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.
Cui, Shihai; Li, Haiyan; Li, Xiangnan; Ruan, Jesse
2015-01-01
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.
Cui, Shihai; Li, Haiyan; Li, Xiangnan; Ruan, Jesse
2015-01-01
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
The Influence of Neck Muscle Activation on Head and Neck Injuries of Occupants in Frontal Impacts.
Li, Fan; Lu, Ronggui; Hu, Wei; Li, Honggeng; Hu, Shiping; Hu, Jiangzhong; Wang, Haibin; Xie, He
2018-01-01
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.
NASA Astrophysics Data System (ADS)
Nikolić, Dalibor; Milošević, Žarko; Saveljić, Igor; Filipović, Nenad
2015-12-01
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.
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.
White, Nicholas A; Danelson, Kerry A; Gayzik, F Scott; Stitzel, Joel D
2014-11-01
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.
Scott, Gregory G; Margulies, Susan S; Coats, Brittany
2016-10-01
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.
Atsumi, Noritoshi; Nakahira, Yuko; Tanaka, Eiichi; Iwamoto, Masami
2018-05-01
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.
Optimization of a reversible hood for protecting a pedestrian's head during car collisions.
Huang, Sunan; Yang, Jikuang
2010-07-01
This study evaluated and optimized the performance of a reversible hood (RH) for the prevention of the head injuries of an adult pedestrian from car collisions. The FE model of a production car front was introduced and validated. The baseline RH was developed from the original hood in the validated car front model. In order to evaluate the protective performance of the baseline RH, the FE models of an adult headform and a 50th percentile human head were used in parallel to impact the baseline RH. Based on the evaluation, the response surface method was applied to optimize the RH in terms of the material stiffness, lifting speed, and lifted height. Finally, the headform model and the human head model were again used to evaluate the protective performance of the optimized RH. It was found that the lifted baseline RH can obviously reduce the impact responses of the headform model and the human head model by comparing with the retracted and lifting baseline RH. When the optimized RH was lifted, the HIC values of the headform model and the human head model were further reduced to much lower than 1000. The risk of pedestrian head injuries can be prevented as required by EEVC WG17. Copyright 2009 Elsevier Ltd. All rights reserved.
Li, Zhigang; Liu, Weiguo; Zhang, Jinhuan; Hu, Jingwen
2015-09-01
Skull fracture is one of the most common pediatric traumas. However, injury assessment tools for predicting pediatric skull fracture risk is not well established mainly due to the lack of cadaver tests. Weber conducted 50 pediatric cadaver drop tests for forensic research on child abuse in the mid-1980s (Experimental studies of skull fractures in infants, Z Rechtsmed. 92: 87-94, 1984; Biomechanical fragility of the infant skull, Z Rechtsmed. 94: 93-101, 1985). To our knowledge, these studies contained the largest sample size among pediatric cadaver tests in the literature. However, the lack of injury measurements limited their direct application in investigating pediatric skull fracture risks. In this study, 50 pediatric cadaver tests from Weber's studies were reconstructed using a parametric pediatric head finite element (FE) model which were morphed into subjects with ages, head sizes/shapes, and skull thickness values that reported in the tests. The skull fracture risk curves for infants from 0 to 9 months old were developed based on the model-predicted head injury measures through logistic regression analysis. It was found that the model-predicted stress responses in the skull (maximal von Mises stress, maximal shear stress, and maximal first principal stress) were better predictors than global kinematic-based injury measures (peak head acceleration and head injury criterion (HIC)) in predicting pediatric skull fracture. This study demonstrated the feasibility of using age- and size/shape-appropriate head FE models to predict pediatric head injuries. Such models can account for the morphological variations among the subjects, which cannot be considered by a single FE human model.
