probability of developing heavy particle-induced cancer, and in the amount of shielding needed to provide an adequate level of radiation protection. The results of this preliminary study, using a ground-based model for exposure to cosmic rays, show reduced tumorigenesis in rats maintained on diets containing blueberry or strawberry extract prior to exposure to 56Fe particles. Because the study was not initially designed to evaluate tumorigenesis following exposure to 56Fe particles, additional research is needed to evaluate the effectiveness of strawberry and blueberry supplementation. However, the preliminary results presented in this study suggest that diets containing antioxidant phytochemicals can provide additional radiation protection on interplanetary voyages.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3683099','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3683099"><span>Mathematical model of zinc absorption: effects of dietary calcium, protein and iron on zinc absorption</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Miller, Leland V.; Krebs, Nancy F.; Hambidge, K. Michael</p> <p>2013-01-01</p> <p>A previously described mathematical model of Zn absorption as a function of total daily dietary Zn and phytate was fitted to data from studies in which dietary Ca, Fe and protein were also measured. An analysis of regression residuals indicated statistically significant positive relationships between the residuals and Ca, Fe and protein, suggesting that the presence of any of these dietary components enhances Zn absorption. Based on the hypotheses that (1) Ca and Fe both promote Zn absorption by binding with phytate and thereby making it unavailable for binding Zn and (2) protein enhances the availability of Zn for transporter binding, the model was modified to incorporate these effects. The new model of Zn absorption as a function of dietary Zn, phytate, Ca, Fe and protein was then fitted to the data. The proportion of variation in absorbed Zn explained by the new model was 0·88, an increase from 0·82 with the original model. A reduced version of the model without Fe produced an equally good fit to the data and an improved value for the model selection criterion, demonstrating that when dietary Ca and protein are controlled for, there is no evidence that dietary Fe influences Zn absorption. Regression residuals and testing with additional data supported the validity of the new model. It was concluded that dietary Ca and protein modestly enhanced Zn absorption and Fe had no statistically discernable effect. Furthermore, the model provides a meaningful foundation for efforts to model nutrient interactions in mineral absorption. PMID:22617116</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22617116','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22617116"><span>Mathematical model of zinc absorption: effects of dietary calcium, protein and iron on zinc absorption.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Miller, Leland V; Krebs, Nancy F; Hambidge, K Michael</p> <p>2013-02-28</p> <p>A previously described mathematical model of Zn absorption as a function of total daily dietary Zn and phytate was fitted to data from studies in which dietary Ca, Fe and protein were also measured. An analysis of regression residuals indicated statistically significant positive relationships between the residuals and Ca, Fe and protein, suggesting that the presence of any of these dietary components enhances Zn absorption. Based on the hypotheses that (1) Ca and Fe both promote Zn absorption by binding with phytate and thereby making it unavailable for binding Zn and (2) protein enhances the availability of Zn for transporter binding, the model was modified to incorporate these effects. The new model of Zn absorption as a function of dietary Zn, phytate, Ca, Fe and protein was then fitted to the data. The proportion of variation in absorbed Zn explained by the new model was 0·88, an increase from 0·82 with the original model. A reduced version of the model without Fe produced an equally good fit to the data and an improved value for the model selection criterion, demonstrating that when dietary Ca and protein are controlled for, there is no evidence that dietary Fe influences Zn absorption. Regression residuals and testing with additional data supported the validity of the new model. It was concluded that dietary Ca and protein modestly enhanced Zn absorption and Fe had no statistically discernable effect. Furthermore, the model provides a meaningful foundation for efforts to model nutrient interactions in mineral absorption.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018E%26ES..128a2087J','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018E%26ES..128a2087J"><span>Research progress in photolectric materials of CuFeS2</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Jing, Mingxing; Li, Jing; Liu, Kegao</p> <p>2018-03-01</p> <p>CuFeS2 as a photoelectric material, there are many advantages, such as high optical absorption coefficient, direct gap semiconductor, thermal stability, no photo-recession effect and so on. Because of its low price, abundant reserves and non-toxic, CuFeS2 has attracted extensive attention of scientists.Preparation method of thin film solar cells are included that Electrodeposition, sputtering, thermal evaporation, thermal spraying method, co-reduction method.In this paper, the development of CuFeS2 thin films prepared by co-reduction method and co-reduction method is introduced.In this paper, the structure and development of solar cells, advantages of CuFeS2 as solar cell material, the structure and photoelectric properties and magnetic properties of CuFeS2, preparation process analysis of CuFeS2 thin film, research and development of CuFeS2 in solar cells is included herein. Finally, the development trend of CuFeS2 optoelectronic materials is analyzed and further research directions are proposed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25515053','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25515053"><span>Cortical bone drilling: An experimental and numerical study.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Alam, Khurshid; Bahadur, Issam M; Ahmed, Naseer</p> <p>2014-12-16</p> <p>Bone drilling is a common surgical procedure in orthopedics, dental and neurosurgeries. In conventional bone drilling process, the surgeon exerts a considerable amount of pressure to penetrate the drill into the bone tissue. Controlled penetration of drill in the bone is necessary for safe and efficient drilling. Development of a validated Finite Element (FE) model of cortical bone drilling. Drilling experiments were conducted on bovine cortical bone. The FE model of the bone drilling was based on mechanical properties obtained from literature data and additionally conducted microindentation tests on the cortical bone. The magnitude of stress in bone was found to decrease exponentially away from the lips of the drill in simulations. Feed rate was found to be the main influential factor affecting the force and torque in the numerical simulations and experiments. The drilling thrust force and torque were found to be unaffected by the drilling speed in numerical simulations. Simulated forces and torques were compared with experimental results for similar drilling conditions and were found in good agreement.CONCLUSIONS: FE schemes may be successfully applied to model complex kinematics of bone drilling process.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1379944-predictive-modeling-crystal-accumulation-high-level-waste-glass-melters-processing-radioactive-waste','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1379944-predictive-modeling-crystal-accumulation-high-level-waste-glass-melters-processing-radioactive-waste"><span>Predictive modeling of crystal accumulation in high-level waste glass melters processing radioactive waste</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Matyáš, Josef; Gervasio, Vivianaluxa; Sannoh, Sulaiman E.</p> <p></p> <p>We present that the effectiveness of high-level waste vitrification at Hanford's Waste Treatment and Immobilization Plant may be limited by precipitation/accumulation of spinel crystals [(Fe, Ni, Mn, Zn)(Fe, Cr) 2O 4] in the glass discharge riser of Joule-heated ceramic melters during idling. These crystals do not affect glass durability; however, if accumulated in thick layers, they can clog the melter and prevent discharge of molten glass into canisters. To address this problem, an empirical model was developed that can predict thicknesses of accumulated layers as a function of glass composition. This model predicts well the accumulation of single crystals and/ormore » small-scale agglomerates, but excessive agglomeration observed in high-Ni-Fe glass resulted in an underprediction of accumulated layers, which gradually worsened over time as an increased number of agglomerates formed. In conclusion, the accumulation rate of ~53.8 ± 3.7 μm/h determined for this glass will result in a ~26 mm-thick layer after 20 days of melter idling.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1982JAP....53..593R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1982JAP....53..593R"><span>Magnetocrystalline anisotropy of Fe2 + ion in silicon- or germanium-substituted yttrium iron garnet at zero temperature</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rudowicz, Czeslaw</p> <p>1982-01-01</p> <p>The present work reports the theoretical considerations of the magnetocrystalline anisotropy of ferrous ions induced by tetravalent dopants in yttrium iron garnet. Using the spin Hamiltonian developed earlier by us and the molecular field (h) approximation we derive the cubic anisotropy constants K1 and K2 at zero temperature. We adopt the Alben's et al. model of twelve inequivalent Fe2+ sites in silicon-substituted yttrium iron garnet. Results are given for h = 400, 300, 200 and the spin Hamiltonian parameters with the trigonal Δ = 300, 400, 500, 600, 700 and the nontrigonal crystal field parameter Γ = 200, 300 cm-1. The agreement with the experimental K1 and K2 is quite good. The discussion reveals that the properties of the far and near sites in the two-center model can now be theoretically explained. The theoretical ratios of K1(far) to K1(near) agree well with experiment. Thus our results speak in favor of the orbital singlet rather than the doublet model assumed previously for Fe2+ in silicon- or germanium-substituted yttrium iron garnets.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1379944-predictive-modeling-crystal-accumulation-high-level-waste-glass-melters-processing-radioactive-waste','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1379944-predictive-modeling-crystal-accumulation-high-level-waste-glass-melters-processing-radioactive-waste"><span>Predictive modeling of crystal accumulation in high-level waste glass melters processing radioactive waste</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Matyáš, Josef; Gervasio, Vivianaluxa; Sannoh, Sulaiman E.; ...</p> <p>2017-08-30</p> <p>We present that the effectiveness of high-level waste vitrification at Hanford's Waste Treatment and Immobilization Plant may be limited by precipitation/accumulation of spinel crystals [(Fe, Ni, Mn, Zn)(Fe, Cr) 2O 4] in the glass discharge riser of Joule-heated ceramic melters during idling. These crystals do not affect glass durability; however, if accumulated in thick layers, they can clog the melter and prevent discharge of molten glass into canisters. To address this problem, an empirical model was developed that can predict thicknesses of accumulated layers as a function of glass composition. This model predicts well the accumulation of single crystals and/ormore » small-scale agglomerates, but excessive agglomeration observed in high-Ni-Fe glass resulted in an underprediction of accumulated layers, which gradually worsened over time as an increased number of agglomerates formed. In conclusion, the accumulation rate of ~53.8 ± 3.7 μm/h determined for this glass will result in a ~26 mm-thick layer after 20 days of melter idling.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26024011','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26024011"><span>Determination of oral mucosal Poisson's ratio and coefficient of friction from in-vivo contact pressure measurements.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Chen, Junning; Suenaga, Hanako; Hogg, Michael; Li, Wei; Swain, Michael; Li, Qing</p> <p>2016-01-01</p> <p>Despite their considerable importance to biomechanics, there are no existing methods available to directly measure apparent Poisson's ratio and friction coefficient of oral mucosa. This study aimed to develop an inverse procedure to determine these two biomechanical parameters by utilizing in vivo experiment of contact pressure between partial denture and beneath mucosa through nonlinear finite element (FE) analysis and surrogate response surface (RS) modelling technique. First, the in vivo denture-mucosa contact pressure was measured by a tactile electronic sensing sheet. Second, a 3D FE model was constructed based on the patient CT images. Third, a range of apparent Poisson's ratios and the coefficients of friction from literature was considered as the design variables in a series of FE runs for constructing a RS surrogate model. Finally, the discrepancy between computed in silico and measured in vivo results was minimized to identify the best matching Poisson's ratio and coefficient of friction. The established non-invasive methodology was demonstrated effective to identify such biomechanical parameters of oral mucosa and can be potentially used for determining the biomaterial properties of other soft biological tissues.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014ApCM...21..739L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014ApCM...21..739L"><span>Parameterized Finite Element Modeling and Buckling Analysis of Six Typical Composite Grid Cylindrical Shells</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lai, Changliang; Wang, Junbiao; Liu, Chuang</p> <p>2014-10-01</p> <p>Six typical composite grid cylindrical shells are constructed by superimposing three basic types of ribs. Then buckling behavior and structural efficiency of these shells are analyzed under axial compression, pure bending, torsion and transverse bending by finite element (FE) models. The FE models are created by a parametrical FE modeling approach that defines FE models with original natural twisted geometry and orients cross-sections of beam elements exactly. And the approach is parameterized and coded by Patran Command Language (PCL). The demonstrations of FE modeling indicate the program enables efficient generation of FE models and facilitates parametric studies and design of grid shells. Using the program, the effects of helical angles on the buckling behavior of six typical grid cylindrical shells are determined. The results of these studies indicate that the triangle grid and rotated triangle grid cylindrical shell are more efficient than others under axial compression and pure bending, whereas under torsion and transverse bending, the hexagon grid cylindrical shell is most efficient. Additionally, buckling mode shapes are compared and provide an understanding of composite grid cylindrical shells that is useful in preliminary design of such structures.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4813892','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4813892"><span>SHM-Based Probabilistic Fatigue Life Prediction for Bridges Based on FE Model Updating</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Lee, Young-Joo; Cho, Soojin</p> <p>2016-01-01</p> <p>Fatigue life prediction for a bridge should be based on the current condition of the bridge, and various sources of uncertainty, such as material properties, anticipated vehicle loads and environmental conditions, make the prediction very challenging. This paper presents a new approach for probabilistic fatigue life prediction for bridges using finite element (FE) model updating based on structural health monitoring (SHM) data. Recently, various types of SHM systems have been used to monitor and evaluate the long-term structural performance of bridges. For example, SHM data can be used to estimate the degradation of an in-service bridge, which makes it possible to update the initial FE model. The proposed method consists of three steps: (1) identifying the modal properties of a bridge, such as mode shapes and natural frequencies, based on the ambient vibration under passing vehicles; (2) updating the structural parameters of an initial FE model using the identified modal properties; and (3) predicting the probabilistic fatigue life using the updated FE model. The proposed method is demonstrated by application to a numerical model of a bridge, and the impact of FE model updating on the bridge fatigue life is discussed. PMID:26950125</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1369190-physics-based-crystallographic-modeling-framework-describing-thermal-creep-behavior-fe-cr-alloys','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1369190-physics-based-crystallographic-modeling-framework-describing-thermal-creep-behavior-fe-cr-alloys"><span>A physics-based crystallographic modeling framework for describing the thermal creep behavior of Fe-Cr alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Wen, Wei; Capolungo, Laurent; Patra, Anirban; ...</p> <p>2017-02-23</p> <p>In this work, a physics-based thermal creep model is developed based on the understanding of the microstructure in Fe-Cr alloys. This model is associated with a transition state theory based framework that considers the distribution of internal stresses at sub-material point level. The thermally activated dislocation glide and climb mechanisms are coupled in the obstacle-bypass processes for both dislocation and precipitate-type barriers. A kinetic law is proposed to track the dislocation densities evolution in the subgrain interior and in the cell wall. The predicted results show that this model, embedded in the visco-plastic self-consistent (VPSC) framework, captures well the creepmore » behaviors for primary and steady-state stages under various loading conditions. We also discuss the roles of the mechanisms involved.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016NRL....11..451Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016NRL....11..451Z"><span>Passage of Magnetic Tat-Conjugated Fe3O4@SiO2 Nanoparticles Across In Vitro Blood-Brain Barrier</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhao, Xueqin; Shang, Ting; Zhang, Xiaodan; Ye, Ting; Wang, Dajin; Rei, Lei</p> <p>2016-10-01</p> <p>Delivery of diagnostic or therapeutic agents across the blood-brain barrier (BBB) remains a major challenge of brain disease treatment. Magnetic nanoparticles are actively being developed as drug carriers due to magnetic targeting and subsequently reduced off-target effects. In this paper, we developed a magnetic SiO2@Fe3O4 nanoparticle-based carrier bound to cell-penetrating peptide Tat (SiO2@Fe3O4 -Tat) and studied its fates in accessing BBB. SiO2@Fe3O4-Tat nanoparticles (NPs) exhibited suitable magnetism and good biocompatibility. NPs adding to the apical chamber of in vitro BBB model were found in the U251 glioma cells co-cultured at the bottom of the Transwell, indicating that particles passed through the barrier and taken up by glioma cells. Moreover, the synergistic effects of Tat and magnetic field could promote the efficient cellular internalization and the permeability across the barrier. Besides, functionalization with Tat peptide allowed particles to locate into the nucleus of U251 cells than the non-conjugated NPs. These results suggest that SiO2@Fe3O4-Tat NPs could penetrate the BBB through the transcytosis of brain endothelial cells and magnetically mediated dragging. Therefore, SiO2@Fe3O4-Tat NPs could be exploited as a potential drug delivery system for chemotherapy and gene therapy of brain disease.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://pubs.er.usgs.gov/publication/70195156','USGSPUBS'); return false;" href="https://pubs.er.usgs.gov/publication/70195156"><span>Time series sightability modeling of animal populations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://pubs.er.usgs.gov/pubs/index.jsp?view=adv">USGS Publications Warehouse</a></p> <p>ArchMiller, Althea A.; Dorazio, Robert; St. Clair, Katherine; Fieberg, John R.</p> <p>2018-01-01</p> <p>Logistic regression models—or “sightability models”—fit to detection/non-detection data from marked individuals are often used to adjust for visibility bias in later detection-only surveys, with population abundance estimated using a modified Horvitz-Thompson (mHT) estimator. More recently, a model-based alternative for analyzing combined detection/non-detection and detection-only data was developed. This approach seemed promising, since it resulted in similar estimates as the mHT when applied to data from moose (Alces alces) surveys in Minnesota. More importantly, it provided a framework for developing flexible models for analyzing multiyear detection-only survey data in combination with detection/non-detection data. During initial attempts to extend the model-based approach to multiple years of detection-only data, we found that estimates of detection probabilities and population abundance were sensitive to the amount of detection-only data included in the combined (detection/non-detection and detection-only) analysis. Subsequently, we developed a robust hierarchical modeling approach where sightability model parameters are informed only by the detection/non-detection data, and we used this approach to fit a fixed-effects model (FE model) with year-specific parameters and a temporally-smoothed model (TS model) that shares information across years via random effects and a temporal spline. The abundance estimates from the TS model were more precise, with decreased interannual variability relative to the FE model and mHT abundance estimates, illustrating the potential benefits from model-based approaches that allow information to be shared across years.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li class="active"><span>20</span></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_20 --> <div id="page_21" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li class="active"><span>21</span></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="401"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA268449','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA268449"><span>Proceedings of the International Cryocooler Conference (7th) Held in Santa Fe, New Mexico on 17-19 November 1992. Part 2,</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>1993-04-01</p> <p>presentations. The topics included Cryoccoler Testing and Modeling , Space and Long Life Applications, Stirling Cryocoolers , Pulse Tube Refrigerators, Novel...Equation (12), derived in the present study can also be used to develop a linear network model of Stirling 1" or pulse - tube cryocoolers by...Applications, Stirling Cryocoolers , Pulse Tube Refrigerators, Novel Concepts and Component Development, Low Temperature Regenerator Development, and J-T and</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26787165','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26787165"><span>High performance liquid chromatography of substituted aromatics with the metal-organic framework MIL-100(Fe): Mechanism analysis and model-based prediction.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Qin, Weiwei; Silvestre, Martin Eduardo; Li, Yongli; Franzreb, Matthias</p> <p>2016-02-05</p> <p>Metal-organic framework (MOF) MIL-100(Fe) with well-defined thickness was homogenously coated onto the outer surface of magnetic microparticles via a liquid-phase epitaxy method. The as-synthesized MIL-100(Fe) was used as stationary phase for high-performance liquid chromatography (HPLC) and separations of two groups of mixed aromatic hydrocarbons (toluene, styrene and p-xylene; acetanilide, 2-nirtoaniline and 1-naphthylamine) using methanol/water as mobile phase were performed to evaluate its performance. Increasing water content of the mobile phase composition can greatly improve the separations on the expense of a longer elution time. Stepwise elution significantly shortens the elution time of acetanilide, 2-nirtoaniline and 1-naphthylamine mixtures, while still achieving a baseline separation. Combining the experimental results and in-depth modeling using a recently developed chromatographic software (ChromX), adsorption equilibrium parameters, including the affinities and maximum capacities, for each analyte toward the MIL-100(Fe) are obtained. In addition, the pore diffusivity of aromatic hydrocarbons within MIL-100(Fe) was determined to be 5×10(-12)m(2)s(-1). While the affinities of MIL-100(Fe) toward the analyte molecules differs much, the maximum capacities of the analytes are in a narrow range with q*MOFmax,toluene=3.55molL(-1), q*MOFmax,styrene or p-xylene=3.53molL(-1), and q*MOFmax,anilines=3.12molL(-1) corresponding to approximately 842 toluene and 838 styrene or p-xylene, and 740 aniline molecules per MIL-100(Fe) unit cell, respectively. Copyright © 2016 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009SPIE.7289E..0RB','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009SPIE.7289E..0RB"><span>A comparison of FE beam and continuum elements for typical nitinol stent geometries</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ballew, Wesley; Seelecke, Stefan</p> <p>2009-03-01</p> <p>With interest in improved efficiency and a more complete description of the SMA material, this paper compares finite element (FE) simulations of typical stent geometries using two different constitutive models and two different element types. Typically, continuum elements are used for the simulation of stents, for example the commercial FE software ANSYS offers a continuum element based on Auricchio's SMA model. Almost every stent geometry, however, is made up of long and slender components and can be modeled more efficiently, in the computational sense, with beam elements. Using the ANSYS user programmable material feature, we implement the free energy based SMA model developed by Mueller and Seelecke into the ANSYS beam element 188. Convergence behavior for both, beam and continuum formulations, is studied in terms of element and layer number, respectively. This is systematically illustrated first for the case of a straight cantilever beam under end loading, and subsequently for a section of a z-bend wire, a typical stent sub-geometry. It is shown that the computation times for the beam element are reduced to only one third of those of the continuum element, while both formulations display a comparable force/displacement response.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20180003026&hterms=energy&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Denergy','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20180003026&hterms=energy&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Denergy"><span>New Constraints on the Geometry and Kinematics of Matter Surrounding the Accretion Flow in X-Ray Binaries from Chandra High-Energy Transmission Grating X-Ray Spectroscopy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Tzanavaris, P.; Yaqoob, T.</p> <p>2018-01-01</p> <p>The narrow, neutral Fe Ka fluorescence emission line in X-ray binaries (XRBs) is a powerful probe of the geometry, kinematics, and Fe abundance of matter around the accretion flow. In a recent study it has been claimed, using Chandra High-Energy Transmission Grating (HETG) spectra for a sample of XRBs, that the circumnuclear material is consistent with a solar-abundance, uniform, spherical distribution. It was also claimed that the Fe Ka line was unresolved in all cases by the HETG. However, these conclusions were based on ad hoc models that did not attempt to relate the global column density to the Fe Ka line emission. We revisit the sample and test a self-consistent model of a uniform, spherical X-ray reprocessor against HETG spectra from 56 observations of 14 Galactic XRBs. We find that the model is ruled out in 13/14 sources because a variable Fe abundance is required. In two sources a spherical distribution is viable, but with nonsolar Fe abundance. We also applied a solar-abundance Compton-thick reflection model, which can account for the spectra that are inconsistent with a spherical model, but spectra with a broader bandpass are required to better constrain model parameters. We also robustly measured the velocity width of the Fe Ka line and found FWHM values of up to approx. 5000 km/s. Only in some spectra was the Fe Ka line unresolved by the HETG.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1052513-pore-scale-characterization-biogeochemical-controls-iron-uranium-speciation-under-flow-conditions','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1052513-pore-scale-characterization-biogeochemical-controls-iron-uranium-speciation-under-flow-conditions"><span>Pore-Scale Characterization of Biogeochemical Controls on Iron and Uranium Speciation under Flow Conditions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Pearce, Carolyn I.; Wilkins, Michael J.; Zhang, Changyong</p> <p>2012-09-17</p> <p>Etched silicon microfluidic pore network models (micromodels) with controlled chemical and redox gradients, mineralogy, and microbiology under continuous flow conditions are used for the incremental development of complex microenvironments that simulate subsurface conditions. We demonstrate the colonization of micromodel pore spaces by an anaerobic Fe(III)-reducing bacterial species (Geobacter sulfurreducens) and the enzymatic reduction of a bioavailable Fe(III) phase within this environment. Using both X-ray Microprobe and X-ray Absorption Spectroscopy, we investigate the combined effects of the precipitated Fe(III) phases and the microbial population on uranium biogeochemistry under flow conditions. Precipitated Fe(III) phases within the micromodel were most effectively reduced inmore » the presence of an electron shuttle (AQDS), and Fe(II) ions adsorbed onto the precipitated mineral surface without inducing any structural change. In the absence of Fe(III), U(VI) was effectively reduced by the microbial population to insoluble U(IV), which was precipitated in discrete regions associated with biomass. In the presence of Fe(III) phases, however, both U(IV) and U(VI) could be detected associated with biomass, suggesting re-oxidation of U(IV) by localized Fe(III) phases. These results demonstrate the importance of the spatial localization of biomass and redox active metals, and illustrate the key effects of pore-scale processes on contaminant fate and reactive transport.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1185774-hydrogen-permeation-fecral-alloys-lwr-cladding-application','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1185774-hydrogen-permeation-fecral-alloys-lwr-cladding-application"><span>Hydrogen permeation in FeCrAl alloys for LWR cladding application</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Hu, Xunxiang; Terrani, Kurt A.; Wirth, Brian D.; ...</p> <p>2015-03-19</p> <p>FeCrAl is an advanced oxidation-resistant iron-based alloy class, is a highly prevalent candidate as an accident-tolerant fuel cladding material. Compared with traditional zirconium alloy fuel cladding, increased tritium permeation through FeCrAl fuel cladding to the primary coolant is expected, raising potential safety concerns. In our study, the hydrogen permeability of several FeCrAl alloys was obtained using a static permeation test station, which was calibrated and validated using 304 stainless steel. The high hydrogen permeability of FeCrAl alloys leads to concerns with respect to potentially significant tritium release when used for fuel cladding in LWRs. Also, the total tritium inventory insidemore » the primary coolant of a light water reactor was quantified by applying a 1-dimensional steady state tritium diffusion model to demonstrate the dependence of tritium inventory on fuel cladding type. Furthermore, potential mitigation strategies for tritium release from FeCrAl fuel cladding were discussed and indicate the potential for application of an alumina layer on the inner clad surface to serve as a tritium barrier. More effort is required to develop a robust, economical mitigation strategy for tritium permeation in reactors using FeCrAl clad fuel assemblies.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1375458','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1375458"><span>3D-FE Modeling of 316 SS under Strain-Controlled Fatigue Loading and CFD Simulation of PWR Surge Line</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Mohanty, Subhasish; Barua, Bipul; Listwan, Joseph</p> <p></p> <p>In financial year 2017, we are focusing on developing a mechanistic fatigue model of surge line pipes for pressurized water reactors (PWRs). To that end, we plan to perform the following tasks: (1) conduct stress- and strain-controlled fatigue testing of surge-line base metal such as 316 stainless steel (SS) under constant, variable, and random fatigue loading, (2) develop cyclic plasticity material models of 316 SS, (3) develop one-dimensional (1D) analytical or closed-form model to validate the material models and to understand the mechanics associated with 316 SS cyclic hardening and/or softening, (4) develop three-dimensional (3D) finite element (FE) models withmore » implementation of evolutionary cyclic plasticity, and (5) develop computational fluid dynamics (CFD) model for thermal stratification, thermal-mechanical stress, and fatigue of example reactor components, such as a PWR surge line under plant heat-up, cool-down, and normal operation with/without grid-load-following. This semi-annual progress report presents the work completed on the above tasks for a 316 SS laboratory-scale specimen subjected to strain-controlled cyclic loading with constant, variable, and random amplitude. This is the first time that the accurate 3D-FE modeling of the specimen for its entire fatigue life, including the hardening and softening behavior, has been achieved. We anticipate that this work will pave the way for the development of a fully mechanistic-computer model that can be used for fatigue evaluation of safety-critical metallic components, which are traditionally evaluated by heavy reliance on time-consuming and costly test-based approaches. This basic research will not only help the nuclear reactor industry for fatigue evaluation of reactor components in a cost effective and less time-consuming way, but will also help other safety-related industries, such as aerospace, which is heavily dependent on test-based approaches, where a single full-scale fatigue test can cost millions of dollars and require years of effort to conduct. Toward our goal of demonstration of fully mechanistic fatigue evaluation of reactor components, we also started work on developing a component-level computer model of reactor components, such as 316 SS surge line pipe. This requires developing a thermal-mechanical stress analysis model of the reactor surge line, which, in turn, requires time-dependent temperature and stratification information along the boundary of the pipe. Toward that goal, CFD models of surge lines are being developed. In this report, we also present some preliminary results showing the temperature conditions along the surge line wall under reactor heat-up, cool-down, and steady-state power operation.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007JAP...102a4307Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007JAP...102a4307Y"><span>Modeling the formation of strong couples in high temperature liquid</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yaghmaee, M. S.; Shokri, B.</p> <p>2007-07-01</p> <p>The study of atomic/molecular level interactions in the liquid state of materials not only helps us to understand the extreme behavior of such complex liquid phases (different from what we observe from ideal systems), but also helps us to analyze and design the advanced materials. For this reason, the model of an ideally associated mixture has been applied to describe the equilibrium state on the example of an Fe-rich corner of the quaternary Fe-Al-N-B system. This model is able to formulate and analyze the state of liquid systems, which are rich in one component and which also have other components that develop strong interactions among each other, leading to the formation of some couples in the system. These couples could be as small as a two-atom structure (such as simple compounds in a metallic system), but they could also become larger up to nanoscale due to higher stoichiometric morphologies that form nanoscale clusters. The solubility of AlN, BN, and N2 gases in the liquid phase of the ternary Fe-Al-N and Fe-B-N systems has been calculated and fitted to experimental results. There is a deviation between our calculated boundary curves fitted with experimental result and those extrapolated curves from the concept of solubility product, which may only be attributed to the misleading concept of solubility product that ignores couple formation in the liquid. Applying this model to the Fe-Al-N-B liquid system, we found that at relatively low boron content (i.e., 20-30ppm) and soluble aluminum content exceeding 250ppm, more than 90% of the steel making practice with nitrogen content (i.e., maximum of 120ppm) is complexed into AlN and BN couples at temperatures falling in the range of 1823-1923K. The model describing the liquid quaternary Fe-Al-N-B system provides us a tool to determine the equilibrium quantity of the considered constituents (free atoms and couples) formed in the liquid, as a function of macroscopic composition and temperature. This algorithm can be used generally for high temperature multicomponent liquid systems, which have the tendency to form strong couples or nanoclusters.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/17311174','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/17311174"><span>Analysis and evaluation of the biofidelity of the human body finite element model in lateral impact simulations according to ISO-TR9790 procedures.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ruan, Jesse S; El-Jawahri, Raed; Rouhana, Stephen W; Barbat, Saeed; Prasad, Priya</p> <p>2006-11-01</p> <p>The biofidelity of the Ford Motor Company human body finite element (FE) model in side impact simulations was analyzed and evaluated following the procedures outlined in ISO technical report TR9790. This FE model, representing a 50th percentile adult male, was used to simulate the biomechanical impact tests described in ISO-TR9790. These laboratory tests were considered as suitable for assessing the lateral impact biofidelity of the head, neck, shoulder, thorax, abdomen, and pelvis of crash test dummies, subcomponent test devices, and math models that are used to represent a 50th percentile adult male. The simulated impact responses of the head, neck, shoulder, thorax, abdomen, and pelvis of the FE model were compared with the PMHS (Post Mortem Human Subject) data upon which the response requirements for side impact surrogates was based. An overall biofidelity rating of the human body FE model was determined using the ISO-TR9790 rating method. The resulting rating for the human body FE model was 8.5 on a 0 to 10 scale with 8.6-10 being excellent biofidelity. In addition, in order to explore whether there is a dependency of the impact responses of the FE model on different analysis codes, three commercially available analysis codes, namely, LS-DYNA, Pamcrash, and Radioss were used to run the human body FE model. Effects of these codes on biofidelity when compared with ISO-TR9790 data are discussed. Model robustness and numerical issues arising with three different code simulations are also discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhDT........34O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhDT........34O"><span>Starting points for the study of non-Fermi liquid-like properties of FeCrAs</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>O'Brien, Patrick James</p> <p></p> <p>FeCrAs exhibits non-Fermi liquid-like behavior because of its odd combination of thermodynamic, transport, and magnetic properties. In particular, the resistivity of FeCrAs is not characteristic of a metal or an insulator and so remains a mystery. In this thesis, we seek a model to describe its properties. In FeCrAs, local moments reside on the Cr sites, and there is some conduction. We study the simplest possible model on the kagome lattice that features local moments and itinerant electrons, the kagome Kondo Lattice Model. We present the phase diagram of this model, which features a host of complex spin orders, one of which is the √3 x √3, the experimentally observed magnetic ground state in FeCrAs. The kagome Kondo Lattice Model, having one itinerant d-orbital band on the kagome lattice, does not fully capture the microscopic physics of FeCrAs. The kagome Kondo Lattice Model also will not de- scribe the mutilation of the Fermi surface. To investigate the microscopic properties, we calculated LDA and LDA+U results. These results and GGA results from another group all exhibit high d-orbital density of states at the Fermi energy as well as low p-orbital density of states at the Fermi energy. The DFT results motivated us to construct a model based on the chemistry and full geometry of the FeCrAs crystal. The model we construct is an effective hopping model consisting of only d-orbital operators that we call the Optimal Overlap Hopping Model (OOHM). We calculate the band structure that results from the OOHM, and this band structure can be compared to ARPES measurements. As an example of how one can use the OOHM, we calculate a dynamic spin structure factor from within the OOHM, and we compare it to neutron scattering data. We consider both the OOHM and the Kondo Lattice Model on the kagome lattice as starting points from which we can launch studies of FeCrAs, and we present the existing theories for FeCrAs on a metallicity spectrum to illustrate the various perspectives from which FeCrAs is studied.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27534270','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27534270"><span>Immobilization of iron oxide nanoparticles within alginate nanogels for enhanced MR imaging applications.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sun, Wenjie; Yang, Jia; Zhu, Jianzhi; Zhou, Yiwei; Li, Jingchao; Zhu, Xiaoyue; Shen, Mingwu; Zhang, Guixiang; Shi, Xiangyang</p> <p>2016-10-20</p> <p>We report the design of iron oxide (Fe3O4) nanoparticle (NP)-immobilized alginate (AG) nanogels (NGs) as a novel contrast agent for enhanced magnetic resonance (MR) imaging applications. In this study, an aqueous solution of AG activated by 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride was double emulsified to form NGs, followed by in situ cross-linking with polyethyleneimine (PEI)-coated Fe3O4 NPs (PEI-Fe3O4 NPs). The resultant Fe3O4 NP-immobilized AG NGs (AG/PEI-Fe3O4 NGs) were characterized via different techniques. Our results reveal that the hybrid NGs with a size of 186.1 ± 33.1 nm are water dispersible, colloidally stable, and cytocompatible in the given concentration range. Importantly, these NGs have a high r2 relaxivity (170.87 mM(-1) s(-1)) due to the high loading of Fe3O4 NPs within the NGs, and can be more significantly uptaken by cancer cells when compared with carboxylated Fe3O4 NPs. The formed AG/PEI-Fe3O4 NGs are able to be used as an effective contrast agent for the MR imaging of cancer cells in vitro and the xenografted tumor model in vivo after intravenous injection. The developed AG/PEI-Fe3O4 NGs may hold great promise for use as a novel contrast agent for the enhanced MR imaging of different biological systems.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011AIPC.1315..801G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011AIPC.1315..801G"><span>A Fatigue Life Prediction Model of Welded Joints under Combined Cyclic Loading</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Goes, Keurrie C.; Camarao, Arnaldo F.; Pereira, Marcos Venicius S.; Ferreira Batalha, Gilmar</p> <p>2011-01-01</p> <p>A practical and robust methodology is developed to evaluate the fatigue life in seam welded joints when subjected to combined cyclic loading. The fatigue analysis was conducted in virtual environment. The FE stress results from each loading were imported to fatigue code FE-Fatigue and combined to perform the fatigue life prediction using the S x N (stress x life) method. The measurement or modelling of the residual stresses resulting from the welded process is not part of this work. However, the thermal and metallurgical effects, such as distortions and residual stresses, were considered indirectly through fatigue curves corrections in the samples investigated. A tube-plate specimen was submitted to combined cyclic loading (bending and torsion) with constant amplitude. The virtual durability analysis result was calibrated based on these laboratory tests and design codes such as BS7608 and Eurocode 3. The feasibility and application of the proposed numerical-experimental methodology and contributions for the technical development are discussed. Major challenges associated with this modelling and improvement proposals are finally presented.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28222001','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28222001"><span>Friction Reduction through Ultrasonic Vibration Part 2: Experimental Evaluation of Intermittent Contact and Squeeze Film Levitation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sednaoui, Thomas; Vezzoli, Eric; Dzidek, Brygida; Lemaire-Semail, Betty; Chappaz, Cedrick; Adams, Michael</p> <p>2017-01-01</p> <p>In part 1 of the current study of haptic displays, a finite element (FE) model of a finger exploring a plate vibrating out-of-plane at ultrasonic frequencies was developed as well as a spring-frictional slider model. It was concluded that the reduction in friction induced by the vibrations could be ascribed to ratchet mechanism as a result of intermittent contact. The relative reduction in friction calculated using the FE model could be superimposed onto an exponential function of a dimensionless group defined from relevant parameters. The current paper presents measurements of the reduction in friction, involving real and artificial fingertips, as a function of the vibrational amplitude and frequency, the applied normal force and the exploration velocity. The results are reasonably similar to the calculated FE values and also could be superimposed using the exponential function provided that the intermittent contact was sufficiently well developed, which for the frequencies examined correspond to a minimum vibrational amplitude of ∼ 1 µm P-P. It was observed that the reduction in friction depends on the exploration velocity and is independent of the applied normal force and ambient air pressure, which is not consistent with the squeeze film mechanism. However, the modelling did not incorporate the influence of air and the effect of ambient pressure was measured under a limited range of conditions, Thus squeeze film levitation may be synergistic with the mechanical interaction.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018OptLT..98..363L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018OptLT..98..363L"><span>A procedure for calibration and validation of FE modelling of laser-assisted metal to polymer direct joining</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lambiase, F.; Genna, S.; Kant, R.</p> <p>2018-01-01</p> <p>The quality of the joints produced by means of Laser-Assisted Metal to Polymer direct joining (LAMP) is strongly influenced by the temperature field produced during the laser treatment. The main phenomena including the adhesion of the plastic to the metal sheet and the development of bubbles (on the plastic surface) depend on the temperature reached by the polymer at the interface. Such a temperature should be higher than the softening temperature, but lower than the degradation temperature of the polymer. However, the temperature distribution is difficult to be measured by experimental tests since the most polymers (which are transparent to the laser radiation) are often opaque to the infrared wavelength. Thus, infrared analysis involving pyrometers and infrared camera is not suitable for this purpose. On the other hand, thermocouples are difficult to be placed at the interface without influencing the temperature conditions. In this paper, an integrated approach involving both experimental measurements and a Finite Element (FE) model were used to perform such an analysis. LAMP of Polycarbonate and AISI304 stainless steel was performed by means of high power diode laser and the main process parameters i.e. laser power and scanning speed were varied. Comparing the experimental measurements and the FE model prediction of the thermal field, a good correspondence was achieved proving the suitability of the developed model and the proposed calibration procedure to be ready used for process design and optimization.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1214468-thermodynamic-approach-stability-multi-phase-systems-application-y2o3fe-system','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1214468-thermodynamic-approach-stability-multi-phase-systems-application-y2o3fe-system"><span>Thermodynamic approach to the stability of multi-phase systems. Application to the Y 2O 3–Fe system</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Samolyuk, German D.; Osetskiy, Yury N.</p> <p>2015-07-07</p> <p>Oxide-metal systems (OMSs) are important in many practical applications, and therefore, are under extensive studies using a wide range of techniques. The most accurate theoretical approaches are based on density functional theory (DFT), which are limited to ~10 2 atoms. Multi-scale approaches, e.g., DFT+Monte Carlo, are often used to model OMSs at the atomic level. These approaches can describe qualitatively the kinetics of some processes but not the overall stability of OMSs. In this paper, we propose a thermodynamic approach to study equilibrium in multiphase systems, which can be sequentially enhanced by considering different defects and microstructures. We estimate themore » thermodynamic equilibrium by minimization the free energy of the whole multiphase system using a limited set of defects and microstructural objects for which the properties are calculated by DFT. As an example, we consider Y 2O 3+bcc Fe with vacancies in both the Y 2O 3 and bcc Fe phases, Y substitutions and O interstitials in Fe, Fe impurities and antisite defects in Y 2O 3. The output of these calculations is the thermal equilibrium concentration of all the defects for a particular temperature and composition. The results obtained confirmed the high temperature stability of yttria in iron. As a result, model development towards more accurate calculations is discussed.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26092170','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26092170"><span>Enhanced defluoridation and facile separation of magnetic nano-hydroxyapatite/alginate composite.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Pandi, Kalimuthu; Viswanathan, Natrayasamy</p> <p>2015-09-01</p> <p>In this research study, a new magnetic biosorbent was developed by the fabrication of magnetic Fe3O4 particles on nano-hydroxyapatite(n-HAp)/alginate (Alg) composite (Fe3O4@n-HApAlg composite) for defluoridation in batch mode. The synthesized Fe3O4@n-HApAlg biocomposite possess an enhanced defluoridation capacity (DC) of 4050 mgF(-)/kg when compare to n-HApAlg composite, Fe3O4@n-HAp composite, n-HAp and Fe3O4 which possesses the DCs of 3870, 2469, 1296 and 1050 mgF(-)/kg respectively. The structural changes of the sorbent, before and after fluoride sorption were studied using FTIR, XRD and SEM with EDAX techniques. There are various physico-chemical parameters such as contact time, pH, co-existing anions, initial fluoride concentration and temperature were optimized for maximum fluoride removal. The equilibrium data was well modeled by Freundlich, Langmuir, Dubinin-Radushkevich (D-R) and Temkin isotherms. The present system follows Dubinin-Radushkevich isotherm model. The thermodynamic parameters reveals that the feasibility, spontaneity and endothermic nature of fluoride sorption. The performance and efficiency of the adsorbent material was examined with water samples collected from fluoride endemic areas namely Reddiyarchatram and Ammapatti in Dindigul District of Tamil Nadu using standard protocols. Copyright © 2015 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24804486','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24804486"><span>[Numerical finite element modeling of custom car seat using computer aided design].