Zheng, Yanting; Shen, Ming; Yang, Xianfeng
2018-01-01
To investigate head-brain injuries caused by windshield impact on riders using electric self-balancing scooters (ESS). Numerical vehicle ESS crash scenarios are constructed by combining the finite element (FE) vehicle model and multibody scooter/rider models. Impact kinematic postures of the head-windshield contact under various impact conditions are captured. Then, the processes during head-windshield contact are reconstructed using validated FE head/laminated windshield models to assess the severity of brain injury caused by the head-windshield contact. Governing factors, such as vehicle speed, ESS speed, and the initial orientation of ESS rider, have nontrivial influences over the severity of a rider's brain injuries. Results also show positive correlations between vehicle speed and head-windshield impact speeds (linear and angular). Meanwhile, the time of head-windshield contact happens earlier when the vehicle speed is faster. According to the intensive study, windshield-head contact speed (linear and angular), impact location on the windshield, and head collision area are found to be direct factors on ESS riders' brain injuries during an impact. The von Mises stress and shear stress rise when relative contact speed of head-windshield increases. Brain injury indices vary widely when the head impacting the windshield from center to the edge or impacting with different areas. PMID:29770161
An improved finite element modeling of the cerebrospinal fluid layer in the head impact analysis.
Wu, John Z; Pan, Christopher S; Wimer, Bryan M; Rosen, Charles L
2017-01-01
The finite element (FE) method has been widely used to investigate the mechanism of traumatic brain injuries (TBIs), because it is technically difficult to quantify the responses of the brain tissues to the impact in experiments. One of technical challenges to build a FE model of a human head is the modeling of the cerebrospinal fluid (CSF) of the brain. In the current study, we propose to use membrane elements to construct the CSF layer. Using the proposed approach, we demonstrate that a head model can be built by using existing meshes available in commercial databases, without using any advanced meshing software tool, and with the sole use of native functions of the FE package Abaqus. The calculated time histories of the intracranial pressures at frontal, posterior fossa, parietal, and occipital positions agree well with the experimental data and the simulations in the literature, indicating that the physical effects of the CSF layer have been accounted for in the proposed modeling approach. The proposed modeling approach would be useful for bioengineers to solve practical problems.
Research study on neck injury lessening with active head restraint using human body FE model.
Kitagawa, Yuichi; Yasuki, Tsuyoshi; Hasegawa, Junji
2008-12-01
The objective of this study is to examine the effectiveness of the active head restraint system in reducing neck injury risk of car occupants in low-speed rear impacts. A human body FE model "THUMS" was used to simulate head and neck kinematics of the occupant and to evaluate loading to the neck. Joint capsule strain was calculated to predict neck injury risk as well as NIC. The validity of the model was confirmed comparing its mechanical responses to those in human subjects in the literatures. Seat FE models were also prepared representing one with a fixed head restraint and the other one with an active head restraint system. The active head restraint system was designed to move the head restraint forward and upward when the lower unit was lower unit was loaded by the pelvis. Rear impact simulations were performed assuming a triangular acceleration pulse at a delta-V of 25 km/h. The model reproduced similar head and neck motions to those measured in the human volunteer test, except for active muscular responses. The calculated joint capsule strain also showed a good match with those of PMHS tests in the literature. A rear-impact simulation was conducted using the model with the fixed head restraint. The result revealed that NIC was strongly correlated with the relative acceleration between the head and the torso and that its maximum peak appeared when the head contacted the head restraint. It was also found that joint capsule strain grew in later timing synchronizing with the relative displacement. Another simulation with the active head restraint system showed that both NIC and joint capsule strain were lowered owing to the forward and upward motion of the head restraint. A close investigation of the vertebral motion indicated that the active head restraint reduced the magnitude of shear deformation in the facet joint, which contributed to the strain growth in the fixed head restraint case. Rear-impact simulations were conducted using a human body FE model, THUMS, representing an average-size male occupant. The cervical system including the facet joint capsules was incorporated to the model. The validity of the model was examined comparing its mechanical responses to those in the literature such as the whole body motion of the volunteer subject and the vertebral motion in the PMHS tests. Rear-impact simulations were conducted using the validated THUMS model and two prototype seat models; one had a fixed head restraint and the other one was equipped with an active head restraint system. The active head restraint system works moving the head restraint forward and upward when the lower unit is loaded by the pelvis. The head and neck kinematics and responses were analyzed from the simulation results. The force and acceleration rose at the pelvis first, followed by T1 and the head. The early timing of force rise and its magnitude indicated that the pelvis force was a good trigger for the active head restraint system. The results showed that the head was supported earlier in a case with the active head restraint system, and both NIC and joint capsule strain were lowered. The study also analyzed the mechanism of strain growth in the joint capsules. Relatively greater strain was observed in the direction of the facet joint surface, which was around 45 degrees inclined to the spinal column. The forward and upward motion of the active head restraint were aligned with the direction of the joint deformation and contributed to lower strain in the joint capsules. The results indicated that the active head restraint could help reduce the neck injury risk not only by supporting the head at an early timing but also through its trajectory stopping the joint deformation.