</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Huang, Xuqi; Singare, Sekou</p> <p>2014-02-01</p> <p>A good cushion can not only provide the sitter with a high comfort, but also control the distribution of the hip pressure to reduce the incidence of diseases. The purpose of this study is to introduce a computer-aided design (CAD) modeling method of the buttocks-cushion using numerical finite element (FE) simulation to predict the pressure distribution on the buttocks-cushion interface. The buttock and the cushion model geometrics were acquired from a laser scanner, and the CAD software was used to create the solid model. The FE model of a true seated individual was developed using ANSYS software (ANSYS Inc, Canonsburg, PA). The model is divided into two parts, i.e. the cushion model made of foam and the buttock model represented by the pelvis covered with a soft tissue layer. Loading simulations consisted of imposing a vertical force of 520N on the pelvis, corresponding to the weight of the user upper extremity, and then solving iteratively the system.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28451203','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28451203"><span>Iron supported on bioinspired green silica for water remediation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Alotaibi, Khalid M; Shiels, Lewis; Lacaze, Laure; Peshkur, Tanya A; Anderson, Peter; Machala, Libor; Critchley, Kevin; Patwardhan, Siddharth V; Gibson, Lorraine T</p> <p>2017-01-01</p> <p>Iron has been used previously in water decontamination, either unsupported or supported on clays, polymers, carbons or ceramics such as silica. However, the reported synthesis procedures are tedious, lengthy (involving various steps), and either utilise or produce toxic chemicals. Herein, the use of a simple, rapid, bio-inspired green synthesis method is reported to prepare, for the first time, a family of iron supported on green nanosilica materials (Fe@GN) to create new technological solutions for water remediation. In particular, Fe@GN were employed for the removal of arsenate ions as a model for potentially toxic elements in aqueous solution. Several characterization techniques were used to study the physical, structural and chemical properties of the new Fe@GN. When evaluated as an adsorption platform for the removal of arsenate ions, Fe@GN exhibited high adsorption capacity (69 mg of As per g of Fe@GN) with superior kinetics (reaching ∼35 mg As per g sorbent per hr) - threefold higher than the highest removal rates reported to date. Moreover, a method was developed to regenerate the Fe@GN allowing for a full recovery and reuse of the adsorbent in subsequent extractions; strongly highlighting the potential technological benefits of these new green materials.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29737838','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29737838"><span>Neuron-Inspired Fe3O4/Conductive Carbon Filament Network for High-Speed and Stable Lithium Storage.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hao, Shu-Meng; Li, Qian-Jie; Qu, Jin; An, Fei; Zhang, Yu-Jiao; Yu, Zhong-Zhen</p> <p>2018-05-17</p> <p>Construction of a continuous conductance network with high electron-transfer rate is extremely important for high-performance energy storage. Owing to the highly efficient mass transport and information transmission, neurons are exactly a perfect model for electron transport, inspiring us to design a neuron-like reaction network for high-performance lithium-ion batteries (LIBs) with Fe 3 O 4 as an example. The reactive cores (Fe 3 O 4 ) are protected by carbon shells and linked by carbon filaments, constituting an integrated conductance network. Thus, once the reaction starts, the electrons released from every Fe 3 O 4 cores are capable of being transferred rapidly through the whole network directly to the external circuit, endowing the nanocomposite with tremendous rate performance and ultralong cycle life. After 1000 cycles at current densities as high as 1 and 2 A g -1 , charge capacities of the as-synthesized nanocomposite maintain 971 and 715 mA h g -1 , respectively, much higher than those of reported Fe 3 O 4 -based anode materials. The Fe 3 O 4 -based conductive network provides a new idea for future developments of high-rate-performance LIBs.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.ars.usda.gov/research/publications/publication/?seqNo115=296569','TEKTRAN'); return false;" href="http://www.ars.usda.gov/research/publications/publication/?seqNo115=296569"><span>Effects of different Fe supplies on mineral partitioning and remobilization during the reproductive development of rice (Oryza sativa L.)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ars.usda.gov/research/publications/find-a-publication/">USDA-ARS?s Scientific Manuscript database</a></p> <p></p> <p></p> <p>Minimal information exists on whole-plant dynamics of mineral flow through rice plants or on the source tissues responsible for mineral export to developing seeds. Understanding these phenomena in a model plant could help in the development of nutritionally enhanced crop cultivars. A whole-plant acc...</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li class="active"><span>21</span></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_21 --> <div id="page_22" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li class="active"><span>22</span></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="421"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=time+AND+series+AND+design+AND+study&pg=3&id=EJ1130961','ERIC'); return false;" href="https://eric.ed.gov/?q=time+AND+series+AND+design+AND+study&pg=3&id=EJ1130961"><span>Teacher Educators: Proposing New Professional Development Models within an English Further Education Context</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Eliahoo, Rebecca</p> <p>2017-01-01</p> <p>At a time of increasing public and government focus on the quality of teacher education, little is known about the professional development needs of those who teach teachers in further education (FE). Yet they are crucial players. Efforts are intensifying across a significant number of countries to promote the professional development of teacher…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2547486','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2547486"><span>Spectroscopic and Quantum Chemical Studies on low-spin FeIV=O complexes: Fe-O bonding and its contributions to reactivity</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Decker, Andrea; Rohde, Jan-Uwe; Klinker, Eric J.; Wong, Shaun D.; Que, Lawrence; Solomon, Edward I.</p> <p>2008-01-01</p> <p>High valent FeIV=O species are key intermediates in the catalytic cycles of many mononuclear non-heme iron enzymes and have been structurally defined in model systems. Variable temperature magnetic circular dichroism (VT-MCD) spectroscopy has been used to evaluate the electronic structures and in particular the Fe-O bonds of three FeIV=O (S=1) model complexes, [FeIV(O)(TMC)(NCMe)]2+, [FeIV(O)(TMC)(OC(O)CF3)]+, and [FeIV(O)(N4Py)]2+. These complexes are characterized by their strong and covalent Fe-O π-bonds. The MCD spectra show a vibronic progression in the non-bonding → π* excited state, providing the Fe-O stretching frequency and the Fe-O bond length in this excited state and quantifying the π-contribution to the total Fe-O bond. Correlation of these experimental data to reactivity shows that the [FeIV(O)(N4Py)]2+ complex, with the highest reactivity towards hydrogen-atom abstraction among the three, has the strongest Fe-O π-bond. Density Functional calculations were correlated to the data and support the experimental analysis. The strength and covalency of the Fe-O π-bond result in high oxygen character in the important frontier molecular orbitals (FMOs) for this reaction, the unoccupied β-spin d(xz/yz) orbitals, and activates these for electrophilic attack. An extension to biologically relevant FeIV=O (S=2) enzyme intermediates shows that these can perform electrophilic attack reactions along the same mechanistic pathway (π-FMO pathway) with similar reactivity, but also have an additional reaction channel involving the unoccupied α-spin d(z2) orbital (σ-FMO pathway). These studies experimentally probe the FMOs involved in the reactivity of FeIV=O (S=1) model complexes resulting in a detailed understanding of the Fe-O bond and its contributions to reactivity. PMID:18052249</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/AD1011286','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/AD1011286"><span>2007 Joint Service Power Expo: Power and Energy Independence for Warfighters</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>2007-04-26</p> <p>Technology benefits and cost LiFePO4 Development LiFePO4 Development ● SAFT initiated work on LiFePO4 under a developmental program with Army...life and improvement ● SAFT is continuing the LiFePO4 work under US Army MANTECH effort. Very High Power cells with the LiFePO4 cathode have been...supplier of LiFePO4 – Phostech/Sud-Chemie. Cell VL10Fe VL12V Cathode LiFePO4 NCA Nominal Voltage (V) 3.3 3.6 Nominal Capacity at C rate (Ah) 10 12 V = f</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26448492','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26448492"><span>Treatment of reverse osmosis (RO) concentrate by the combined Fe/Cu/air and Fenton process (1stFe/Cu/air-Fenton-2ndFe/Cu/air).</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ren, Yi; Yuan, Yue; Lai, Bo; Zhou, Yuexi; Wang, Juling</p> <p>2016-01-25</p> <p>To decompose or transform the toxic and refractory reverse osmosis (RO) concentrate and improve the biodegradability, 1stFe/Cu/air-Fenton-2ndFe/Cu/air were developed to treat RO concentrate obtained from an amino acid production plant in northern China. First, their operating conditions were optimized thoroughly. Furthermore, 5 control experiments were setup to confirm the superiority of 1stFe/Cu/air-Fenton-2ndFe/Cu/air and synergistic reaction between Fe/Cu/air and Fenton. The results suggest that the developed method could obtain high COD removal (65.1%) and BOD5/COD ratio (0.26) due to the synergistic reaction between Fe/Cu/air and Fenton. Under the optimal conditions, the influent and effluent of 1stFe/Cu/air-Fenton-2ndFe/Cu/air and 5 control experiments were analyzed by using UV, FTIR, EEM and LC, which confirm the superiority of 1stFe/Cu/air-Fenton-2ndFe/Cu/air. Therefore, the developed method in this study is a promising process for treatment of RO concentrate. Copyright © 2015 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23639548','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23639548"><span>The role of added feed enzymes in promoting gut health in swine and poultry.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kiarie, Elijah; Romero, Luis F; Nyachoti, Charles M</p> <p>2013-06-01</p> <p>The value of added feed enzymes (FE) in promoting growth and efficiency of nutrient utilisation is well recognised in single-stomached animal production. However, the effects of FE on the microbiome of the gastrointestinal tract (GIT) are largely unrecognised. A critical role in host nutrition, health, performance and quality of the products produced is played by the intestinal microbiota. FE can make an impact on GIT microbial ecology by reducing undigested substrates and anti-nutritive factors and producing oligosaccharides in situ from dietary NSP with potential prebiotic effects. Investigations with molecular microbiology techniques have demonstrated FE-mediated responses on energy utilisation in broiler chickens that were associated with certain clusters of GIT bacteria. Furthermore, investigations using specific enteric pathogen challenge models have demonstrated the efficacy of FE in modulating gut health. Because FE probably change the substrate characteristics along the GIT, subsequent microbiota responses will vary according to the populations present at the time of administration and their reaction to such changes. Therefore, the microbiota responses to FE administration, rather than being absolute, are a continuum or a population of responses. However, recognition that FE can make an impact on the gut microbiota and thus gut health will probably stimulate development of FE capable of modulating gut microbiota to the benefit of host health under specific production conditions. The present review brings to light opportunities and challenges for the role of major FE (carbohydrases and phytase) on the gut health of poultry and swine species with a specific focus on the impact on GIT microbiota.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3406873','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3406873"><span>Electrocatalytic mechanism of reversible hydrogen cycling by enzymes and distinctions between the major classes of hydrogenases</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Hexter, Suzannah V.; Grey, Felix; Happe, Thomas; Climent, Victor; Armstrong, Fraser A.</p> <p>2012-01-01</p> <p>The extraordinary ability of Fe- and Ni-containing enzymes to catalyze rapid and efficient H+/H2 interconversion—a property otherwise exclusive to platinum metals—has been investigated in a series of experiments combining variable-temperature protein film voltammetry with mathematical modeling. The results highlight important differences between the catalytic performance of [FeFe]-hydrogenases and [NiFe]-hydrogenases and justify a simple model for reversible catalytic electron flow in enzymes and electrocatalysts that should be widely applicable in fields as diverse as electrochemistry, catalysis, and bioenergetics. The active site of [FeFe]-hydrogenases, an intricate Fe-carbonyl complex known as the “H cluster,” emerges as a supreme catalyst. PMID:22802675</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016VSD....54..301X','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016VSD....54..301X"><span>Numerical analysis of the dynamic interaction between wheel set and turnout crossing using the explicit finite element method</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Xin, L.; Markine, V. L.; Shevtsov, I. Y.</p> <p>2016-03-01</p> <p>A three-dimensional (3-D) explicit dynamic finite element (FE) model is developed to simulate the impact of the wheel on the crossing nose. The model consists of a wheel set moving over the turnout crossing. Realistic wheel, wing rail and crossing geometries have been used in the model. Using this model the dynamic responses of the system such as the contact forces between the wheel and the crossing, crossing nose displacements and accelerations, stresses in rail material as well as in sleepers and ballast can be obtained. Detailed analysis of the wheel set and crossing interaction using the local contact stress state in the rail is possible as well, which provides a good basis for prediction of the long-term behaviour of the crossing (fatigue analysis). In order to tune and validate the FE model field measurements conducted on several turnouts in the railway network in the Netherlands are used here. The parametric study including variations of the crossing nose geometries performed here demonstrates the capabilities of the developed model. The results of the validation and parametric study are presented and discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AIPC.1793h0003D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AIPC.1793h0003D"><span>Finite element code development for modeling detonation of HMX composites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Duran, Adam V.; Sundararaghavan, Veera</p> <p>2017-01-01</p> <p>In this work, we present a hydrodynamics code for modeling shock and detonation waves in HMX. A stable efficient solution strategy based on a Taylor-Galerkin finite element (FE) discretization was developed to solve the reactive Euler equations. In our code, well calibrated equations of state for the solid unreacted material and gaseous reaction products have been implemented, along with a chemical reaction scheme and a mixing rule to define the properties of partially reacted states. A linear Gruneisen equation of state was employed for the unreacted HMX calibrated from experiments. The JWL form was used to model the EOS of gaseous reaction products. It is assumed that the unreacted explosive and reaction products are in both pressure and temperature equilibrium. The overall specific volume and internal energy was computed using the rule of mixtures. Arrhenius kinetics scheme was integrated to model the chemical reactions. A locally controlled dissipation was introduced that induces a non-oscillatory stabilized scheme for the shock front. The FE model was validated using analytical solutions for SOD shock and ZND strong detonation models. Benchmark problems are presented for geometries in which a single HMX crystal is subjected to a shock condition.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1347860-interactions-between-fe-iii-oxides-fe-iii-phyllosilicates-during-microbial-reduction-natural-subsurface-sediments','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1347860-interactions-between-fe-iii-oxides-fe-iii-phyllosilicates-during-microbial-reduction-natural-subsurface-sediments"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Wu, T.; Griffin, A. M.; Gorski, C. A.</p> <p></p> <p>Dissimilatory microbial reduction of solid-phase Fe(III)-oxides and Fe(III)-bearing phyllosilicates (Fe(III)-phyllosilicates) is an important process in anoxic soils, sediments, and subsurface materials. Although various studies have documented the relative extent of microbial reduction of single-phase Fe(III)-oxides and Fe(III)-phyllosilicates, detailed information is not available on interaction between these two processes in situations where both phases are available for microbial reduction. The goal of this research was to use the model dissimilatory iron-reducing bacterium (DIRB) Geobacter sulfurreducens to study Fe(III)-oxide vs. Fe(III)-phyllosilicate reduction in a range of subsurface materials and Fe(III)-oxide stripped versions of the materials. Low temperature (12K) Mossbauer spectroscopy was usedmore » to infer changes in the relative abundances of Fe(III)-oxide, Fe(III)-phyllosilicate, and phyllosilicate-associated Fe(II) (Fe(II)-phyllosilicate). A Fe partitioning model was employed to analyze the fate of Fe(II) and assess the potential for abiotic Fe(II)-catalyzed reduction of Fe(III)-phyllosilicates. The results showed that in most cases Fe(III)- oxide utilization dominated (70-100 %) bulk Fe(III) reduction activity, and that electron transfer from oxide-derived Fe(II) played only a minor role (ca. 10-20 %) in Fe partitioning. In addition, the extent of Fe(III)-oxide reduction was positively correlated to surface area-normalized cation exchange capacity and the phyllosilicate-Fe(III)/total Fe(III) ratio, which suggests that the phyllosilicates in the natural sediments promoted Fe(III)-oxide reduction by binding of oxide-derived Fe(II), thereby enhancing Fe(III)-oxide reduction by reducing or delaying the inhibitory effect that Fe(II) accumulation on oxide and DIRB cell surfaces has on Fe(III)-oxide reduction. In general our results suggest that although Fe(III)-oxide reduction is likely to dominate bulk Fe(III) reduction in most subsurface sediments, Fe(II) binding by phyllosilicates is likely to play a key role in controlling the long-term kinetics of Fe(III)-oxide reduction.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23787405','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23787405"><span>Bioavailability of iron in geophagic earths and clay minerals, and their effect on dietary iron absorption using an in vitro digestion/Caco-2 cell model.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Seim, Gretchen L; Ahn, Cedric I; Bodis, Mary S; Luwedde, Flavia; Miller, Dennis D; Hillier, Stephen; Tako, Elad; Glahn, Raymond P; Young, Sera L</p> <p>2013-08-01</p> <p>Geophagy, the deliberate consumption of earth, is strongly associated with iron (Fe) deficiency. It has been proposed that geophagy may be practiced as a means to improve Fe status by increasing Fe intakes and, conversely, that geophagy may cause Fe deficiency by inhibiting Fe absorption. We tested these hypotheses by measuring Fe concentration and relative bioavailable Fe content of 12 samples of geophagic earth and 4 samples of pure clay minerals. Further, we assessed the impact of these samples on the bioavailability of Fe from an Fe-rich test meal (cooked white beans, WB). Fe concentrations were measured with inductively coupled plasma atomic emission spectroscopy. Fe bioavailability was determined using an in vitro digestion/Caco-2 cell model in which ferritin formation was used as an index of Fe bioavailability. Geophagic earth and clay mineral samples were evaluated with this model, both alone and in combination with WB (1 : 16 ratio, sample : WB). Median Fe concentration of the geophagic earth was 3485 (IQR 2462, 14 ,571) μg g⁻¹ and mean Fe concentration in the clay minerals was 2791 (±1782) μg g⁻¹. All specimens had Fe concentrations significantly higher (p ≤ 0.005) than the Fe concentration of WB (77 μg g⁻¹). Ferritin formation (i.e. Fe uptake) in cells exposed to geophagic earths and clay minerals was significantly lower than in cells exposed to WB (p ≤ 0.05) and Fe uptake responses of 11 of the 16 samples were not significantly different from the blank, indicating no bioavailable Fe. When samples were combined with WB, 5 of 16 had mean ferritin levels that were significantly lower (p ≤ 0.05, one tail) than the WB alone, indicating that the samples inhibited Fe uptake from the WB. None of the ferritin responses of cells exposed to both WB and earth/clay were significantly higher than WB alone. Thus, although geophagic earths and mineral clays are high in total Fe, very little of this Fe is bioavailable. Further, some geophagic earth and clay mineral samples inhibit Fe absorption from foods. In vivo research is warranted to confirm these observations and to determine if geophagic earth samples can be a source of Fe and/or inhibit Fe absorption.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006AGUSM.V44A..03D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006AGUSM.V44A..03D"><span>Modeling Equilibrium Fe Isotope Fractionation in Fe-Organic Complexes: Implications for the use of Fe Isotopes as a Biomarker and Trends Based on the Properties of Bound Ligands</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Domagal-Goldman, S.; Kubicki, J. D.</p> <p>2006-05-01</p> <p>Fe Isotopes have been proposed as a useful tracer of biological and geochemical processes. Key to understanding the effects these various processes have on Fe isotopes is accurate modeling of the reactions responsible for the isotope fractionations. In this study, we examined the theoretical basis for the claims that Fe isotopes can be used as a biomarker. This was done by using molecular orbital/density functional theory (MO/DFT) calculations to predict the equilibrium fractionation of Fe isotopes due to changes in the redox state and the bonding environment of Fe. Specifically, we predicted vibrational frequencies for iron desferrioxamine (Fe-DFOB), iron triscatechol (Fe(cat)3), iron trisoxalate (Fe(ox)3), and hexaaquo iron (Fe(H2O)6) for complexes containing both ferrous (Fe2+) and ferric (Fe3+) iron. Using these vibrational frequencies, we then predicted fractionation factors between these six complexes. The predicted fractionation factors resulting from changes in the redox state of Fe fell in the range 2.5- 3.5‰. The fractionation factors resulting from changes in the bonding environment of Fe ranged from 0.2 to 1.4‰. These results indicate that changes in the bonding strength of Fe ligands are less important to Fe isotope fractionation processes than are changes to the redox state of Fe. The implications for use of Fe as a tracer of biological processes is clear: abiological redox changes must be ruled out in a sample before Fe isotopes are considered as a potential biomarker. Furthermore, the use of Fe isotopes to measure the redox state of the Earths surface environment through time is supported by this work, since changes in the redox state of Fe appear to be the more important driver of isotopic fractionations. In addition to the large differences between redox-driven fractionations and ligand-driven fractionations, we will also show general trends in the demand for heavy Fe isotopes as a function of properties of the bound ligand. This will help the future analysis of Fe isotope fractionation. Future directions in the theoretical study of metal isotope fractionations will also be discussed, including the modeling of reactions on mineral surfaces.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4033299','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4033299"><span>Bioavailability of iron in geophagic earths and clay minerals, and their effect on dietary iron absorption using an in vitro digestion/Caco-2 cell model</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Seim, Gretchen L.; Ahn, Cedric I.; Bodis, Mary S.; Luwedde, Flavia; Miller, Dennis D.; Hillier, Stephen; Tako, Elad; Glahn, Raymond P.; Young, Sera L.</p> <p>2014-01-01</p> <p>Geophagy, the deliberate consumption of earth, is strongly associated with iron (Fe) deficiency. It has been proposed that geophagy may be practiced as a means to improve Fe status by increasing Fe intakes and, conversely, that geophagy may cause Fe deficiency by inhibiting Fe absorption. We tested these hypotheses by measuring Fe concentration and relative bioavailable Fe content of 12 samples of geophagic earth and 4 samples of pure clay minerals. Further, we assessed the impact of these samples on the bioavailability of Fe from an Fe-rich test meal (cooked white beans, WB). Fe concentrations were measured with inductively coupled plasma atomic emission spectroscopy. Fe bioavailability was determined using an in vitro digestion/Caco-2 cell model in which ferritin formation was used as an index of Fe bioavailability. Geophagic earth and clay mineral samples were evaluated with this model, both alone and in combination with WB (1:16 ratio, sample:WB). Median Fe concentration of the geophagic earth was 3485 (IQR 2462, 14571) μg/g and mean Fe concentration in the clay minerals was 2791 (± 1782) μg/g. All specimens had Fe concentrations significantly higher (p ≤ 0.005) than the Fe concentration of WB (77 μg/g). Ferritin formation (i.e. Fe uptake) in cells exposed to geophagic earths and clay minerals was significantly lower than in cells exposed to WB (p ≤ 0.05) and Fe uptake responses of 11 of the 16 samples were not significantly different from the blank, indicating no bioavailable Fe. When samples were combined with WB, 5 of 16 had mean ferritin levels that were significantly lower (p ≤ 0.05, one tail) than the WB alone, indicating that the samples inhibited Fe uptake from the WB. None of the ferritin responses of cells exposed to both WB and earth/clay were significantly higher than WB alone. Thus, although geophagic earths and mineral clays are high in total Fe, very little of this Fe is bioavailable. Further, some geophagic earth and clay mineral samples inhibit Fe absorption from foods. In vivo research is warranted to confirm these observations and to determine if geophagic earth samples can be a source of Fe and/or inhibit Fe absorption. PMID:23787405</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27173827','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27173827"><span>Characterization of three-dimensional anisotropic heart valve tissue mechanical properties using inverse finite element analysis.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Abbasi, Mostafa; Barakat, Mohammed S; Vahidkhah, Koohyar; Azadani, Ali N</p> <p>2016-09-01</p> <p>Computational modeling has an important role in design and assessment of medical devices. In computational simulations, considering accurate constitutive models is of the utmost importance to capture mechanical response of soft tissue and biomedical materials under physiological loading conditions. Lack of comprehensive three-dimensional constitutive models for soft tissue limits the effectiveness of computational modeling in research and development of medical devices. The aim of this study was to use inverse finite element (FE) analysis to determine three-dimensional mechanical properties of bovine pericardial leaflets of a surgical bioprosthesis under dynamic loading condition. Using inverse parameter estimation, 3D anisotropic Fung model parameters were estimated for the leaflets. The FE simulations were validated using experimental in-vitro measurements, and the impact of different constitutive material models was investigated on leaflet stress distribution. The results of this study showed that the anisotropic Fung model accurately simulated the leaflet deformation and coaptation during valve opening and closing. During systole, the peak stress reached to 3.17MPa at the leaflet boundary while during diastole high stress regions were primarily observed in the commissures with the peak stress of 1.17MPa. In addition, the Rayleigh damping coefficient that was introduced to FE simulations to simulate viscous damping effects of surrounding fluid was determined. Copyright © 2016 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19940004682&hterms=interior+design&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3Dinterior%2Bdesign','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19940004682&hterms=interior+design&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3Dinterior%2Bdesign"><span>Acoustic design criteria in a general system for structural optimization</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Brama, Torsten</p> <p>1990-01-01</p> <p>Passenger comfort is of great importance in most transport vehicles. For instance, in the new generation of regional turboprop aircraft, a low noise level is vital to be competitive on the market. The possibilities to predict noise levels analytically has improved rapidly in recent years. This will make it possible to take acoustic design criteria into account in early project stages. The development of the ASKA FE-system to include also acoustic analysis has been carried out at Saab Aircraft Division and the Aeronautical Research Institute of Sweden in a joint project. New finite elements have been developed to model the free fluid, porous damping materials, and the interaction between the fluid and structural degrees of freedom. The FE approach to the acoustic analysis is best suited for lower frequencies up to a few hundred Hz. For accurate analysis of interior cabin noise, large 3-D FE-models are built, but 2-D models are also considered to be useful for parametric studies and optimization. The interest is here focused on the introduction of an acoustic design criteria in the general structural optimization system OPTSYS available at the Saab Aircraft Division. The first implementation addresses a somewhat limited class of problems. The problems solved are formulated: Minimize the structural weight by modifying the dimensions of the structure while keeping the noise level in the cavity and other structural design criteria within specified limits.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/901151','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/901151"><span>Atomic-Scale Design of Iron Fischer-Tropsch Catalysts: A Combined Computational Chemistry, Experimental, and Microkinetic Modeling Approach</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Manos Mavrikakis; James A. Dumesic; Rahul P. Nabar</p> <p>2006-09-29</p> <p>Work continued on the development of a microkinetic model of Fischer-Tropsch synthesis (FTS) on supported and unsupported Fe catalysts. The following aspects of the FT mechanism on unsupported iron catalysts were investigated on during this third year: (1) the collection of rate data in a Berty CSTR reactor based on sequential design of experiments; (2) CO adsorption and CO-TPD for obtaining the heat of adsorption of CO on polycrystalline iron; and (3) isothermal hydrogenation (IH) after Fischer Tropsch reaction to identify and quantify surface carbonaceous species. Rates of C{sub 2+} formation on unsupported iron catalysts at 220 C and 20more » atm correlated well to a Langmuir-Hinshelwood type expression, derived assuming carbon hydrogenation to CH and OH recombination to water to be rate-determining steps. From desorption of molecularly adsorbed CO at different temperatures the heat of adsorption of CO on polycrystalline iron was determined to be 100 kJ/mol. Amounts and types of carbonaceous species formed after FT reaction for 5-10 minutes at 150, 175, 200 and 285 C vary significantly with temperature. Mr. Brian Critchfield completed his M.S. thesis work on a statistically designed study of the kinetics of FTS on 20% Fe/alumina. Preparation of a paper describing this work is in progress. Results of these studies were reported at the Annual Meeting of the Western States Catalysis and at the San Francisco AIChE meeting. In the coming period, studies will focus on quantitative determination of the rates of kinetically-relevant elementary steps on unsupported Fe catalysts with/without K and Pt promoters by SSITKA method. This study will help us to (1) understand effects of promoter and support on elementary kinetic parameters and (2) build a microkinetics model for FTS on iron. Calculations using periodic, self-consistent Density Functional Theory (DFT) methods were performed on models of defected Fe surfaces, most significantly the stepped Fe(211) surface. Binding Energies (BE's), preferred adsorption sites and geometries of all the FTS relevant stable species and intermediates were evaluated. Each elementary step of our reaction model was fully characterized with respect to its thermochemistry and comparisons between the stepped Fe(211) facet and the most-stable Fe(110) facet were established. In most cases the BE's on Fe(211) reflected the trends observed earlier on Fe(110), yet there were significant variations imposed on the underlying trends. Vibrational frequencies were evaluated for the preferred adsorption configurations of each species with the aim of evaluating the entropy-changes and preexponential factors for each elementary step. Kinetic studies were performed for the early steps of FTS (up to CH{sub 4} formation) and CO dissociation. This involved evaluation of the Minimum Energy Pathway (MEP) and activation energy barrier for the steps involved. We concluded that Fe(211) would allow for far more facile CO dissociation in comparison to other Fe catalysts studied so far, but the other FTS steps studied remained mostly unchanged.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016E%26PSL.447...72Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016E%26PSL.447...72Z"><span>Temperature of Earth's core constrained from melting of Fe and Fe0.9Ni0.1 at high pressures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhang, Dongzhou; Jackson, Jennifer M.; Zhao, Jiyong; Sturhahn, Wolfgang; Alp, E. Ercan; Hu, Michael Y.; Toellner, Thomas S.; Murphy, Caitlin A.; Prakapenka, Vitali B.</p> <p>2016-08-01</p> <p>The melting points of fcc- and hcp-structured Fe0.9Ni0.1 and Fe are measured up to 125 GPa using laser heated diamond anvil cells, synchrotron Mössbauer spectroscopy, and a recently developed fast temperature readout spectrometer. The onset of melting is detected by a characteristic drop in the time-integrated synchrotron Mössbauer signal which is sensitive to atomic motion. The thermal pressure experienced by the samples is constrained by X-ray diffraction measurements under high pressures and temperatures. The obtained best-fit melting curves of fcc-structured Fe and Fe0.9Ni0.1 fall within the wide region bounded by previous studies. We are able to derive the γ-ɛ-l triple point of Fe and the quasi triple point of Fe0.9Ni0.1 to be 110 ± 5GPa, 3345 ± 120K and 116 ± 5GPa, 3260 ± 120K, respectively. The measured melting temperatures of Fe at similar pressure are slightly higher than those of Fe0.9Ni0.1 while their one sigma uncertainties overlap. Using previously measured phonon density of states of hcp-Fe, we calculate melting curves of hcp-structured Fe and Fe0.9Ni0.1 using our (quasi) triple points as anchors. The extrapolated Fe0.9Ni0.1 melting curve provides an estimate for the upper bound of Earth's inner core-outer core boundary temperature of 5500 ± 200K. The temperature within the liquid outer core is then approximated with an adiabatic model, which constrains the upper bound of the temperature at the core side of the core-mantle boundary to be 4000 ± 200K. We discuss a potential melting point depression caused by light elements and the implications of the presented core-mantle boundary temperature bounds on phase relations in the lowermost part of the mantle.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3764369','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3764369"><span>New insights into Fe localization in plant tissues</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Roschzttardtz, Hannetz; Conéjéro, Geneviève; Divol, Fanchon; Alcon, Carine; Verdeil, Jean-Luc; Curie, Catherine; Mari, Stéphane</p> <p>2013-01-01</p> <p>Deciphering cellular iron (Fe) homeostasis requires having access to both quantitative and qualitative information on the subcellular pools of Fe in tissues and their dynamics within the cells. We have taken advantage of the Perls/DAB Fe staining procedure to perform a systematic analysis of Fe distribution in roots, leaves and reproductive organs of the model plant Arabidopsis thaliana, using wild-type and mutant genotypes affected in iron transport and storage. Roots of soil-grown plants accumulate iron in the apoplast of the central cylinder, a pattern that is strongly intensified when the citrate effluxer FRD3 is not functional, thus stressing the importance of citrate in the apoplastic movement of Fe. In leaves, Fe level is low and only detected in and around vascular tissues. In contrast, Fe staining in leaves of iron-treated plants extends in the surrounding mesophyll cells where Fe deposits, likely corresponding to Fe-ferritin complexes, accumulate in the chloroplasts. The loss of ferritins in the fer1,3,4 triple mutant provoked a massive accumulation of Fe in the apoplastic space, suggesting that in the absence of iron buffering in the chloroplast, cells activate iron efflux and/or repress iron influx to limit the amount of iron in the cell. In flowers, Perls/DAB staining has revealed a major sink for Fe in the anthers. In particular, developing pollen grains accumulate detectable amounts of Fe in small-size intracellular bodies that aggregate around the vegetative nucleus at the binuclear stage and that were identified as amyloplasts. In conclusion, using the Perls/DAB procedure combined to selected mutant genotypes, this study has established a reliable atlas of Fe distribution in the main Arabidopsis organs, proving and refining long-assumed intracellular locations and uncovering new ones. This “iron map” of Arabidopsis will serve as a basis for future studies of possible actors of iron movement in plant tissues and cell compartments. PMID:24046774</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1340498-temperature-earth-core-constrained-from-melting-fe-fe0-high-pressures','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1340498-temperature-earth-core-constrained-from-melting-fe-fe0-high-pressures"><span>Temperature of Earth's core constrained from melting of Fe and Fe 0.9Ni 0.1 at high pressures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Zhang, Dongzhou; Jackson, Jennifer M.; Zhao, Jiyong</p> <p></p> <p>The melting points of fcc- and hcp-structured Fe 0.9Ni 0.1 and Fe are measured up to 125 GPa using laser heated diamond anvil cells, synchrotron Mossbauer spectroscopy, and a recently developed fast temperature readout spectrometer. The onset of melting is detected by a characteristic drop in the time integrated synchrotron Mfissbauer signal which is sensitive to atomic motion. The thermal pressure experienced by the samples is constrained by X-ray diffraction measurements under high pressures and temperatures. The obtained best-fit melting curves of fcc-structured Fe and Fe 0.9Ni 0.1 fall within the wide region bounded by previous studies. We are ablemore » to derive the gamma-is an element of-1 triple point of Fe and the quasi triple point of Fe0.9Ni0.1 to be 110 ± 5 GPa, 3345 ± 120 K and 116 ± 5 GPa, 3260 ± 120 K, respectively. The measured melting temperatures of Fe at similar pressure are slightly higher than those of Fe 0.9Ni 0.1 while their one sigma uncertainties overlap. Using previously measured phonon density of states of hcp-Fe, we calculate melting curves of hcp-structured Fe and Fe 0.9Ni 0.1 using our (quasi) triple points as anchors. The extrapolated Fe 0.9Ni 0.1 melting curve provides an estimate for the upper bound of Earth's inner core-outer core boundary temperature of 5500 ± 200 K. The temperature within the liquid outer core is then approximated with an adiabatic model, which constrains the upper bound of the temperature at the core side of the core -mantle boundary to be 4000 ± 200 K. We discuss a potential melting point depression caused by light elements and the implications of the presented core -mantle boundary temperature bounds on phase relations in the lowermost part of the mantle.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://rosap.ntl.bts.gov/view/dot/30747','DOTNTL'); return false;" href="https://rosap.ntl.bts.gov/view/dot/30747"><span>Finite element analysis of the lateral load test on battered pile group at I-10 twin span bridge : research project capsule.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntlsearch.bts.gov/tris/index.do">DOT National Transportation Integrated Search</a></p> <p></p> <p>2016-04-01</p> <p>The objectives of this research study are to develop a three-dimensional FE : model for simulating the behavior of a battered pile group foundation subjected : to lateral loading, and to verify the model using results from a unique static : lateral l...</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2003IJNAM..27..425L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2003IJNAM..27..425L"><span>Capturing strain localization behind a geosynthetic-reinforced soil wall</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lai, Timothy Y.; Borja, Ronaldo I.; Duvernay, Blaise G.; Meehan, Richard L.</p> <p>2003-04-01</p> <p>This paper presents the results of finite element (FE) analyses of shear strain localization that occurred in cohesionless soils supported by a geosynthetic-reinforced retaining wall. The innovative aspects of the analyses include capturing of the localized deformation and the accompanying collapse mechanism using a recently developed embedded strong discontinuity model. The case study analysed, reported in previous publications, consists of a 3.5-m tall, full-scale reinforced wall model deforming in plane strain and loaded by surcharge at the surface to failure. Results of the analysis suggest strain localization developing from the toe of the wall and propagating upward to the ground surface, forming a curved failure surface. This is in agreement with a well-documented failure mechanism experienced by the physical wall model showing internal failure surfaces developing behind the wall as a result of the surface loading. Important features of the analyses include mesh sensitivity studies and a comparison of the localization properties predicted by different pre-localization constitutive models, including a family of three-invariant elastoplastic constitutive models appropriate for frictional/dilatant materials. Results of the analysis demonstrate the potential of the enhanced FE method for capturing a collapse mechanism characterized by the presence of a failure, or slip, surface through earthen materials.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li class="active"><span>22</span></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_22 --> <div id="page_23" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li class="active"><span>23</span></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="441"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://pubs.er.usgs.gov/publication/70037052','USGSPUBS'); return false;" href="https://pubs.er.usgs.gov/publication/70037052"><span>Reactive transport modeling to study changes in water chemistry induced by CO2 injection at the Frio-I Brine Pilot</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://pubs.er.usgs.gov/pubs/index.jsp?view=adv">USGS Publications Warehouse</a></p> <p>Xu, T.; Kharaka, Y.K.; Doughty, C.; Freifeld, B.M.; Daley, T.M.</p> <p>2010-01-01</p> <p>To demonstrate the potential for geologic storage of CO2 in saline aquifers, the Frio-I Brine Pilot was conducted, during which 1600 tons of CO2 were injected into a high-permeability sandstone and the resulting subsurface plume of CO2 was monitored using a variety of hydrogeological, geophysical, and geochemical techniques. Fluid samples were obtained before CO2 injection for baseline geochemical characterization, during the CO2 injection to track its breakthrough at a nearby observation well, and after injection to investigate changes in fluid composition and potential leakage into an overlying zone. Following CO2 breakthrough at the observation well, brine samples showed sharp drops in pH, pronounced increases in HCO3- and aqueous Fe, and significant shifts in the isotopic compositions of H2O and dissolved inorganic carbon. Based on a calibrated 1-D radial flow model, reactive transport modeling was performed for the Frio-I Brine Pilot. A simple kinetic model of Fe release from the solid to aqueous phase was developed, which can reproduce the observed increases in aqueous Fe concentration. Brine samples collected after half a year had lower Fe concentrations due to carbonate precipitation, and this trend can be also captured by our modeling. The paper provides a method for estimating potential mobile Fe inventory, and its bounding concentration in the storage formation from limited observation data. Long-term simulations show that the CO2 plume gradually spreads outward due to capillary forces, and the gas saturation gradually decreases due to its dissolution and precipitation of carbonates. The gas phase is predicted to disappear after 500 years. Elevated aqueous CO2 concentrations remain for a longer time, but eventually decrease due to carbonate precipitation. For the Frio-I Brine Pilot, all injected CO2 could ultimately be sequestered as carbonate minerals. ?? 2010 Elsevier B.V.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AIPC.1892d0016G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AIPC.1892d0016G"><span>Adsorptive removal of dissolved organic matter (DOM) in landfill leachate by iron oxide nanoparticles (FeONPs)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ghani, Zaidi Ab; Yusoff, Mohd Suffian; Zaman, Nastaein Qamaruz; Andas, Jeyashelly; Aziz, Hamidi Abdul</p> <p>2017-10-01</p> <p>A study was conducted to investigate the efficiency of iron oxide nanoparticle (FeONPs) adsorption for removing of DOM in landfill leachate. FeONPs was directly prepared via sodium borohydride (KBH4) reduction method. Adsorption kinetics, isotherm and thermodynamic studies were developed to design the model for DOM removal. Pseudo first-order and pseudo second-order model have been studied to fit the experimental data. The regression results showed that the adsorption kinetics were more accurately represented by a pseudo second-order model. The Weber-Morris intraparticle diffusion model was used to analyze the adsorption kinetics data. The plot of qt versus t1/2 represents multi linearity, which showed that the adsorption processes occurred in more than one step. Adsorption isotherms were analyzed by Langmuir, Freundlich, Tempkin and Dubinin-Radushkevich, isotherms model. Equilibrium data were well fitted to the Dubinin- Radushkevich isotherm model. Maximum monolayer adsorption based on Langmuir was calculated to be 21.74 mg/g. Thermodynamic parameters such as free energy changes (ΔG°), enthalpy (ΔH°) and entropy (ΔS°) were evaluated between temperatures of 25 °C and 40 °C. The ΔG° was noticed progressively decrease from -9.620 -9.820 -10.021, and -10.222 kJ/mol as the temperature increase. The ΔH° and ΔS° values were found to be 2.350 kJ/mol and 40.165 J/mol.K respectively. The results showed that the overall adsorption process was endothermic and spontaneous. The results from this study suggested that FeNPs could be a viable adsorbent in managing higher DOM problems associated with landfill leachate.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23181631','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23181631"><span>Development of a patient-specific anatomical foot model from structured light scan data.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Lochner, Samuel J; Huissoon, Jan P; Bedi, Sanjeev S</p> <p>2014-01-01</p> <p>The use of anatomically accurate finite element (FE) models of the human foot in research studies has increased rapidly in recent years. Uses for FE foot models include advancing knowledge of orthotic design, shoe design, ankle-foot orthoses, pathomechanics, locomotion, plantar pressure, tissue mechanics, plantar fasciitis, joint stress and surgical interventions. Similar applications but for clinical use on a per-patient basis would also be on the rise if it were not for the high costs associated with developing patient-specific anatomical foot models. High costs arise primarily from the expense and challenges of acquiring anatomical data via magnetic resonance imaging (MRI) or computed tomography (CT) and reconstructing the three-dimensional models. The proposed solution morphs detailed anatomy from skin surface geometry and anatomical landmarks of a generic foot model (developed from CT or MRI) to surface geometry and anatomical landmarks acquired from an inexpensive structured light scan of a foot. The method yields a patient-specific anatomical foot model at a fraction of the cost of standard methods. Average error for bone surfaces was 2.53 mm for the six experiments completed. Highest accuracy occurred in the mid-foot and lowest in the forefoot due to the small, irregular bones of the toes. The method must be validated in the intended application to determine if the resulting errors are acceptable.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015APS..SHK.F3002D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015APS..SHK.F3002D"><span>Finite element code development for modeling detonation of HMX composites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Duran, Adam; Sundararaghavan, Veera</p> <p>2015-06-01</p> <p>In this talk, we present a hydrodynamics code for modeling shock and detonation waves in HMX. A stable efficient solution strategy based on a Taylor-Galerkin finite element (FE) discretization was developed to solve the reactive Euler equations. In our code, well calibrated equations of state for the solid unreacted material and gaseous reaction products have been implemented, along with a chemical reaction scheme and a mixing rule to define the properties of partially reacted states. A linear Gruneisen equation of state was employed for the unreacted HMX calibrated from experiments. The JWL form was used to model the EOS of gaseous reaction products. It is assumed that the unreacted explosive and reaction products are in both pressure and temperature equilibrium. The overall specific volume and internal energy was computed using the rule of mixtures. Arrhenius kinetics scheme was integrated to model the chemical reactions. A locally controlled dissipation was introduced that induces a non-oscillatory stabilized scheme for the shock front. The FE model was validated using analytical solutions for sod shock and ZND strong detonation models and then used to perform 2D and 3D shock simulations. We will present benchmark problems for geometries in which a single HMX crystal is subjected to a shock condition. Our current progress towards developing microstructural models of HMX/binder composite will also be discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013JPhD...46l5304K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013JPhD...46l5304K"><span>Negative capacitance in (FeCoZr)-(PZT) nanocomposite films</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kołtunowicz, T. N.; Fedotova, J. A.; Zhukowski, P.; Saad, A.; Fedotov, A.; Kasiuk, J. V.; Larkin, A. V.</p> <p>2013-03-01</p> <p>In this work, attention was focused on the inductive contribution to the real part of admittance G(T, f) in (Fe0.45Co0.45Zr0.10)x(PZT)(1-x) nanocomposite films deposited in a mixed argon-oxygen atmosphere. The observed G(x, f, T) dependences for the films on the dielectric side of the insulator-metal transition demonstrated the negative capacitance (NC) effect that was maximal for the nanocomposites with 0.40 < x < 0.60, where the metallic FeCoZr nanoparticles were totally oxidized. The NC effect was explained by a specially developed model for the ac hopping conductance of the electrons between the fully oxidized nanoparticles embedded in the PZT matrix. In accordance with the model, under the determined conditions the observed structure of nanocomposites led to an increase in the hopping electron mean lifetime on nanoparticles and hence to the possibility of positive angles of the phase shifts θ and a proper NC (inductive-like contribution) effect.