Maltese, Matthew R; Margulies, Susan S
2016-11-01
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.
NASA Astrophysics Data System (ADS)
Indahlastari, Aprinda; Chauhan, Munish; Schwartz, Benjamin; Sadleir, Rosalind J.
2016-12-01
Objective. In this study, we determined efficient head model sizes relative to predicted current densities in transcranial direct current stimulation (tDCS). Approach. Efficiency measures were defined based on a finite element (FE) simulations performed using nine human head models derived from a single MRI data set, having extents varying from 60%-100% of the original axial range. Eleven tissue types, including anisotropic white matter, and three electrode montages (T7-T8, F3-right supraorbital, Cz-Oz) were used in the models. Main results. Reducing head volume extent from 100% to 60%, that is, varying the model’s axial range from between the apex and C3 vertebra to one encompassing only apex to the superior cerebellum, was found to decrease the total modeling time by up to half. Differences between current density predictions in each model were quantified by using a relative difference measure (RDM). Our simulation results showed that {RDM} was the least affected (a maximum of 10% error) for head volumes modeled from the apex to the base of the skull (60%-75% volume). Significance. This finding suggested that the bone could act as a bioelectricity boundary and thus performing FE simulations of tDCS on the human head with models extending beyond the inferior skull may not be necessary in most cases to obtain reasonable precision in current density results.
Ruan, Jesse S; El-Jawahri, Raed; Rouhana, Stephen W; Barbat, Saeed; Prasad, Priya
2006-11-01
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.
Influence of Punch Geometry on Process Parameters in Cold Backward Extrusion
NASA Astrophysics Data System (ADS)
Plančak, M.; Barišić, B.; Car, Z.; Movrin, D.
2011-01-01
In cold extrusion of steel tools make direct contact with the metal to be extruded. Those tools are exposed to high contact stresses which, in certain cases, may be limiting factors in applying this technology. The present paper was bound to the influence of punch head design on radial stress at the container wall in the process of cold backward extrusion. Five different punch head geometries were investigated. Radial stress on the container wall was measured by pin load cell technique. Special tooling for the experimental investigation was designed and made. Process has been analyzed also by FE method. 2D models of tools were obtained by UGS NX and for FE analysis Simufact Forming GP software was used. Obtained results (experimental and obtained by FE) were compared and analyzed. Optimal punch head geometry has been suggested.
Sahoo, Debasis; Robbe, Cyril; Deck, Caroline; Meyer, Frank; Papy, Alexandre; Willinger, Remy
2016-11-01
The main objective of this study is to develop a methodology to assess this risk based on experimental tests versus numerical predictive head injury simulations. A total of 16 non-lethal projectiles (NLP) impacts were conducted with rigid force plate at three different ranges of impact velocity (120, 72 and 55m/s) and the force/deformation-time data were used for the validation of finite element (FE) NLP. A good accordance between experimental and simulation data were obtained during validation of FE NLP with high correlation value (>0.98) and peak force discrepancy of less than 3%. A state-of-the art finite element head model with enhanced brain and skull material laws and specific head injury criteria was used for numerical computation of NLP impacts. Frontal and lateral FE NLP impacts to the head model at different velocities were performed under LS-DYNA. It is the very first time that the lethality of NLP is assessed by axonal strain computation to predict diffuse axonal injury (DAI) in NLP impacts to head. In case of temporo-parietal impact the min-max risk of DAI is 0-86%. With a velocity above 99.2m/s there is greater than 50% risk of DAI for temporo-parietal impacts. All the medium- and high-velocity impacts are susceptible to skull fracture, with a percentage risk higher than 90%. This study provides tool for a realistic injury (DAI and skull fracture) assessment during NLP impacts to the human head. Copyright © 2016 Elsevier Ltd. All rights reserved.