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvB..96s5120L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvB..96s5120L"><span>Soft x-ray absorption spectroscopy study of the electronic structures of the MnFe Prussian blue analogs (RbxBay) Mn[3 -(x +2 y )]/2[Fe (CN) 6] H2O</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lee, Eunsook; Seong, Seungho; Kim, Hyun Woo; Kim, D. H.; Thakur, Nidhi; Yusuf, S. M.; Kim, Bongjae; Min, B. I.; Kim, Younghak; Kim, J.-Y.; de Groot, F. M. F.; Kang, J.-S.</p> <p>2017-11-01</p> <p>The electronic structures of Prussian blue analog (RbxBay) Mn[3 -(x +2 y )]/2[Fe (CN) 6] cyanides have been investigated by employing soft x-ray absorption spectroscopy (XAS) and magnetic circular dichroism (XMCD) at the Fe and Mn L (2 p ) edges. The measured XAS spectra have been analyzed with the configuration-interaction (CI) cluster model calculations. The valence states of the Fe and Mn ions are found to be Fe2 +-Fe3 + mixed valent, with an average valency of v (Fe )˜2.8 and nearly divalent (Mn2 +), respectively. Our Mn/Fe 2 p XMCD study supports that Mn2 + ions are in the high-spin states while Fe2 +-Fe3 + ions are in the low-spin states. The Fe and Mn 2 p XAS spectra are found to be essentially the same for 80 ≤T ≤ 300 K, suggesting that a simple charge transfer upon cooling from Fe3 +-CN -Mn2 + to Fe2 +-CN -Mn3 + does not occur in (RbxBay) Mn[3 -(x +2 y )]/2[Fe (CN) 6] . According to the CI cluster model analysis, it is necessary to take into account both the ligand-to-metal charge transfer and the metal-to-ligand charge transfer in describing Fe 2 p XAS, while the effect of charge transfer is negligible in describing Mn 2 p XAS. The CI cluster model analysis also shows that the trivalent Fe3 + ions have a strong covalent bonding with the C ≡N ligands and are under a large crystal-field energy of 10 D q ˜3 eV, in contrast to the weak covalency effect and a small 10 D q ˜0.6 eV for the divalent Mn2 + ions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3821933','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3821933"><span>Structural Basis for Assembly of the MnIV/FeIII Cofactor in the Class Ic Ribonucleotide Reductase from Chlamydia trachomatis‡</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Dassama, Laura M.K.; Krebs, Carsten; Bollinger, J. Martin; Rosenzweig, Amy C.; Boal, Amie K.</p> <p>2013-01-01</p> <p>The class Ic ribonucleotide reductase (RNR) from Chlamydia trachomatis (Ct) employs a MnIV/FeIII cofactor in each monomer of its β2 subunit to initiate nucleotide reduction. The cofactor forms by reaction of MnII/FeII-β2 with O2. Previously, in vitro cofactor assembly from apo β2 and divalent metal ions produced a mixture of two forms, with Mn in site 1 (MnIV/FeIII) or site 2 (FeIII/MnIV), of which the more active MnIV/FeIII product predominates. Here we have addressed the basis for metal site-selectivity by solving X-ray crystal structures of apo, MnII, and MnII/FeII complexes of Ct β2. A structure obtained anaerobically with equimolar MnII, FeII, and apo protein reveals exclusive incorporation of MnII in site 1 and FeII in site 2, in contrast to the more modest site-selectivity achieved previously. Site-specificity is controlled thermodynamically by the apo protein structure, as only minor adjustments of ligands occur upon metal binding. Additional structures imply that, by itself, MnII binds in either site. Together the structures are consistent with a model for in vitro cofactor assembly in which FeII specificity for site 2 drives assembly of the appropriately configured heterobimetallic center, provided that FeII is substoichiometric. This model suggests that use of an MnIV/FeIII cofactor in vivo could be an adaptation to FeII limitation. A 1.8 Å resolution model of the MnII/FeII-β2 complex reveals additional structural determinants for activation of the cofactor, including a proposed site for side-on (η2) addition of O2 to FeII and a short (3.2 Å) MnII-FeII interionic distance, promoting formation of the MnIV/FeIV activation intermediate. PMID:23924396</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/494107','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/494107"><span>Development of weldable, corrosion-resistant iron-aluminide (FeAl) alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Maziasz, P.J.; Goodwin, G.M.; Wang, X.L.</p> <p>1997-04-01</p> <p>A boron-microalloyed FeAl alloy (Fe-36Al-0.2Mo-0.05Zr-0.13C, at.%, with 100-400 appm B) with improved weldability and mechanical properties was developed in FY 1994. A new scale-up and industry technology development phase for this work began in FY 1995, pursuing two parallel paths. One path was developing monolithic FeAl component and application technology, and the other was developing coating/cladding technology for alloy steels, stainless steels and other Fe-Cr-Ni alloys. In FY 1995, it was found that cast FeAl alloys had good strength at 700-750{degrees}C, and some (2.5%) ductility in air at room-temperature. Hot-extruded FeAl with refined grain size was found to have ductilitymore » and to also have good impact-toughness at room-temperature. Further, it was discovered that powder-metallurgy (P/M) FeAl, consolidated by direct hot-extrusion at 950-1000{degrees}C to have an ultra fine-grained microstructure, had the highest ductility, strength and impact-toughness ever seen in such intermetallic alloys.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5791995','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5791995"><span>Effects of environmental Bisphenol A exposures on germ cell development and Leydig cell function in the human fetal testis</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Guerquin, Marie-Justine; Matilionyte, Gabriele; Kilcoyne, Karen; N’Tumba-Byn, Thierry; Messiaen, Sébastien; Deceuninck, Yoann; Pozzi-Gaudin, Stéphanie; Benachi, Alexandra; Livera, Gabriel; Antignac, Jean-Philippe; Mitchell, Rod; Rouiller-Fabre, Virginie</p> <p>2018-01-01</p> <p>Background Using an organotypic culture system termed human Fetal Testis Assay (hFeTA) we previously showed that 0.01 μM BPA decreases basal, but not LH-stimulated, testosterone secreted by the first trimester human fetal testis. The present study was conducted to determine the potential for a long-term antiandrogenic effect of BPA using a xenograft model, and also to study the effect of BPA on germ cell development using both the hFETA and xenograft models. Methods Using the hFeTA system, first trimester testes were cultured for 3 days with 0.01 to 10 μM BPA. For xenografts, adult castrate male nude mice were injected with hCG and grafted with first trimester testes. Host mice received 10 μM BPA (~ 500 μg/kg/day) in their drinking water for 5 weeks. Plasma levels of total and unconjugated BPA were 0.10 μM and 0.038 μM respectively. Mice grafted with second trimester testes received 0.5 and 50 μg/kg/day BPA by oral gavage for 5 weeks. Results With first trimester human testes, using the hFeTA model, 10 μM BPA increased germ cell apoptosis. In xenografts, germ cell density was also reduced by BPA exposure. Importantly, BPA exposure significantly decreased the percentage of germ cells expressing the pluripotency marker AP-2γ, whilst the percentage of those expressing the pre-spermatogonial marker MAGE-A4 significantly increased. BPA exposure did not affect hCG-stimulated androgen production in first and second trimester xenografts as evaluated by both plasma testosterone level and seminal vesicle weight in host mice. Conclusions Exposure to BPA at environmentally relevant concentrations impairs germ cell development in first trimester human fetal testis, whilst gonadotrophin-stimulated testosterone production was unaffected in both first and second trimester testis. Studies using first trimester human fetal testis demonstrate the complementarity of the FeTA and xenograft models for determining the respective short-term and long term effects of environmental exposures. PMID:29385186</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24345023','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24345023"><span>Improving Hybrid III injury assessment in steering wheel rim to chest impacts using responses from finite element Hybrid III and human body model.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Holmqvist, Kristian; Davidsson, Johan; Mendoza-Vazquez, Manuel; Rundberget, Peter; Svensson, Mats Y; Thorn, Stefan; Törnvall, Fredrik</p> <p>2014-01-01</p> <p>The main aim of this study was to improve the quality of injury risk assessments in steering wheel rim to chest impacts when using the Hybrid III crash test dummy in frontal heavy goods vehicle (HGV) collision tests. Correction factors for chest injury criteria were calculated as the model chest injury parameter ratios between finite element (FE) Hybrid III, evaluated in relevant load cases, and the Total Human Model for Safety (THUMS). This is proposed to be used to compensate Hybrid III measurements in crash tests where steering wheel rim to chest impacts occur. The study was conducted in an FE environment using an FE-Hybrid III model and the THUMS. Two impactor shapes were used, a circular hub and a long, thin horizontal bar. Chest impacts at velocities ranging from 3.0 to 6.0 m/s were simulated at 3 impact height levels. A ratio between FE-Hybrid III and THUMS chest injury parameters, maximum chest compression C max, and maximum viscous criterion VC max, were calculated for the different chest impact conditions to form a set of correction factors. The definition of the correction factor is based on the assumption that the response from a circular hub impact to the middle of the chest is well characterized and that injury risk measures are independent of impact height. The current limits for these chest injury criteria were used as a basis to develop correction factors that compensate for the limitations in biofidelity of the Hybrid III in steering wheel rim to chest impacts. The hub and bar impactors produced considerably higher C max and VC max responses in the THUMS compared to the FE-Hybrid III. The correction factor for the responses of the FE-Hybrid III showed that the criteria responses for the bar impactor were consistently overestimated. Ratios based on Hybrid III and THUMS responses provided correction factors for the Hybrid III responses ranging from 0.84 to 0.93. These factors can be used to estimate C max and VC max values when the Hybrid III is used in crash tests for which steering wheel rim to chest interaction occurs. For the FE-Hybrid III, bar impacts caused higher chest deflection compared to hub impacts, although the contrary results were obtained with the more humanlike THUMS. Correction factors were developed that can be used to correct the Hybrid III chest responses. Higher injury criteria capping limits for steering wheel impacts are acceptable. Supplemental materials are available for this article. Go to the publisher's online edition of Traffic Injury Prevention to view the supplemental file.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21867031','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21867031"><span>Antiferromagnetic spin fluctuations and unconventional nodeless superconductivity in an iron-based new superconductor (Ca4Al2O(6-y))(Fe2As2): 75As nuclear quadrupole resonance study.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kinouchi, H; Mukuda, H; Yashima, M; Kitaoka, Y; Shirage, P M; Eisaki, H; Iyo, A</p> <p>2011-07-22</p> <p>We report 75As nuclear quadrupole resonance studies on (Ca4Al2O(6-y))(Fe2As2) with T(c) = 27 K. Measurement of nuclear-spin-relaxation rate 1/T1 has revealed a significant development of two-dimensional antiferromagnetic spin fluctuations down to T(c) in association with the smallest As-Fe-As bond angle. Below T(c), the temperature dependence of 1/T1 without any trace of the coherence peak is well accounted for by a nodeless s(±)-wave multiple-gaps model. From the fact that its T(c) is comparable to T(c) = 28 K in the optimally doped LaFeAsO(1-y) in which antiferromagnetic spin fluctuations are not dominant, we remark that antiferromagnetic spin fluctuations are not a unique factor for enhancing T(c) among Fe-based superconductors, but a condition for optimizing superconductivity should be addressed from the lattice structure point of view.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhyB..525...12V','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhyB..525...12V"><span>Development of flexible Ni80Fe20 magnetic nano-thin films</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Vopson, M. M.; Naylor, J.; Saengow, T.; Rogers, E. G.; Lepadatu, S.; Fetisov, Y. K.</p> <p>2017-11-01</p> <p>Flexible magnetic Ni80Fe20 thin films with excellent adhesion, mechanical and magnetic properties have been fabricated using magnetron plasma deposition. We demonstrate that flexible Ni80Fe20 thin films maintain their non-flexible magnetic properties when the films are over 60 nm thick. However, when their thickness is reduced, the flexible thin films display significant increase in their magnetic coercive field compared to identical films coated on a solid Silicon substrate. For a 15 nm flexible Ni80Fe20 film coated onto 110 μm Polyvinylidene fluoride polymer substrate, we achieved a remarkable 355% increase in the magnetic coercive field relative to the same film deposited onto a Si substrate. Experimental evidence, backed by micro-magnetic modelling, indicates that the increase in the coercive fields is related to the larger roughness texture of the flexible substrates. This effect essentially transforms soft Ni80Fe20 permalloy thin films into medium/hard magnetic films allowing not only mechanical flexibility of the structure, but also fine tuning of their magnetic properties.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016APS..MAR.T1079A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016APS..MAR.T1079A"><span>Magnetic and Ferroelectric Anisotropy in Multiferroic FeVO4</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Abdelhamid, Ehab; Dixit, Ambesh; Kimura, Kenta; Kimura, Tsuyoshi; Jayakumar, Onattu; Naik, Vaman; Naik, Ratna; Lawes, Gavin; Nadgorny, Boris</p> <p></p> <p>FeVO4 has been studied as a model system for understanding the magnetoelectric interaction mechanisms in low symmetry multiferroics. Triclinic FeVO4 is characterized by two antiferromagnetic phase transitions, occurring at TN 1 = 22 K and TN 2 = 15 K, with the latter transition signaling a break in the space inversion symmetry, accompanied by the development of a non-collinear magnetic order which induces ferroelectricity. Earlier measurements on polycrystalline FeVO4 doped with magnetic (Cr and Mn) as well as non magnetic (Zn) dopants indicate the stability of the two antiferromagnetic transition temperatures. In this work, single crystals of both undoped and doped FeVO4 were grown from flux. To track the changes in lattice parameters induced by changing the doping concentration (measured by EDAX), XRD and Raman spectra were obtained. By recording the magnetization along two different crystal orientations, we were able to confirm the easy magnetic axis in this structure. Finally, we obtain the crystal's ferroelectric polarization along two different directions in an attempt to further understand the mechanism responsible for the ferroelectric transition. This work is supported by the NSF under DMR-1306449.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1430703','SCIGOV-DOEDE'); return false;" href="https://www.osti.gov/servlets/purl/1430703"><span>Modeling Anaerobic Soil Organic Carbon Decomposition in Arctic Polygon Tundra: Insights into Soil Geochemical Influences on Carbon Mineralization: Modeling Archive</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/dataexplorer">DOE Data Explorer</a></p> <p>Zheng, Jianqiu; Thornton, Peter; Painter, Scott; Gu, Baohua; Wullschleger, Stan; Graham, David</p> <p>2018-06-13</p> <p>This anaerobic carbon decomposition model is developed with explicit representation of fermentation, methanogenesis and iron reduction by combining three well-known modeling approaches developed in different disciplines. A pool-based model to represent upstream carbon transformations and replenishment of DOC pool, a thermodynamically-based model to calculate rate kinetics and biomass growth for methanogenesis and Fe(III) reduction, and a humic ion-binding model for aqueous phase speciation and pH calculation are implemented into the open source geochemical model PHREEQC (V3.0). Installation of PHREEQC is required to run this model.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AIPA....8e6219B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AIPA....8e6219B"><span>Low temperature texture development in Nd2Fe14B/α-Fe nanocomposite magnets via equal channel angular pressing</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Besley, L.; Garitaonandia, J. S.; Molotnikov, A.; Kishimoto, H.; Kato, A.; Davies, C.; Suzuki, K.</p> <p>2018-05-01</p> <p>While suitable texture has been developed in Nd2Fe14B/α-Fe nanocomposites via thermomechanical processing methods such as die upsetting by incorporating low melting point eutectic Nd-Cu additives, significant grain coarsening occurs during this process due to the high temperature and long timescales involved, resulting in a loss of exchange coupling. Equal channel angular pressing (ECAP) is a severe plastic deformation technique which has been successfully used to produce a suitable texture in single-phase Nd2Fe14B at temperatures on the order of 500°C while preserving grain sizes on the order of 20-30nm. We investigate the development of texture in a commercial Nd2Fe14B/α-Fe nanocomposite alloy with added Nd90Cu10 produced via ECAP and then characterise it using texture x-ray diffraction and magnetic measurements. It is found that initial texture can be developed in this nanocomposite system at T = 520°C via ECAP. The average grain size of Nd2Fe14B as measured via X-ray diffraction after ECAP remains below 50nm with a developed texture. The effect of varying the amount of Nd90Cu10 additive is also investigated. It is found that with decreasing Nd90Cu10, the degree of texture is reduced while the volume fraction of α-Fe increases. This work demonstrates the development of texture in nanocomposite Nd2Fe14B/α-Fe with Nd-Cu additives whilst maintaining a grain size of approximately 50nm.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008HyInt.185...47S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008HyInt.185...47S"><span>Dimeric Fe (II, III) complex of quinoneoxime as functional model of PAP enzyme: Mössbauer, magneto-structural and DNA cleavage studies</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Salunke-Gawali, Sunita; Ahmed, Khursheed; Varret, François; Linares, Jorge; Zaware, Santosh; Date, Sadgopal; Rane, Sandhya</p> <p>2008-07-01</p> <p>Purple acid phosphatase, ( PAP), is known to contain dinuclear Fe2 + 2, + 3 site with characteristic Fe + 3 ← Tyr ligand to metal charge transfer in coordination. Phthiocoloxime (3-methyl-2-hydroxy-1,4-naphthoquinone-1-oxime) ligand L, mimics (His/Tyr) ligation with controlled and unique charge transfers resulting in valence tautomeric coordination with mixed valent diiron site in model compound Fe-1: [μ-OH-Fe2 + 2, + 3 ( o-NQCH3ox) ( o-NSQCH3ox)2 (CAT) H2O]. Fe-2: [Fe + 3( o-NQCH3ox) ( p-NQCH3ox)2]2 a molecularly associated dimer of phthiocoloxime synthesized for comparison of charge transfer. 57Fe Mössbauer studies was used to quantitize unusual valences due to ligand in dimeric Fe-1 and Fe-2 complexes which are supported by EPR and SQUID studies. 57Fe Mössbauer spectra for Fe-1 at 300 K indicates the presence of two quadrupole split asymmetric doublets due to the differences in local coordination geometries of [Fe + 3]A and [Fe + 2]B sites. The hyperfine interaction parameters are δ A = 0.152, (Δ E Q)A = 0.598 mm/s with overlapping doublet at δ B = 0.410 and (Δ E Q)B = 0.468 mm/s. Due to molecular association tendency of ligand, dimer Fe-2 possesses 100% Fe + 3(h.s.) hexacoordinated configuration with isomer shift δ = 0.408 mm/s. Slightly distorted octahedral symmetry created by NQCH3ox ligand surrounding Fe + 3(h.s.) state generates small field gradient indicated by quadrupole split Δ E Q = 0.213 mm/s. Decrease of isomer shifts together with variation of quadrupole splits with temperature in Fe-1 dimer compared to Fe-2 is result of charge transfers in [Fe2 + 2, + 3 SQ] complexes. EPR spectrum of Fe-1 shows two strong signals at g 1 = 4.17 and g 2 = 2.01 indicative of S = 3/2 spin state with an intermediate spin of Fe + 3(h.s.) configuration. SQUID data of χ _m^{corr} .T were best fitted by using HDVV spin pair model S = 2, 3/2 resulting in antiferromagnetic exchange ( J = -13.5 cm - 1 with an agreement factor of R = 1.89 × 10 - 5). The lower J value of antiferromagnetic exchange leads to Fe+3μ-(OH) Fe + 2 bridging in Fe-1 dimer instead of μ-oxo bridge. The intermolecular association through H-bonds may lead to weakly coupled antiferromagnetic interaction between two Fe-2 molecules having Fe + 3(h.s.) centers. Using S = 5/2, 5/2 spin pair model we obtained best-fitted parameters such as J = -12.4 cm - 1, g = 2.3 with R = 3.58 × 10 - 5. Synthetic strategy results in non-equivalent iron sites in Fe-1 dimer analogues to PAP enzyme hence its reconstitution results in pUC-19 DNA cleavage activity, as physiological functionality of APase. It is compared with nuclease activity of Fe-2 RAPase.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19950007473','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19950007473"><span>Nondestructive analysis and development</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Moslehy, Faissal A.</p> <p>1993-01-01</p> <p>This final report summarizes the achievements of project #4 of the NASA/UCF Cooperative Agreement from January 1990 to December 1992. The objectives of this project are to review NASA's NDE program at Kennedy Space Center (KSC) and recommend means for enhancing the present testing capabilities through the use of improved or new technologies. During the period of the project, extensive development of a reliable nondestructive, non-contact vibration technique to determine and quantify the bond condition of the thermal protection system (TPS) tiles of the Space Shuttle Orbiter was undertaken. Experimental modal analysis (EMA) is used as a non-destructive technique for the evaluation of Space Shuttle thermal protection system (TPS) tile bond integrity. Finite element (FE) models for tile systems were developed and were used to generate their vibration characteristics (i.e. natural frequencies and mode shapes). Various TPS tile assembly configurations as well as different bond conditions were analyzed. Results of finite element analyses demonstrated a drop in natural frequencies and a change in mode shapes which correlate with both size and location of disbond. Results of experimental testing of tile panels correlated with FE results and demonstrated the feasibility of EMA as a viable technique for tile bond verification. Finally, testing performed on the Space Shuttle Columbia using a laser doppler velocimeter demonstrated the application of EMA, when combined with FE modeling, as a non-contact, non-destructive bond evaluation technique.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017A%26A...600A..22M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017A%26A...600A..22M"><span>The AMBRE project: Iron-peak elements in the solar neighbourhood</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mikolaitis, Š.; de Laverny, P.; Recio-Blanco, A.; Hill, V.; Worley, C. C.; de Pascale, M.</p> <p>2017-04-01</p> <p>Context. The pattern of chemical abundance ratios in stellar populations of the Milky Way is a fingerprint of the Galactic chemical history. In order to interpret such chemical fossils of Galactic archaeology, chemical evolution models have to be developed. However, despite the complex physics included in the most recent models, significant discrepancies between models and observations are widely encountered. Aims: The aim of this paper is to characterise the abundance patterns of five iron-peak elements (Mn, Fe, Ni, Cu, and Zn) for which the stellar origin and chemical evolution are still debated. Methods: We automatically derived iron peak (Mn, Fe, Ni, Cu, and Zn) and α element (Mg) chemical abundances for 4666 stars, adopting classical LTE spectral synthesis and 1D atmospheric models. Our observational data collection is composed of high-resolution, high signal-to-noise ratios HARPS and FEROS spectra, which were previously parametrised by the AMBRE project. Results: We used the bimodal distribution of the magnesium-to-iron abundance ratios to chemically classify our sample stars into different Galactic substructures: thin disc, metal-poor and high-α metal rich, high-α, and low-α metal-poor populations. Both high-α and low-α metal-poor populations are fully distinct in Mg, Cu, and Zn, but these substructures are statistically indistinguishable in Mn and Ni. Thin disc trends of [Ni/Fe] and [Cu/Fe] are very similar and show a small increase at supersolar metallicities. Also, both thin and thick disc trends of Ni and Cu are very similar and indistinguishable. Yet, Mn looks very different from Ni and Cu. [Mn/Fe] trends of thin and thick discs actually have noticeable differences: the thin disc is slightly Mn richer than the thick disc. The [Zn/Fe] trends look very similar to those of [α/Fe] trends. The typical dispersion of results in both discs is low (≈0.05 dex for [Mg, Mn, and Cu/Fe]) and is even much lower for [Ni/Fe] (≈0.035 dex). Conclusions: It is clearly demonstrated that Zn is an α-like element and could be used to separate thin and thick disc stars. Moreover, we show that the [Mn/Mg] ratio could also be a very good tool for tagging Galactic substructures. From the comparison with Galactic chemical evolutionary models, we conclude that some recent models can partially reproduce the observed Mg, Zn, and, Cu behaviours in thin and thick discs and metal-poor sequences. Models mostly fail to reproduce Mn and Ni in all metallicity domains, however, models adopting yields normalised from solar chemical properties reproduce Mn and Ni better, suggesting that there is still a lack of realistic theoretical yields of some iron-peak elements. The very low scatter (≈0.05 dex) in thin and thick disc sequences could provide an observational constrain for Galactic evolutionary models that study the efficiency of stellar radial migration. Based on observations collected at ESO telescopes under the AMBRE programme. Full Table 5 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/600/A22</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApJ...855...25T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApJ...855...25T"><span>New Constraints on the Geometry and Kinematics of Matter Surrounding the Accretion Flow in X-Ray Binaries from Chandra High-energy Transmission Grating X-Ray Spectroscopy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tzanavaris, P.; Yaqoob, T.</p> <p>2018-03-01</p> <p>The narrow, neutral Fe Kα fluorescence emission line in X-ray binaries (XRBs) is a powerful probe of the geometry, kinematics, and Fe abundance of matter around the accretion flow. In a recent study it has been claimed, using Chandra High-Energy Transmission Grating (HETG) spectra for a sample of XRBs, that the circumnuclear material is consistent with a solar-abundance, uniform, spherical distribution. It was also claimed that the Fe Kα line was unresolved in all cases by the HETG. However, these conclusions were based on ad hoc models that did not attempt to relate the global column density to the Fe Kα line emission. We revisit the sample and test a self-consistent model of a uniform, spherical X-ray reprocessor against HETG spectra from 56 observations of 14 Galactic XRBs. We find that the model is ruled out in 13/14 sources because a variable Fe abundance is required. In two sources a spherical distribution is viable, but with nonsolar Fe abundance. We also applied a solar-abundance Compton-thick reflection model, which can account for the spectra that are inconsistent with a spherical model, but spectra with a broader bandpass are required to better constrain model parameters. We also robustly measured the velocity width of the Fe Kα line and found FWHM values of up to ∼5000 km s‑1. Only in some spectra was the Fe Kα line unresolved by the HETG.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011JMEP...20..894L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011JMEP...20..894L"><span>Modeling and FE Simulation of Quenchable High Strength Steels Sheet Metal Hot Forming Process</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Liu, Hongsheng; Bao, Jun; Xing, Zhongwen; Zhang, Dejin; Song, Baoyu; Lei, Chengxi</p> <p>2011-08-01</p> <p>High strength steel (HSS) sheet metal hot forming process is investigated by means of numerical simulations. With regard to a reliable numerical process design, the knowledge of the thermal and thermo-mechanical properties is essential. In this article, tensile tests are performed to examine the flow stress of the material HSS 22MnB5 at different strains, strain rates, and temperatures. Constitutive model based on phenomenological approach is developed to describe the thermo-mechanical properties of the material 22MnB5 by fitting the experimental data. A 2D coupled thermo-mechanical finite element (FE) model is developed to simulate the HSS sheet metal hot forming process for U-channel part. The ABAQUS/explicit model is used conduct the hot forming stage simulations, and ABAQUS/implicit model is used for accurately predicting the springback which happens at the end of hot forming stage. Material modeling and FE numerical simulations are carried out to investigate the effect of the processing parameters on the hot forming process. The processing parameters have significant influence on the microstructure of U-channel part. The springback after hot forming stage is the main factor impairing the shape precision of hot-formed part. The mechanism of springback is advanced and verified through numerical simulations and tensile loading-unloading tests. Creep strain is found in the tensile loading-unloading test under isothermal condition and has a distinct effect on springback. According to the numerical and experimental results, it can be concluded that springback is mainly caused by different cooling rats and the nonhomogengeous shrink of material during hot forming process, the creep strain is the main factor influencing the amount of the springback.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li class="active"><span>23</span></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_23 --> <div id="page_24" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li class="active"><span>24</span></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="461"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MRE.....4k6518B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MRE.....4k6518B"><span>Mechanical properties of Fe rich Fe-Si alloys: ab initio local bulk-modulus viewpoint</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bhattacharya, Somesh Kr; Kohyama, Masanori; Tanaka, Shingo; Shiihara, Yoshinori; Saengdeejing, Arkapol; Chen, Ying; Mohri, Tetsuo</p> <p>2017-11-01</p> <p>Fe-rich Fe-Si alloys show peculiar bulk-modulus changes depending on the Si concentration in the range of 0-15 at.%Si. In order to clarify the origin of this phenomenon, we have performed density-functional theory calculations of supercells of Fe-Si alloy models with various Si concentrations. We have applied our recent techniques of ab initio local energy and local stress, by which we can obtain a local bulk modulus of each atom or atomic group as a local constituent of the cell-averaged bulk modulus. A2-phase alloy models are constructed by introducing Si substitution into bcc Fe as uniformly as possible so as to prevent mutual neighboring, while higher Si concentrations over 6.25 at.%Si lead to contacts between SiFe8 cubic clusters via sharing corner Fe atoms. For 12.5 at.%Si, in addition to an A2 model, we deal with partial D03 models containing local D03-like layers consisting of edge-shared SiFe8 cubic clusters. For the cell-averaged bulk modulus, we have successfully reproduced the Si-concentration dependence as a monotonic decrease until 11.11 at.%Si and a recovery at 12.5 at.%Si. The analysis of local bulk moduli of SiFe8 cubic clusters and Fe regions is effective to understand the variations of the cell-averaged bulk modulus. The local bulk moduli of Fe regions become lower for increasing Si concentration, due to the suppression of bulk-like d-d bonding states in narrow Fe regions. For higher Si concentrations till 11.11 at.%Si, corner-shared contacts or 1D chains of SiFe8 clusters lead to remarkable reduction of local bulk moduli of the clusters. At 12 at.%Si, on the other hand, two- or three-dimensional arrangements of corner- or edge-shared SiFe8 cubic clusters show greatly enhanced local bulk moduli, due to quite different bonding nature with much stronger p-d hybridization. The relation among the local bulk moduli, local electronic and magnetic structures, and local configurations such as connectivity of SiFe8 clusters and Fe-region sizes has been analyzed. The ab initio local stress has opened the way for obtaining accurate local elastic properties reflecting local valence-electron behaviors.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://pubs.er.usgs.gov/publication/70176665','USGSPUBS'); return false;" href="https://pubs.er.usgs.gov/publication/70176665"><span>Filamentous hydrous ferric oxide biosignatures in a pipeline carrying acid mine drainage at Iron Mountain Mine, California</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://pubs.er.usgs.gov/pubs/index.jsp?view=adv">USGS Publications Warehouse</a></p> <p>Williams, Amy J.; Alpers, Charles N.; Sumner, Dawn Y.; Campbell, Kate M.</p> <p>2017-01-01</p> <p>A pipeline carrying acidic mine effluent at Iron Mountain, CA, developed Fe(III)-rich precipitate caused by oxidation of Fe(II)aq. The native microbial community in the pipe included filamentous microbes. The pipe scale consisted of microbial filaments, and schwertmannite (ferric oxyhydroxysulfate, FOHS) mineral spheres and filaments. FOHS filaments contained central lumina with diameters similar to those of microbial filaments. FOHS filament geometry, the geochemical environment, and the presence of filamentous microbes suggest that FOHS filaments are mineralized microbial filaments. This formation of textural biosignatures provides the basis for a conceptual model for the development and preservation of biosignatures in other environments.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AIPC.1949h0002Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AIPC.1949h0002Z"><span>Methodologies for validating ray-based forward model using finite element method in ultrasonic array data simulation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhang, Jie; Nixon, Andrew; Barber, Tom; Budyn, Nicolas; Bevan, Rhodri; Croxford, Anthony; Wilcox, Paul</p> <p>2018-04-01</p> <p>In this paper, a methodology of using finite element (FE) model to validate a ray-based model in the simulation of full matrix capture (FMC) ultrasonic array data set is proposed. The overall aim is to separate signal contributions from different interactions in FE results for easier comparing each individual component in the ray-based model results. This is achieved by combining the results from multiple FE models of the system of interest that include progressively more geometrical features while preserving the same mesh structure. It is shown that the proposed techniques allow the interactions from a large number of different ray-paths to be isolated in FE results and compared directly to the results from a ray-based forward model.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1358525-low-activation-joining-sic-sic-composites-fusion-applications-thermomechanical-modeling-dual-phase-microstructures-dissimilar-material-joints','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1358525-low-activation-joining-sic-sic-composites-fusion-applications-thermomechanical-modeling-dual-phase-microstructures-dissimilar-material-joints"><span>Low Activation Joining of SiC/SiC Composites for Fusion Applications: Thermomechanical Modeling of Dual-Phase Microstructures and Dissimilar Material Joints</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Nguyen, Ba Nghiep; Henager, Charles H.; Kurtz, Richard J.</p> <p>2016-09-30</p> <p>Finite element (FE) continuum damage mechanics (CDM) models have been developed to simulate and model dual-phase joints and cracked joints for improved analysis of SiC materials in nuclear environments. This report extends the analysis from the last reporting cycle by including preliminary thermomechanical analyses of cracked joints and implementation of dual-phase damage models.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27564130','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27564130"><span>Cost-effectiveness and Budget Impact of Routine Use of Fractional Exhaled Nitric Oxide Monitoring for the Management of Adult Asthma Patients in Spain.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sabatelli, L; Seppälä, U; Sastre, J; Crater, G</p> <p></p> <p>Fractional exhaled nitric oxide (FeNO) is a marker for type 2 airway inflammation. The objective of this study was to evaluate the cost-effectiveness and budget impact of FeNO monitoring for management of adult asthma in Spain. A cost-effectiveness analysis model was used to evaluate the effect on costs of adding FeNO monitoring to asthma management. Over a 1-year period, the model estimated the incremental cost per quality-adjusted life year and incremental number of exacerbations avoided when FeNO monitoring was added to standard guideline-driven asthma care compared with standard care alone. Univariate and multivariate sensitivity analyses were applied to explore uncertainty in the model. A budget impact model was used to examine the impact of FeNO monitoring on primary care costs across the Spanish health system. The results showed that adding FeNO to standard asthma care saved €62.53 per patient-year in the adult population and improved quality-adjusted life years by 0.026 per patient-year. The budget impact analysis revealed a potential net yearly saving of €129 million if FeNO monitoring had been used in primary care settings in Spain. The present economic model shows that adding FeNO to the treatment algorithm can considerably reduce costs and improve quality of life when used to manage asthma in combination with current treatment guidelines.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24402840','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24402840"><span>Synthesis and reactivity of mononuclear iron models of [Fe]-hydrogenase that contain an acylmethylpyridinol ligand.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hu, Bowen; Chen, Dafa; Hu, Xile</p> <p>2014-02-03</p> <p>[Fe]-hydrogenase has a single iron-containing active site that features an acylmethylpyridinol ligand. This unique ligand environment had yet to be reproduced in synthetic models; however the synthesis and reactivity of a new class of small molecule mimics of [Fe]-hydrogenase in which a mono-iron center is ligated by an acylmethylpyridinol ligand has now been achieved. Key to the preparation of these model compounds is the successful C-O cleavage of an alkyl ether moiety to form the desired pyridinol ligand. Reaction of solvated complex [(2-CH2CO-6-HOC5H3N)Fe(CO)2(CH3CN)2](+)(BF4)(-) with thiols or thiophenols in the presence of NEt3 yielded 5-coordinate iron thiolate complexes. Further derivation produced complexes [(2-CH2CO-6-HOC5H3N)Fe(CO)2(SCH2CH2OH)] and [(2-CH2CO-6-HOC5H3N)Fe(CO)2(CH3COO)], which can be regarded as models of FeGP cofactors of [Fe]-hydrogenase extracted by 2-mercaptoethanol and acetic acid, respectively. When the derivative complexes were treated with HBF4 ⋅Et2O, the solvated complex was regenerated by protonation of the thiolate ligands. The reactivity of several models with CO, isocyanide, cyanide, and H2 was also investigated. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.ars.usda.gov/research/publications/publication/?seqNo115=294628','TEKTRAN'); return false;" href="http://www.ars.usda.gov/research/publications/publication/?seqNo115=294628"><span>Seed coat removal improves Fe bioavailability in cooked lentils: studies using an in vitro digestion/Caco-2 cell culture model</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ars.usda.gov/research/publications/find-a-publication/">USDA-ARS?s Scientific Manuscript database</a></p> <p></p> <p></p> <p>This study examined the range of Fe concentration and relative Fe bioavailability of 24 varieties of cooked lentils, as well as the impact of seed coat removal on lentil Fe nutritional quality. Relative Fe bioavailability was assessed by the in vitro/Caco-2 cell culture method. While Fe concentrat...</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016AGUFMSA53C..05P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016AGUFMSA53C..05P"><span>Using Meteoric Ablation to Constrain Vertical Transport in the Upper Mesosphere</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Plane, J. M. C.; Carrillo-Sánchez, J. D.; Nesvorny, D.; Pokorný, P.; Janches, D.</p> <p>2016-12-01</p> <p>Meteoric ablation injects a variety of metals into the upper mesosphere and lower thermosphere, giving rise to layers of metal atoms centered around 90 km. The Na, Fe, K and Ca atom densities are measured accurately using resonance lidars. Since the reaction kinetics of many of the chemical reactions which produce these layers have now been studied in the laboratory, chemistry modules for each of the metals have been developed with a reasonable degree of confidence. When these modules are put into a global high-top model such as NCAR's Whole Atmosphere Community Climate Model (WACCM), a major problem emerges: the injection flux of each of the metals, termed the Meteoric Input Function (MIF), has to be reduced substantially in order to model the observed metal atom densities. For instance, the Na and Fe MIFs need to be reduced by factors of 8 and 14, respectively, compared with the MIFs determined from the lidar-measured vertical fluxes of Na and Fe atoms. The accumulation of meteoric smoke particles in polar ice cores also indicates that the meteoric ablation flux is significantly larger that can be handled in models where vertical transport is solely due to eddy diffusional mixing. Here we derive new Na and Fe MIFs by determining the relative contributions of the known dust sources in the near-Earth environment: Jupiter Family Comets (JFCs), the main asteroid belt, Halley Type comets, and Oort Cloud comets. The mass/velocity/radiant distributions of these cosmic dust populations are Monte Carlo sampled and the elemental ablation rates calculated with the Leeds Chemical Ablation Model. The contribution of each dust source in the Earth's atmosphere is then determined by fitting the measured cosmic spherule accretion rate at the South Pole, and the measured vertical Na and Fe fluxes above 86 km. We conclude that JFCs contribute either 85% or 93% to the total incoming mass, depending on whether infra-red observations of the Zodiacal Dust Cloud by the IRAS or Planck satellites, respectively, are used. The global ablated meteoric mass is then 6 tonnes per day, of which 0.2 tonnes is Na and 2.1 tonnes is Fe. We show that these large fluxes can be accommodated by including wave-driven chemical transport along with eddy diffusion in a 1-D model.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA093645','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA093645"><span>Development of a Tabletop Model for the Generation of Amorphous/ Microcrystalline Metal Powders</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>1980-04-30</p> <p>Voltage Characteristics for Wetting (si) and Non-wetting (AZ 4.5% Cu ) EHD Spray 2-57 28 Schematic of the Process of Electrohydrodynamic Droplet...Microscope Image of a Deposit , Fine Powders and "Matrix" Film of Fe-Ni-B-P Metallic Glass Alloy Produced by the EHD Technique 3-9 45 Selected Area...Transmission Electron Microscope Image of a Deposit , Fine Powders and "Matrix" Film of Fe-Ni-B-P Metallic Glass Alloy Produced by the EHD Technique 3-11 xi</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1334230-magnetism-superconductivity-spontaneous-orbital-order-iron-based-superconductors-which-comes-first-why','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1334230-magnetism-superconductivity-spontaneous-orbital-order-iron-based-superconductors-which-comes-first-why"><span>Magnetism, superconductivity, and spontaneous orbital order in iron-based superconductors: Which comes first and why?</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Chubukov, Andrey V.; Khodas, M.; Fernandes, Rafael M.</p> <p></p> <p>Magnetism and nematic order are the two nonsuperconducting orders observed in iron-based superconductors. To elucidate the interplay between them and ultimately unveil the pairing mechanism, several models have been investigated. In models with quenched orbital degrees of freedom, magnetic fluctuations promote stripe magnetism, which induces orbital order. In models with quenched spin degrees of freedom, charge fluctuations promote spontaneous orbital order, which induces stripe magnetism. Here, we develop an unbiased approach, in which we treat magnetic and orbital fluctuations on equal footing. Key to our approach is the inclusion of the orbital character of the low-energy electronic states into renormalizationmore » group (RG) analysis. We analyze the RG flow of the couplings and argue that the same magnetic fluctuations, which are known to promote s ± superconductivity, also promote an attraction in the orbital channel, even if the bare orbital interaction is repulsive. We next analyze the RG flow of the susceptibilities and show that, if all Fermi pockets are small, the system first develops a spontaneous orbital order, then s ± superconductivity, and magnetic order does not develop down to T=0. We argue that this scenario applies to FeSe. In systems with larger pockets, such as BaFe 2As 2 and LaFeAsO, we find that the leading instability is either towards a spin-density wave or superconductivity. We argue that in this situation nematic order is caused by composite spin fluctuations and is vestigial to stripe magnetism. Finally, our results provide a unifying description of different iron-based materials.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1334230-magnetism-superconductivity-spontaneous-orbital-order-iron-based-superconductors-which-comes-first-why','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1334230-magnetism-superconductivity-spontaneous-orbital-order-iron-based-superconductors-which-comes-first-why"><span>Magnetism, superconductivity, and spontaneous orbital order in iron-based superconductors: Which comes first and why?</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Chubukov, Andrey V.; Khodas, M.; Fernandes, Rafael M.</p> <p>2016-12-02</p> <p>Magnetism and nematic order are the two nonsuperconducting orders observed in iron-based superconductors. To elucidate the interplay between them and ultimately unveil the pairing mechanism, several models have been investigated. In models with quenched orbital degrees of freedom, magnetic fluctuations promote stripe magnetism, which induces orbital order. In models with quenched spin degrees of freedom, charge fluctuations promote spontaneous orbital order, which induces stripe magnetism. Here, we develop an unbiased approach, in which we treat magnetic and orbital fluctuations on equal footing. Key to our approach is the inclusion of the orbital character of the low-energy electronic states into renormalizationmore » group (RG) analysis. We analyze the RG flow of the couplings and argue that the same magnetic fluctuations, which are known to promote s ± superconductivity, also promote an attraction in the orbital channel, even if the bare orbital interaction is repulsive. We next analyze the RG flow of the susceptibilities and show that, if all Fermi pockets are small, the system first develops a spontaneous orbital order, then s ± superconductivity, and magnetic order does not develop down to T=0. We argue that this scenario applies to FeSe. In systems with larger pockets, such as BaFe 2As 2 and LaFeAsO, we find that the leading instability is either towards a spin-density wave or superconductivity. We argue that in this situation nematic order is caused by composite spin fluctuations and is vestigial to stripe magnetism. Finally, our results provide a unifying description of different iron-based materials.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012MSMSE..20a5010C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012MSMSE..20a5010C"><span>3D CAFE modeling of grain structures: application to primary dendritic and secondary eutectic solidification</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Carozzani, T.; Digonnet, H.; Gandin, Ch-A.</p> <p>2012-01-01</p> <p>A three-dimensional model is presented for the prediction of grain structures formed in casting. It is based on direct tracking of grain boundaries using a cellular automaton (CA) method. The model is fully coupled with a solution of the heat flow computed with a finite element (FE) method. Several unique capabilities are implemented including (i) the possibility to track the development of several types of grain structures, e.g. dendritic and eutectic grains, (ii) a coupling scheme that permits iterations between the FE method and the CA method, and (iii) tabulated enthalpy curves for the solid and liquid phases that offer the possibility to work with multicomponent alloys. The present CAFE model is also fully parallelized and runs on a cluster of computers. Demonstration is provided by direct comparison between simulated and recorded cooling curves for a directionally solidified aluminum-7 wt% silicon alloy.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21294008','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21294008"><span>Active muscle response using feedback control of a finite element human arm model.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Östh, Jonas; Brolin, Karin; Happee, Riender</p> <p>2012-01-01</p> <p>Mathematical human body models (HBMs) are important research tools that are used to study the human response in car crash situations. Development of automotive safety systems requires the implementation of active muscle response in HBM, as novel safety systems also interact with vehicle occupants in the pre-crash phase. In this study, active muscle response was implemented using feedback control of a nonlinear muscle model in the right upper extremity of a finite element (FE) HBM. Hill-type line muscle elements were added, and the active and passive properties were assessed. Volunteer tests with low impact loading resulting in elbow flexion motions were performed. Simulations of posture maintenance in a gravity field and the volunteer tests were successfully conducted. It was concluded that feedback control of a nonlinear musculoskeletal model can be used to obtain posture maintenance and human-like reflexive responses in an FE HBM.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015AIPC.1703f0011G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015AIPC.1703f0011G"><span>Modeling microstructure of incudostapedial joint and the effect on cochlear input</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gan, Rong Z.; Wang, Xuelin</p> <p>2015-12-01</p> <p>The incudostapedial joint (ISJ) connects the incus to stapes in human ear and plays an important role for sound transmission from the tympanic membrane (TM) to cochlea. ISJ is a synovial joint composed of articular cartilage on the lenticular process and stapes head with the synovial fluid between them. However, there is no study on how the synovial ISJ affects the middle ear and cochlear functions. Recently, we have developed a 3-dimensinal finite element (FE) model of synovial ISJ and connected the model to our comprehensive FE model of the human ear. The motions of TM, stapes footplate, and basilar membrane and the pressures in scala vestibule and scala tympani were derived over frequencies and compared with experimental measurements. Results show that the synovial ISJ affects sound transmission into cochlea and the frequency-dependent viscoelastic behavior of ISJ provides protection for cochlea from high intensity sound.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015Nanos...7.7734S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015Nanos...7.7734S"><span>Gas phase condensation of superparamagnetic iron oxide-silica nanoparticles - control of the intraparticle phase distribution</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Stötzel, C.; Kurland, H.