Study on Brain Injury Biomechanics Based on the Real Pedestrian Traffic Accidents
NASA Astrophysics Data System (ADS)
Feng, Chengjian; Yin, Zhiyong
This paper aimed to research the dynamic response and injury mechanisms of head based on real pedestrian traffic accidents with video. The kinematics of head contact with the vehicle was reconstructed by using multi-body dynamics models. These calculated parameters such as head impact velocity and impact location and head orientation were applied to the THUMS-4 FE head model as initial conditions. The intracranial pressure and stress of brain were calculated from simulations of head contact with the vehicle. These results were consistent with that of others. It was proved that real traffic accidents combined with simulation analysis can be used to study head injury biomechanics. Increasing in the number of cases, a tolerance limit of brain injury will be put forward.
Influence of gravity for optimal head positions in the treatment of head injury patients.
Li, Xiaogai; von Holst, Hans; Kleiven, Svein
2011-10-01
Brain edema is a major neurological complication of traumatic brain injury (TBI), commonly including a pathologically increased intracranial pressure (ICP) associated with poor outcome. In this study, gravitational force is suggested to have a significant impact on the pressure of the edema zone in the brain tissue and the objective of the study was to investigate the significance of head position on edema at the posterior part of the brain using a finite element (FE) model. A detailed FE model including the meninges, brain tissue and a fully connected cerebrospinal fluid (CSF) system was used in this study. Brain tissue was modelled as a poroelastic material consisting of an elastic solid skeleton composed of neurons and neuroglia, permeated by interstitial fluid. The effect of head positions (supine and prone position) due to gravity was investigated for a localized brain edema at the posterior part of the brain. The water content increment at the edema zone remained nearly identical for both positions. However, the interstitial fluid pressure (IFP) inside the edema zone decreased around 15% by having the head in a prone position compared with a supine position. The decrease of IFP inside the edema zone by changing patient position from supine to prone has the potential to alleviate the damage to central nervous system nerves. These observations indicate that considering the patient's head position during intensive care and at rehabilitation might be of importance to the treatment of edematous regions in TBI patients.
Blast and the Consequences on Traumatic Brain Injury-Multiscale Mechanical Modeling of Brain
2011-02-17
blast simulation. LS-DYNA as an explicit FE code has been employed to simulate this multi- material fluid –structure interaction problem. The 3-D head...formulation is implemented to model the air-blast simulation. LS-DYNA as an explicit FE code has been employed to simulate this multi-material fluid ...Biomechanics Study of Influencing Parameters for brain under Impact ............................... 12 5.1 The Impact of Cerebrospinal Fluid
Direct observation of charged domain walls in hybrid improper ferroelectric (Ca,Sr)3Ti2O7
NASA Astrophysics Data System (ADS)
Kurushima, Kousuke; Yoshimoto, Wataru; Ishii, Yui; Cheong, Sang-Wook; Mori, Shigeo
2017-10-01
We investigated ferroelectric (FE) domain wall structures including “charged domain walls” of hybrid improper FE (Ca,Sr)3Ti2O7 at the subatomic resolution by dark-field transmission electron microscopy (TEM) and high-resolution state-of-the-art aberration-corrected high-angle annular-dark-field (HAADF) scanning transmission electron microscopy (STEM). Dark-field TEM and high-resolution HAADF-STEM images obtained in the FE phase of single crystals of Ca2.46Sr0.54Ti2O7 revealed the formation of abundant charged domain walls with the head-to-head and tail-to-tail configurations in the FE domain structure, in addition to the FE 180° domain structure. The charged domain walls with the head-to-head and tail-to-tail FE polarizations exist stably and can be characterized as the unique double arc-type displacement of Ca/Sr ions in a unit cell without charge accumulation.
Simulation-based assessment for construction helmets.