-D.; Grabow, J.; Müller, F. A.</p> <p>2015-04-01</p> <p>Spherical, softly agglomerated and superparamagnetic nanoparticles (NPs) consisting of maghemite (γ-Fe2O3) and amorphous silica (SiO2) were prepared by CO2 laser co-vaporization (CoLAVA) of hematite powder (α-Fe2O3) and quartz sand (SiO2). The α-Fe2O3 portion of the homogeneous starting mixtures was gradually increased (15 mass%-95 mass%). It was found that (i) with increasing iron oxide content the NPs' morphology changes from a nanoscale SiO2 matrix with multiple γ-Fe2O3 inclusions to Janus NPs consisting of a γ-Fe2O3 and a SiO2 hemisphere to γ-Fe2O3 NPs each carrying one small SiO2 lens on its surface, (ii) the multiple γ-Fe2O3 inclusions accumulate at the NPs' inner surfaces, and (iii) all composite NPs are covered by a thin layer of amorphous SiO2. These morphological characteristics are attributed to (i) the phase segregation of iron oxide and silica within the condensed Fe2O3-SiO2 droplets, (ii) the temperature gradient within these droplets which arises during rapid cooling in the CoLAVA process, and (iii) the significantly lower surface energy of silica when compared to iron oxide. The proposed growth mechanism of these Fe2O3-SiO2 composite NPs during gas phase condensation can be transferred to other systems comprising a glass-network former and another component that is insoluble in the regarding glass. Thus, our model will facilitate the development of novel functional composite NPs for applications in biomedicine, optics, electronics, or catalysis.Spherical, softly agglomerated and superparamagnetic nanoparticles (NPs) consisting of maghemite (γ-Fe2O3) and amorphous silica (SiO2) were prepared by CO2 laser co-vaporization (CoLAVA) of hematite powder (α-Fe2O3) and quartz sand (SiO2). The α-Fe2O3 portion of the homogeneous starting mixtures was gradually increased (15 mass%-95 mass%). It was found that (i) with increasing iron oxide content the NPs' morphology changes from a nanoscale SiO2 matrix with multiple γ-Fe2O3 inclusions to Janus NPs consisting of a γ-Fe2O3 and a SiO2 hemisphere to γ-Fe2O3 NPs each carrying one small SiO2 lens on its surface, (ii) the multiple γ-Fe2O3 inclusions accumulate at the NPs' inner surfaces, and (iii) all composite NPs are covered by a thin layer of amorphous SiO2. These morphological characteristics are attributed to (i) the phase segregation of iron oxide and silica within the condensed Fe2O3-SiO2 droplets, (ii) the temperature gradient within these droplets which arises during rapid cooling in the CoLAVA process, and (iii) the significantly lower surface energy of silica when compared to iron oxide. The proposed growth mechanism of these Fe2O3-SiO2 composite NPs during gas phase condensation can be transferred to other systems comprising a glass-network former and another component that is insoluble in the regarding glass. Thus, our model will facilitate the development of novel functional composite NPs for applications in biomedicine, optics, electronics, or catalysis. Electronic supplementary information (ESI) available: Infrared absorption of the raw powders hematite and quartz (section S1), TEM investigation of the spatial distribution of the γ-Fe2O3 inclusions (section S2), particle size distributions of the Fe2O3@SiO2 nanopowder samples (section S3), ζ-potentials of aqueous dispersions of all γ-Fe2O3@SiO2 nanopowder samples (section S4), silanization of Fe2O3@SiO2 composite nanopowders with [3-(2,3-epoxypropoxy)-propyl]trimethoxysilane (section S5), and animation composed of TEM micrographs of Fe2O3@SiO2 NPs recorded at incrementally altered tilt angles (``Rotating Fe2O3@SiO2 NP.avi''). See DOI: 10.1039/c5nr00845j</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28819905','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28819905"><span>Adsorption properties of kaolinite-based nanocomposites for Fe and Mn pollutants from aqueous solutions and raw ground water: kinetics and equilibrium studies.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Shaban, Mohamed; Hassouna, Mohamed E M; Nasief, Fadya M; AbuKhadra, Mostafa R</p> <p>2017-10-01</p> <p>Raw kaolinite was used in the synthesis of metakaolinite/carbon nanotubes (K/CNTs) and kaolinite/starch (K/starch) nanocomposites. Raw kaolinite and the synthetic composites were characterized using XRD, SEM, and TEM techniques. The synthetic composites were used as adsorbents for Fe and Mn ions from aqueous solutions and natural underground water. The adsorption by the both composites is highly pH dependent and achieves high efficiency within the neutral pH range. The experimental adsorption data for the uptake of Fe and Mn ions by K/CNTs were found to be well represented by the pseudo-second-order kinetic model rather than the intra-particle diffusion model or Elovich model. For the adsorption using K/starch, the uptake results of Fe ions was well fitted by the second-order model, whereas the uptake of Mn ions fitted well to the Elovich model rather than pseudo-second-order and intra-particle diffusion models The equilibrium studies revealed the excellent fitting of the removal of Fe and Mn ions by K/CNTs and Fe using K/starch with the Langmuir isotherm model rather than with Freundlich and Temkin models. But the adsorption of Mn ions by K/starch is well fitted with Freundlich rather than Temkin and Langmuir isotherm models. The thermodynamic studies reflected the endothermic nature and the exothermic nature for the adsorption by K/CNTs and K/starch nanocomposites, respectively. Natural ground water contaminated by 0.4 mg/L Fe and 0.5 mg/L Mn was treated at the optimum conditions of pH 6 and 120 min contact time. Under these conditions, 92.5 and 72.5% Fe removal efficiencies were achieved using 20 mg of K/CNTs and K/starch nanocomposites, respectively. Also, K/CNTs nanocomposite shows higher efficiency in the removal of Mn ions as compared to K/starch nanocomposite.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008A%26A...477..543G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008A%26A...477..543G"><span>Physical conditions in CaFe interstellar clouds</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gnaciński, P.; Krogulec, M.</p> <p>2008-01-01</p> <p>Interstellar clouds that exhibit strong Ca I and Fe I lines are called CaFe clouds. Ionisation equilibrium equations were used to model the column densities of Ca II, Ca I, K I, Na I, Fe I and Ti II in CaFe clouds. We find that the chemical composition of CaFe clouds is solar and that there is no depletion into dust grains. CaFe clouds have high electron densities, n_e≈1 cm-3, that lead to high column densities of neutral Ca and Fe.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015PhDT.......142D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015PhDT.......142D"><span>Nonlinear Modeling and Characterization of the Villari Effect and Model-guided Development of Magnetostrictive Energy Harvesters and Dampers</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Deng, Zhangxian</p> <p></p> <p>The Villari effect, through which mechanical energy is transferred to magnetic energy in magnetostrictive materials can be utilized in energy harvester and damper designs. Significant research has been conducted on two magnetostrictive materials, Terfenol-D (TbxDy1-xFe2.0, x ≈ 0.3) and Galfenol (Fe1-xGax, 0.15 ≤ x ≤ 0.3), due to their high magnetomechanical coupling. Both materials have strengths and weaknesses. Terfenol-D exhibits low eddy current loss, but it is brittle and difficult to machine. Terfenol-D also provides higher magnetostriction while requiring a large magnetic field. On the other hand, Galfenol is mechanically robust, and thus can be machined, welded, and formed into complex geometries. However, due to its severe eddy current effect, lamination is necessary in high frequency applications. This work first characterized the Villari effect of Galfenol in terms of the piezo-magnetic constant d33* and hysteresis loss. The stress-flux density loops of oriented, polycrystalline Fe18.4Ga81.6 Galfenol were measured at quasi-static and dynamic regimes (up to 800 Hz). Advanced modeling tools are necessary for magnetostrictive device development. On the material level, this work proposed a dynamic, discrete energy-averaged (DEA) model incorporating time-dependent volume fractions into the static DEA framework. This dynamic DEA model took eddy current loss, mechanical loss, and pinning site loss into account and accurately simulated the measured Villari effect up to 600 Hz. On the system level, this work integrated a hysteresis static DEA model with a 3D finite element (FE) framework, and accurately modeled stress-flux density minor loops in a quasi-static state. Based on the assumption that the magnetostriction and magnetization are uniaxial, this work also proposed an efficient 2D FE framework describing nonlinear magnetostrictive responses via interpolation functions. This enhanced knowledge of the Villari effect facilitates magnetostrictive vibration energy harvester designs. A Galfenol unimorph, bonding passive stainless steel on a Galfenol beam, was investigated. The performance of the proposed unimorph harvesters, subjected to impulsive and periodic excitations, was evaluated for different types of electrical loads. The maximum average output power density P¯ and the maximum energy conversion efficiency were 24.4 mW/cm3 and 5.9%, respectively. The fully coupled 2D FE model, incorporating magnetic, mechanical, and electrical dynamics, was validated using impulsive responses. A simplified and more efficient FE approach, which decoupled the electrical dynamics from the magnetostrictive coupling and utilized a two-step procedure to eliminate transient responses, was also presented, as was a comprehensive parametric study targeting coil size, magnet location, magnet strength, thickness ratio, and tip mass. The maximum P&barbelow;P¯ was improved by 15.2% via optimization. Energy harvester's bandwidth is another essential parameter that often needs to be optimized. This work conducted preliminary experiments on a nonlinear buckled unimorph beam, and achieved a 300% bandwidth improvement. Besides its applications in energy harvesting, the Villari effect dissipates mechanical energy and thus can be implemented in dampers. This work conceptually proposed possible magnetostrictive dampers to attenuate noise in gearboxes. The loss factors eta of Terfenol-D and Galfenol damping units were first compared numerically in COMSOL Multiphysics. Based on the finite element results, the damping effect of Terfenol-D was then quantified experimentally. The maximum eta at 750 Hz was 0.2136 and 0.3679 for purely resistive and capacitive loads, respectively.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20090038575','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20090038575"><span>A Mathematical Model of a Simple Amplifier Using a Ferroelectric Transistor</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Sayyah, Rana; Hunt, Mitchell; MacLeod, Todd C.; Ho, Fat D.</p> <p>2009-01-01</p> <p>This paper presents a mathematical model characterizing the behavior of a simple amplifier using a FeFET. The model is based on empirical data and incorporates several variables that affect the output, including frequency, load resistance, and gate-to-source voltage. Since the amplifier is the basis of many circuit configurations, a mathematical model that describes the behavior of a FeFET-based amplifier will help in the integration of FeFETs into many other circuits.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://cfpub.epa.gov/si/si_public_record_report.cfm?dirEntryId=155005&Lab=NERL&keyword=dependency&actType=&TIMSType=+&TIMSSubTypeID=&DEID=&epaNumber=&ntisID=&archiveStatus=Both&ombCat=Any&dateBeginCreated=&dateEndCreated=&dateBeginPublishedPresented=&dateEndPublishedPresented=&dateBeginUpdated=&dateEndUpdated=&dateBeginCompleted=&dateEndCompleted=&personID=&role=Any&journalID=&publisherID=&sortBy=revisionDate&count=50','EPA-EIMS'); return false;" href="https://cfpub.epa.gov/si/si_public_record_report.cfm?dirEntryId=155005&Lab=NERL&keyword=dependency&actType=&TIMSType=+&TIMSSubTypeID=&DEID=&epaNumber=&ntisID=&archiveStatus=Both&ombCat=Any&dateBeginCreated=&dateEndCreated=&dateBeginPublishedPresented=&dateEndPublishedPresented=&dateBeginUpdated=&dateEndUpdated=&dateBeginCompleted=&dateEndCompleted=&personID=&role=Any&journalID=&publisherID=&sortBy=revisionDate&count=50"><span>QSAR STUDY OF THE REDUCTION OF NITROAROMATICS BY FE (II) SPECIES</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://oaspub.epa.gov/eims/query.page">EPA Science Inventory</a></p> <p></p> <p></p> <p>The development of predictive models for the reductive transformation of nitroaromatics requires further clarification of the effect of environmentally relevant variables on reaction kinetics and the identification of readily available molecular descriptors for calculating reacti...</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li class="active"><span>24</span></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_24 --> <div id="page_25" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li class="active"><span>25</span></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="481"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://rosap.ntl.bts.gov/view/dot/32906','DOTNTL'); return false;" href="https://rosap.ntl.bts.gov/view/dot/32906"><span>Improved analysis tool for concrete pavement : [project summary].</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntlsearch.bts.gov/tris/index.do">DOT National Transportation Integrated Search</a></p> <p></p> <p>2017-10-01</p> <p>University of Florida researchers developed 3D-FE models to more accurately predict the behavior of concrete slabs. They also followed up on a project to characterize strain gauge performance for a Florida Department of Transportation (FDOT) concrete...</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22584088-heat-capacity-magnetic-properties-fluoride-csfe-sup-fe-sup-sub-defect-pyrochlore-structure','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22584088-heat-capacity-magnetic-properties-fluoride-csfe-sup-fe-sup-sub-defect-pyrochlore-structure"><span>Heat capacity and magnetic properties of fluoride CsFe{sup 2+}Fe{sup 3+}F{sub 6} with defect pyrochlore structure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Gorev, M.V., E-mail: gorev@iph.krasn.ru; Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk; Flerov, I.N.</p> <p>2016-05-15</p> <p>Heat capacity, Mössbauer and Raman spectra as well as magnetic properties of fluoride CsFe{sub 2}F{sub 6} with defect pyrochlore structure were studied. In addition to recently found above room temperature three successive structural transformations Pnma-Imma-I4{sub 1}amd-Fd-3m, phase transition of antiferromagnetic nature with the 13.7 K Neel temperature and a broad heat capacity anomaly with a maximum at about 30 K were observed. The room temperature symmetry Pnma is unchanged at least down to 7 K. Simple model of indirect bond used to estimate the exchange interactions and to propose a magnetic structure model. - Graphical abstract: The ordered arrangement ofmore » Fe{sup 2+} and Fe{sup 3+} ions in high-spin states as well as antiferromagnetic phase transition followed by significant magnetic frustrations were found in pyrocholore-related CsFe{sup 2+}Fe{sup 3+}F{sub 6}. A magnetic structure was proposed using a simple model of indirect bonds. - Highlights: • The Pnma structure in pyrocholore CsFe{sub 2}F{sub 6} is stable down to helium temperature. • Mössbauer spectra confirmed the ordering of Fe{sup 2+} and Fe{sup 3+} ions. • Antiferromagnetic transformation and significant magnetic frustrations are found. • Experimental magnetic entropy agrees with entropy for Fe ions in high-spin state. • Superexchange interactions were calculated and a magnetic structure was proposed.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=1144524','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=1144524"><span>The mechanism of Klebsiella pneumoniae nitrogenase action. Pre-steady-state kinetics of H2 formation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Lowe, D J; Thorneley, R N</p> <p>1984-01-01</p> <p>A comprehensive model for the mechanism of nitrogenase action is used to simulate pre-steady-state kinetic data for H2 evolution in the presence and in the absence of N2, obtained by using a rapid-quench technique with nitrogenase from Klebsiella pneumoniae. These simulations use independently determined rate constants that define the model in terms of the following partial reactions: component protein association and dissociation, electron transfer from Fe protein to MoFe protein coupled to the hydrolysis of MgATP, reduction of oxidized Fe protein by Na2S2O4, reversible N2 binding by H2 displacement and H2 evolution. Two rate-limiting dissociations of oxidized Fe protein from reduced MoFe protein precede H2 evolution, which occurs from the free MoFe protein. Thus Fe protein suppresses H2 evolution by binding to the MoFe protein. This is a necessary condition for efficient N2 binding to reduced MoFe protein. PMID:6395861</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29252005','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29252005"><span>A finite element model of myocardial infarction using a composite material approach.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Haddad, Seyyed M H; Samani, Abbas</p> <p>2018-01-01</p> <p>Computational models are effective tools to study cardiac mechanics under normal and pathological conditions. They can be used to gain insight into the physiology of the heart under these conditions while they are adaptable to computer assisted patient-specific clinical diagnosis and therapeutic procedures. Realistic cardiac mechanics models incorporate tissue active/passive response in conjunction with hyperelasticity and anisotropy. Conventional formulation of such models leads to mathematically-complex problems usually solved by custom-developed non-linear finite element (FE) codes. With a few exceptions, such codes are not available to the research community. This article describes a computational cardiac mechanics model developed such that it can be implemented using off-the-shelf FE solvers while tissue pathologies can be introduced in the model in a straight-forward manner. The model takes into account myocardial hyperelasticity, anisotropy, and active contraction forces. It follows a composite tissue modeling approach where the cardiac tissue is decomposed into two major parts: background and myofibers. The latter is modelled as rebars under initial stresses mimicking the contraction forces. The model was applied in silico to study the mechanics of infarcted left ventricle (LV) of a canine. End-systolic strain components, ejection fraction, and stress distribution attained using this LV model were compared quantitatively and qualitatively to corresponding data obtained from measurements as well as to other corresponding LV mechanics models. This comparison showed very good agreement.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24875322','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24875322"><span>Fast removal of malachite green dye using novel superparamagnetic sodium alginate-coated Fe3O4 nanoparticles.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Mohammadi, Abbas; Daemi, Hamed; Barikani, Mehdi</p> <p>2014-08-01</p> <p>In this study, superparamagnetic sodium alginate-coated Fe3O4 nanoparticles (Alg-Fe3O4) as a novel magnetic adsorbent were prepared by in situ coprecipitation method, in which Fe3O4 nanoparticles were precipitated from FeCl3 and FeCl2 under alkaline medium in the presence of sodium alginate. The Alg-Fe3O4 nanoparticles were used for removal of malachite green (MG) from aqueous solutions using batch adsorption technique. The characterization of synthesized nanoparticles was performed using XRD, FTIR, TEM, TGA and vibrating sample magnetometer (VSM) techniques. FTIR analysis of synthesized nanoparticles provided the evidence that sodium alginate was successfully coated on the surface of Fe3O4 nanoparticles. The FT-IR and TGA characterization showed that the Alg-Fe3O4 nanoparticles contained about 14% (w/w) of sodium alginate. Moreover, TEM analysis indicated that the average diameter of the Alg-Fe3O4 nanoparticles was about 12nm. The effects of adsorbent dosage, pH and temperature were investigated on the adsorption properties of MG onto Alg-Fe3O4 nanoparticles. The equilibrium adsorption data were modeled using the Langmuir and Freundlich isotherms. The maximum adsorption capacity obtained from Langmuir isotherm equation was 47.84mg/g. The kinetics of adsorption of MG onto Alg-Fe3O4 nanoparticles were investigated using the pseudo-first-order and pseudo-second-order kinetic models. The results showed that the adsorption of MG onto nanoparticles followed pseudo-second-order kinetic model. Copyright © 2014 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5482553','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5482553"><span>High particulate iron(II) content in glacially sourced dusts enhances productivity of a model diatom</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Shoenfelt, Elizabeth M.; Sun, Jing; Winckler, Gisela; Kaplan, Michael R.; Borunda, Alejandra L.; Farrell, Kayla R.; Moreno, Patricio I.; Gaiero, Diego M.; Recasens, Cristina; Sambrotto, Raymond N.; Bostick, Benjamin C.</p> <p>2017-01-01</p> <p>Little is known about the bioavailability of iron (Fe) in natural dusts and the impact of dust mineralogy on Fe utilization by photosynthetic organisms. Variation in the supply of bioavailable Fe to the ocean has the potential to influence the global carbon cycle by modulating primary production in the Southern Ocean. Much of the dust deposited across the Southern Ocean is sourced from South America, particularly Patagonia, where the waxing and waning of past and present glaciers generate fresh glaciogenic material that contrasts with aged and chemically weathered nonglaciogenic sediments. We show that these two potential sources of modern-day dust are mineralogically distinct, where glaciogenic dust sources contain mostly Fe(II)-rich primary silicate minerals, and nearby nonglaciogenic dust sources contain mostly Fe(III)-rich oxyhydroxide and Fe(III) silicate weathering products. In laboratory culture experiments, Phaeodactylum tricornutum, a well-studied coastal model diatom, grows more rapidly, and with higher photosynthetic efficiency, with input of glaciogenic particulates compared to that of nonglaciogenic particulates due to these differences in Fe mineralogy. Monod nutrient accessibility models fit to our data suggest that particulate Fe(II) content, rather than abiotic solubility, controls the Fe bioavailability in our Fe fertilization experiments. Thus, it is possible for this diatom to access particulate Fe in dusts by another mechanism besides uptake of unchelated Fe (Fe′) dissolved from particles into the bulk solution. If this capability is widespread in the Southern Ocean, then dusts deposited to the Southern Ocean in cold glacial periods are likely more bioavailable than those deposited in warm interglacial periods. PMID:28691098</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011AIPC.1403..539G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011AIPC.1403..539G"><span>Modeling Analysis of Biomechanical Changes of Middle Ear and Cochlea in Otitis Media</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gan, Rong Z.; Zhang, Xiangming; Guan, Xiying</p> <p>2011-11-01</p> <p>A comprehensive finite element (FE) model of the human ear including the ear canal, middle ear, and spiral cochlea was developed using histological sections of human temporal bone. The cochlea was modeled with three chambers separated by the basilar membrane and Reissner's membrane and filled with perilymphatic fluid. The viscoelastic material behavior was applied to middle ear soft tissues based on dynamic measurements of tissues in our lab. The model was validated using the experimental data obtained in human temporal bones and then used to simulate various stages of otitis media (OM) including the changes of morphology, mechanical properties, pressure, and fluid level in the middle ear. Function alterations of the middle ear and cochlea in OM were derived from the model and compared with the measurements from temporal bones. This study indicates that OM can be simulated in the FE model to predict the hearing loss induced by biomechanical changes of the middle ear and cochlea.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012cosp...39..989K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012cosp...39..989K"><span>Local factors modify the dose dependence of 56Fe-induced atherosclerosis.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kucik, Dennis; Gupta, Kiran; Wu, Xing; Yu, Tao; Chang, Polly; Kabarowski, Janusz; Yu, Shaohua</p> <p>2012-07-01</p> <p>Radiation exposure from a number of terrestrial sources is associated with an increased risk of cardiovascular disease, but evidence establishing whether high-LET radiation has similar effects has been lacking. We recently demonstrated that 600 MeV/n 56Fe induces atherosclerosis as well. Ten-week old male apolipoprotein-E deficient mice, a well-characterized atherosclerosis animal model, were exposed to 0 (control) 2, or 5Gy 56Fe targeted to the chest and neck. In these mice, 56Fe-induced atherosclerosis was similar in character to that induced by X-rays in the same mouse model and to that resulting from therapeutic radiation in cancer patients. Atherosclerosis was exacerbated by 56Fe only in targeted areas, however, suggesting a direct effect of the radiation on the arteries themselves. This is in contrast to some other risk factors, such as high cholesterol or tobacco use, which have systemic effects. The radiation dose required to accelerate development of atherosclerotic plaques, however, differed depending on the vessel that was irradiated and even the location within the vessel. For example, atherosclerosis in the aortic arch was accelerated only by the highest dose (5 Gy), while the carotid arteries and the aortic root showed effects at 2 Gy (a dose four- to eight-fold lower than the dose of X-rays that produces similar effects in this model). Since shear stress is disrupted in the area of the aortic root, it is likely that at least part of the site-specificity is due to additive or synergistic effects of radiation and local hydrodynamics. Other factors, such as local oxidative stress or gene expression may also have been involved. Since the pro-atherogenic effects of 56Fe depend on additional local factors, this suggests that radiation exposure, when unavoidable, might be mitigated by modification of factors unrelated to the radiation itself.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29223715','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29223715"><span>Development of two fluorine-18 labeled PET radioligands targeting PDE10A and in vivo PET evaluation in nonhuman primates.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Stepanov, Vladimir; Takano, Akihiro; Nakao, Ryuji; Amini, Nahid; Miura, Shotaro; Hasui, Tomoaki; Kimura, Haruhide; Taniguchi, Takahiko; Halldin, Christer</p> <p>2018-02-01</p> <p>Phosphodiesterase 10A (PDE10A) is a member of the PDE enzyme family that degrades cyclic adenosine and guanosine monophosphates (cAMP and cGMP). Based on the successful development of [ 11 C]T-773 as PDE10A positron emission tomography (PET) radioligand, in this study our aim was to develop and evaluate fluorine-18 analogs of [ 11 C]T-773. [ 18 F]FM-T-773-d 2 and [ 18 F]FE-T-773-d 4 were synthesized from the same precursor used for 11 C-labeling of T-773 in a two-step approach via 18 F-fluoromethylation and 18 F-fluoroethylation, respectively, using corresponding deuterated synthons. A total of 12 PET measurements were performed in seven non-human primates. First, baseline PET measurements were performed using High Resolution Research Tomograph system with both [ 18 F]FM-T-773-d 2 and [ 18 F]FE-T-773-d 4 ; the uptake in whole brain and separate brain regions, as well as the specific binding and tissue ratio between putamen and cerebellum, was examined. Second, baseline and pretreatment PET measurements using MP-10 as the blocker were performed for [ 18 F]FM-T-773-d 2 including arterial blood sampling with radiometabolite analysis in four NHPs. Both [ 18 F]FM-T-773-d 2 and [ 18 F]FE-T-773-d 4 were successfully radiolabeled with an average molar activity of 293 ± 114 GBq/μmol (n=8) for [ 18 F]FM-T-773-d 2 and 209 ± 26 GBq/μmol (n=4) for [ 18 F]FE-T-773-d 4 , and a radiochemical yield of 10% (EOB, n=12, range 3%-16%). Both radioligands displayed high brain uptake (~5.5% of injected radioactivity for [ 18 F]FM-T-773-d 2 and ~3.5% for [ 18 F]FE-T-773-d 4 at the peak) and a fast washout. Specific binding reached maximum within 30 min for [ 18 F]FM-T-773-d 2 and after approximately 45 min for [ 18 F]FE-T-773-d 4 . [ 18 F]FM-T-773-d 2 data fitted well with kinetic compartment models. BP ND values obtained indirectly through compartment models were correlated well with those obtained by SRTM. BP ND calculated with SRTM was 1.0-1.7 in the putamen. The occupancy with 1.8 mg/kg of MP-10 was approximately 60%. [ 18 F]FM-T-773-d 2 and [ 18 F]FE-T-773-d 4 were developed as fluorine-18 PET radioligands for PDE10A, with the [ 18 F]FM-T-773-d 2 being the more promising PET radioligand warranting further evaluation. Copyright © 2017 Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012PhDT........97B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012PhDT........97B"><span>Constitutive modeling of aluminum foam and finite element implementation for crash simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bi, Jing</p> <p></p> <p>In the past decades metallic foams have been increasingly used as filler materials in crashworthiness applications due to their relatively low cost and high capacity of energy absorption. Due to the destructive nature of crashes, studies on the performance of metallic foams using physical testing have been limited to examining the crushing force histories and/or folding patterns that are insufficient for crashworthiness designs. For this reason, numerical simulations, particularly nonlinear finite element (FE) analyses, play an important role in designing crashworthy foam-filled structures. An effective and numerically stable model is needed for modeling metallic foams that are porous and encounter large nonlinear deformations in crashes. In this study a new constitutive model for metallic foams is developed to overcome the deficiency of existing models in commercial FE codes such as LS-DYNA. The new constitutive model accounts for volume changes under hydrostatic compression and combines the hydrostatic pressure and von Mises stress into one yield function. The change of the compressibility of the metallic foam is handled in the constitutive model by allowing for shape changes of the yield surface in the hydrostatic pressure-von Mises stress space. The backward Euler method is adopted to integrate the constitutive equations to achieve numerical accuracy and stability. The new foam model is verified and validated by existing experimental data before used in FE simulations of crushing of foam-filled columns that have square and hexagonal cross-sections.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23540724','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23540724"><span>Considerations when loading spinal finite element models with predicted muscle forces from inverse static analyses.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zhu, Rui; Zander, Thomas; Dreischarf, Marcel; Duda, Georg N; Rohlmann, Antonius; Schmidt, Hendrik</p> <p>2013-04-26</p> <p>Mostly simplified loads were used in biomechanical finite element (FE) studies of the spine because of a lack of data on muscular physiological loading. Inverse static (IS) models allow the prediction of muscle forces for predefined postures. A combination of both mechanical approaches - FE and IS - appears to allow a more realistic modeling. However, it is unknown what deviations are to be expected when muscle forces calculated for models with rigid vertebrae and fixed centers of rotation, as generally found in IS models, are applied to a FE model with elastic vertebrae and discs. The aim of this study was to determine the effects of these disagreements. Muscle forces were estimated for 20° flexion and 10° extension in an IS model and transferred to a FE model. The effects of the elasticity of bony structures (rigid vs. elastic) and the definition of the center of rotation (fixed vs. non-fixed) were quantified using the deviation of actual intervertebral rotation (IVR) of the FE model and the targeted IVR from the IS model. For extension, the elasticity of the vertebrae had only a minor effect on IVRs, whereas a non-fixed center of rotation increased the IVR deviation on average by 0.5° per segment. For flexion, a combination of the two parameters increased IVR deviation on average by 1° per segment. When loading FE models with predicted muscle forces from IS analyses, the main limitations in the IS model - rigidity of the segments and the fixed centers of rotation - must be considered. Copyright © 2013 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://pubs.usgs.gov/wri/1998/4172/report.pdf','USGSPUBS'); return false;" href="https://pubs.usgs.gov/wri/1998/4172/report.pdf"><span>Application of nonlinear-regression methods to a ground-water flow model of the Albuquerque Basin, New Mexico</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://pubs.er.usgs.gov/pubs/index.jsp?view=adv">USGS Publications Warehouse</a></p> <p>Tiedeman, C.R.; Kernodle, J.M.; McAda, D.P.</p> <p>1998-01-01</p> <p>This report documents the application of nonlinear-regression methods to a numerical model of ground-water flow in the Albuquerque Basin, New Mexico. In the Albuquerque Basin, ground water is the primary source for most water uses. Ground-water withdrawal has steadily increased since the 1940's, resulting in large declines in water levels in the Albuquerque area. A ground-water flow model was developed in 1994 and revised and updated in 1995 for the purpose of managing basin ground- water resources. In the work presented here, nonlinear-regression methods were applied to a modified version of the previous flow model. Goals of this work were to use regression methods to calibrate the model with each of six different configurations of the basin subsurface and to assess and compare optimal parameter estimates, model fit, and model error among the resulting calibrations. The Albuquerque Basin is one in a series of north trending structural basins within the Rio Grande Rift, a region of Cenozoic crustal extension. Mountains, uplifts, and fault zones bound the basin, and rock units within the basin include pre-Santa Fe Group deposits, Tertiary Santa Fe Group basin fill, and post-Santa Fe Group volcanics and sediments. The Santa Fe Group is greater than 14,000 feet (ft) thick in the central part of the basin. During deposition of the Santa Fe Group, crustal extension resulted in development of north trending normal faults with vertical displacements of as much as 30,000 ft. Ground-water flow in the Albuquerque Basin occurs primarily in the Santa Fe Group and post-Santa Fe Group deposits. Water flows between the ground-water system and surface-water bodies in the inner valley of the basin, where the Rio Grande, a network of interconnected canals and drains, and Cochiti Reservoir are located. Recharge to the ground-water flow system occurs as infiltration of precipitation along mountain fronts and infiltration of stream water along tributaries to the Rio Grande; subsurface flow from adjacent regions; irrigation and septic field seepage; and leakage through the Rio Grande, canal, and Cochiti Reservoir beds. Ground water is discharged from the basin by withdrawal; evapotranspiration; subsurface flow; and flow to the Rio Grande, canals, and drains. The transient, three-dimensional numerical model of ground-water flow to which nonlinear-regression methods were applied simulates flow in the Albuquerque Basin from 1900 to March 1995. Six different basin subsurface configurations are considered in the model. These configurations are designed to test the effects of (1) varying the simulated basin thickness, (2) including a hypothesized hydrogeologic unit with large hydraulic conductivity in the western part of the basin (the west basin high-K zone), and (3) substantially lowering the simulated hydraulic conductivity of a fault in the western part of the basin (the low-K fault zone). The model with each of the subsurface configurations was calibrated using a nonlinear least- squares regression technique. The calibration data set includes 802 hydraulic-head measurements that provide broad spatial and temporal coverage of basin conditions, and one measurement of net flow from the Rio Grande and drains to the ground-water system in the Albuquerque area. Data are weighted on the basis of estimates of the standard deviations of measurement errors. The 10 to 12 parameters to which the calibration data as a whole are generally most sensitive were estimated by nonlinear regression, whereas the remaining model parameter values were specified. Results of model calibration indicate that the optimal parameter estimates as a whole are most reasonable in calibrations of the model with with configurations 3 (which contains 1,600-ft-thick basin deposits and the west basin high-K zone), 4 (which contains 5,000-ft-thick basin de</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1261062','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1261062"><span>NEAMS-ATF M3 Milestone Report: Literature Review of Modeling of Radiation-Induced Swelling in Fe-Cr-Al Steels</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Bai, Xianming; Biner, Suleyman Bulent; Jiang, Chao</p> <p>2015-12-01</p> <p>Fe-Cr-Al steels are proposed as accident-tolerant-fuel (ATF) cladding materials in light water reactors due to their excellent oxidation resistance at high temperatures. Currently, the understanding of their performance in reactor environment is still limited. In this review, firstly we reviewed the experimental studies of Fe-Cr-Al based alloys with particular focus on the radiation effects in these alloys. Although limited data are available in literature, several previous and recent experimental studies have shown that Fe-Cr-Al based alloys have very good void swelling resistance at low and moderate irradiation doses but the growth of dislocation loops is very active. Overall, the behaviormore » of radiation damage evolution is similar to that in Fe-Cr ferritic/martensitic alloys. Secondly, we reviewed the rate theory-based modeling methods for modeling the coevolution of voids and dislocation loops in materials under irradiation such as Frenkel pair three-dimensional diffusion model (FP3DM) and cluster dynamics. Finally, we summarized and discussed our review and proposed our future plans for modeling radiation damage in Fe-Cr-Al based alloys.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1376462-fuel-consumption-sensitivity-conventional-hybrid-electric-light-duty-gasoline-vehicles-driving-style','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1376462-fuel-consumption-sensitivity-conventional-hybrid-electric-light-duty-gasoline-vehicles-driving-style"><span>Fuel Consumption Sensitivity of Conventional and Hybrid Electric Light-Duty Gasoline Vehicles to Driving Style</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Thomas, John; Huff, Shean; West, Brian; ...</p> <p>2017-08-11</p> <p>Aggressive driving is a very important topic for many reasons, one of which is higher energy used per unit distance traveled, potentially accompanied by an elevated production of greenhouse gases and other pollutants. Examining a large data set of self-reported fuel economy (FE) values revealed that the dispersion of FE values is quite large and is larger for hybrid electric vehicles (HEVs) than for conventional gasoline vehicles. This occurred despite the fact that the city and highway FE ratings for HEVs are generally much closer in value than for conventional gasoline vehicles. A study was undertaken to better understand thismore » and better quantify the effects of aggressive driving, including reviewing past aggressive driving studies, developing and exercising a new vehicle energy model, and conducting a related experimental investigation. The vehicle energy model focused on the limitations of regenerative braking in combination with varying levels of driving-style aggressiveness to show that this could account for greater FE variation in an HEV compared to a similar conventional vehicle. A closely matched pair of gasoline-fueled sedans, one an HEV and the other having a conventional powertrain, was chosen for both modeling and chassis dynamometer experimental comparisons. Results indicate that the regenerative braking limitations could be a main contributor to the greater HEV FE variation under the range of drive cycles considered. Finally, the complete body of results gives insight into the range of fuel use penalties that results from aggressive driving and why the variation can be larger on a percent basis for an HEV compared to a similar conventional vehicle, while the absolute fuel use penalty for aggressive driving is generally larger for conventional vehicles than HEVs.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1376462-fuel-consumption-sensitivity-conventional-hybrid-electric-light-duty-gasoline-vehicles-driving-style','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1376462-fuel-consumption-sensitivity-conventional-hybrid-electric-light-duty-gasoline-vehicles-driving-style"><span>Fuel Consumption Sensitivity of Conventional and Hybrid Electric Light-Duty Gasoline Vehicles to Driving Style</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Thomas, John; Huff, Shean; West, Brian</p> <p></p> <p>Aggressive driving is a very important topic for many reasons, one of which is higher energy used per unit distance traveled, potentially accompanied by an elevated production of greenhouse gases and other pollutants. Examining a large data set of self-reported fuel economy (FE) values revealed that the dispersion of FE values is quite large and is larger for hybrid electric vehicles (HEVs) than for conventional gasoline vehicles. This occurred despite the fact that the city and highway FE ratings for HEVs are generally much closer in value than for conventional gasoline vehicles. A study was undertaken to better understand thismore » and better quantify the effects of aggressive driving, including reviewing past aggressive driving studies, developing and exercising a new vehicle energy model, and conducting a related experimental investigation. The vehicle energy model focused on the limitations of regenerative braking in combination with varying levels of driving-style aggressiveness to show that this could account for greater FE variation in an HEV compared to a similar conventional vehicle. A closely matched pair of gasoline-fueled sedans, one an HEV and the other having a conventional powertrain, was chosen for both modeling and chassis dynamometer experimental comparisons. Results indicate that the regenerative braking limitations could be a main contributor to the greater HEV FE variation under the range of drive cycles considered. Finally, the complete body of results gives insight into the range of fuel use penalties that results from aggressive driving and why the variation can be larger on a percent basis for an HEV compared to a similar conventional vehicle, while the absolute fuel use penalty for aggressive driving is generally larger for conventional vehicles than HEVs.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://pubs.er.usgs.gov/publication/70190585','USGSPUBS'); return false;" href="https://pubs.er.usgs.gov/publication/70190585"><span>The role of alluvial aquifer sediments in attenuating a dissolved arsenic plume</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://pubs.er.usgs.gov/pubs/index.jsp?view=adv">USGS Publications Warehouse</a></p> <p>Ziegler, Brady A.; Schreiber, Madeline E.; Cozzarelli, Isabelle M.</p> <p>2017-01-01</p> <p>In a crude-oil-contaminated sandy aquifer at the Bemidji site in northern Minnesota, biodegradation of petroleum hydrocarbons has resulted in release of naturally occurring As to groundwater under Fe-reducing conditions. This study used chemical extractions of aquifer sediments collected in 1993 and 2011–2014 to evaluate the relationship between Fe and As in different redox zones (oxic, methanogenic, Fe-reducing, anoxic-suboxic transition) of the contaminated aquifer over a twenty-year period. Results show that 1) the aquifer has the capacity to naturally attenuate the plume of dissolved As, primarily through sorption; 2) Fe and As are linearly correlated in sediment across all redox zones, and a regression analysis between Fe and As reasonably predicted As concentrations in sediment from 1993 using only Fe concentrations; 3) an As-rich “iron curtain,” associated with the anoxic-suboxic transition zone, migrated 30 m downgradient between 1993 and 2013 as a result of the hydrocarbon plume evolution; and 4) silt lenses in the aquifer preferentially sequester dissolved As, though As is remobilized into groundwater from sediment after reducing conditions are established. Using results of this study coupled with historical data, we develop a conceptual model which summarizes the natural attenuation of As and Fe over time and space that can be applied to other sites that experience As mobilization due to an influx of bioavailable organic matter.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28797670','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28797670"><span>The role of alluvial aquifer sediments in attenuating a dissolved arsenic plume.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ziegler, Brady A; Schreiber, Madeline E; Cozzarelli, Isabelle M</p> <p>2017-09-01</p> <p>In a crude-oil-contaminated sandy aquifer at the Bemidji site in northern Minnesota, biodegradation of petroleum hydrocarbons has resulted in release of naturally occurring As to groundwater under Fe-reducing conditions. This study used chemical extractions of aquifer sediments collected in 1993 and 2011-2014 to evaluate the relationship between Fe and As in different redox zones (oxic, methanogenic, Fe-reducing, anoxic-suboxic transition) of the contaminated aquifer over a twenty-year period. Results show that 1) the aquifer has the capacity to naturally attenuate the plume of dissolved As, primarily through sorption; 2) Fe and As are linearly correlated in sediment across all redox zones, and a regression analysis between Fe and As reasonably predicted As concentrations in sediment from 1993 using only Fe concentrations; 3) an As-rich "iron curtain," associated with the anoxic-suboxic transition zone, migrated 30m downgradient between 1993 and 2013 as a result of the hydrocarbon plume evolution; and 4) silt lenses in the aquifer preferentially sequester dissolved As, though As is remobilized into groundwater from sediment after reducing conditions are established. Using results of this study coupled with historical data, we develop a conceptual model which summarizes the natural attenuation of As and Fe over time and space that can be applied to other sites that experience As mobilization due to an influx of bioavailable organic matter. Copyright © 2017 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29737167','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29737167"><span>Novel Flaxseed Gum Nanocomposites Are Slow Release Iron Supplements.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Liang, Shan; Huang, Yu; Shim, Youn Young; Ma, Xiang; Reaney, Martin J T; Wang, Yong</p> <p>2018-05-23</p> <p>Nanocomposites, based on iron salts and soluble flaxseed gum (FG), were prepared as potential treatments of iron deficiency anemia (IDA). FG was extracted, characterized, and formulated into iron-loading nanocomposites via ion-exchange against FeCl 3 , Fe 2 (SO 4 ) 3 , FeCl 2 , and FeSO 4 ·7H 2 O. FG-iron nanocomposites preparation condition was optimized, and physicochemical properties of the nanocomposites were investigated. In vitro release kinetics of iron in simulated gastric fluid (SGF) was also evaluated. FG heteropolysaccharide, consisting of rhamnose (33.73%), arabinose (24.35%), xylose (14.23%), glucose (4.54%), and galactose (23.15%) monosaccharides, linked together via varieties of glycosidic bonds, was a good recipient for both ferric and ferrous irons under screened conditions (i.e., 80 °C, 2 h, I/G = 1:2). Iron loaded contents in the nanocomposites prepared from FG-FeCl 3 , FG-Fe 2 (SO 4 ) 3 , FG-FeCl 2 , and FG-FeSO 4 ·7H 2 O were 25.51%, 10.36%, 5.83%, and 22.83%, respectively. Iron in these nanocomposites was mostly in a bound state, especially in FG-FeCl 3 , due to chelation forming bonds between iron and polysaccharide hydroxyl or carboxyl groups and formed stable polysaccharide-iron crystal network structures. Free iron ions were effectively removed by ethanol treatments. Because of chelation, the nanocomposites delayed iron release in SGF and the release kinetics were consistent with Korsmeyer-Peppas model. This indicates that such complexes might reduce side effects of free iron in human stomach. Altogether, this study indicates that these synthetic FG-iron nanocomposites might be developed as novel iron supplements for iron deficiency, in which FG-FeCl 3 is considered as the best option.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22271136-magnetic-properties-mixed-spinel-batio-sub-nife-sub-sub-composites','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22271136-magnetic-properties-mixed-spinel-batio-sub-nife-sub-sub-composites"><span>Magnetic properties of mixed spinel BaTiO{sub 3}-NiFe{sub 2}O{sub 4} composites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Sarkar, Babusona; Dalal, Biswajit; Dev Ashok, Vishal</p> <p>2014-03-28</p> <p>Solid solution of nickel ferrite (NiFe{sub 2}O{sub 4}) and barium titanate (BaTiO{sub 3}), (100-x)BaTiO{sub 3}–(x) NiFe{sub 2}O{sub 4} has been prepared by solid state reaction. Compressive strain is developed in NiFe{sub 2}O{sub 4} due to mutual structural interaction across the interface of NiFe{sub 2}O{sub 4} and BaTiO{sub 3} phases. Quantitative analysis of X-ray diffraction and X-ray photo electron spectrum suggest mixed spinel structure of NiFe{sub 2}O{sub 4}. A systematic study of composition dependence of composite indicates BaTiO{sub 3} causes a random distribution of Fe and Ni cations among octahedral and tetrahedral sites during non-equilibrium growth of NiFe{sub 2}O{sub 4}. Themore » degree of inversion decreases monotonically from 0.97 to 0.75 with increase of BaTiO{sub 3} content. Temperature dependence of magnetization has been analyzed by four sublattice model to describe complex magnetic exchange interactions in mixed spinel phase. Curie temperature and saturation magnetization decrease with increase of BaTiO{sub 3} concentration. Enhancement of strain and larger occupancy of Ni{sup 2+} at tetrahedral site increase coercivity up to 200 Oe. Magnetostructual coupling induced by BaTiO{sub 3} improves coercivity in NiFe{sub 2}O{sub 4}. An increase in the demagnetization and homogeneity in magnetization process in NiFe{sub 2}O{sub 4} is observed due to the interaction with diamagnetic BaTiO{sub 3}.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1328318','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1328318"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Yang, Ying</p> <p></p> <p>Radiation-induced segregation (RIS) has been frequently reported in structural materials such as austenitic, ferritic, and ferritic-martensitic stainless steels (SS) that have been widely used in light water reactors (LWRs). RIS has been linked to secondary degradation effects in SS including irradiation-induced stress corrosion cracking (IASCC). Earlier studies on thermal segregation in Fe-based alloys found that metalloids elements such as P, S, Si, Ge, Sn, etc., embrittle the materials when enrichment was observed at grain boundaries (GBs). RIS of Fe-Cr-Ni-based austenitic steels has been modeled in the U.S. 2015 fiscal year (FY2015), which identified the pre-enrichment due to thermal segregation canmore » have an important role on the subsequent RIS. The goal of this work is to develop thermal segregation models for alloying elements in steels for future integration with RIS modeling.« less</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li class="active"><span>25</span></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_25 --> <div class="footer-extlink text-muted" style="margin-bottom:1rem; text-align:center;">Some links on this page may take you to non-federal websites. 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