Long, James; Yang, James; Lei, Zhipeng; Liang, Daan
2015-01-01
In recent years, there has been a concerted effort for greater job safety in all industries. Personnel protective equipment (PPE) has been developed to help mitigate the risk of injury to humans that might be exposed to hazardous situations. The human head is the most vulnerable to impact as a moderate magnitude can cause serious injury or death. That is why industries have required the use of an industrial hard hat or helmet. There have only been a few articles published to date that are focused on the risk of head injury when wearing an industrial helmet. A full understanding of the effectiveness of construction helmets on reducing injury is lacking. This paper presents a simulation-based method to determine the threshold at which a human will sustain injury when wearing a construction helmet and assesses the risk of injury for wearers of construction helmets or hard hats. Advanced finite element, or FE, models were developed to study the impact on construction helmets. The FE model consists of two parts: the helmet and the human models. The human model consists of a brain, enclosed by a skull and an outer layer of skin. The level and probability of injury to the head was determined using both the head injury criterion (HIC) and tolerance limits set by Deck and Willinger. The HIC has been widely used to assess the likelihood of head injury in vehicles. The tolerance levels proposed by Deck and Willinger are more suited for finite element models but lack wide-scale validation. Different cases of impact were studied using LSTC's LS-DYNA.
Finite element simulation of lower limb injuries to the driver in minibus frontal collisions.
Shi, Liang-Liang; Lei, Chen; Li, Kui; Fu, Shuo-Zhen; Wu, Zheng-Wei; Yin, Zhi-Yong
2016-06-01
This study aims to explore the biomechanical mechanism of lower limb injuries to the driver by establishing a finite element (FE) simulation model of collisions. First a minibus FE model was integrated with a seat belt system. Then it was used to rebuild two collisions together with the total human model for safety (THUMS) provided by Toyota Motor Corporation: a rear-end collision between a minibus and a truck and a head-on collision of a minibus to a rigid wall. The impact velocities of both collisions were set at 56 km/h. The vehicle dynamic response, vehicle deceleration, and dashboard intrusion in the two collisions were compared. In the minibus rear-end truck collision, the peak values of the von Mises equivalent stress at the tibia and the femur were 133 MPa and 126 MPa respectively; while in the minibus head-on rigid wall collision, the data were 139 MPa and 99 MPa. Compared with the minibus head-on rigid wall collision, the vehicle deceleration was smaller and the dashboard intrusion was larger in the minibus rear-end truck collision. The results illustrate that a longer dashboard incursion distance corresponds to a higher von Mises equivalent stress at the femur. The simulation results are consistent with the driver's autopsy report on lower limbs injuries. These findings verify that FE simulation method is reliable and useful to analyze the mechanisms of lower limb injuries to the driver in minibus frontal collisions.
Watanabe, Ryosuke; Katsuhara, Tadasuke; Miyazaki, Hiroshi; Kitagawa, Yuichi; Yasuki, Tsuyoshi
2012-10-01
Injuries in car to pedestrian collisions are affected by various factors such as the vehicle body type, pedestrian body size and impact location as well as the collision speed. This study aimed to investigate the influence of such factors taking a Finite Element (FE) approach. A total of 72 collision cases were simulated using three different vehicle FE models (Sedan, SUV, Mini-Van), three different pedestrian FE models (AM50, AF05, AM95), assuming two different impact locations (center and the corner of the bumper) and at four different collision speeds (20, 30, 40 and 50 km/h). The impact kinematics and the responses of the pedestrian model were validated against those in the literature prior to the simulations. The relationship between the collision speed and the predicted occurrence of head and chest injuries was examined for each case, analyzing the impact kinematics of the pedestrian against the vehicle body and resultant loading to the head and the chest. Strain based indicators were used in the simulation model to estimate skeletal injury (bony fracture) and soft tissue (brain and internal organs) injury. The study results primarily showed that the injury risk became higher with the collision speed, but was also affected by the combination of the factors such as the pedestrian size and the impact location. The study also discussed the injury patterns and trends with respect to the factors examined. In all of the simulated conditions, the model did not predict any severe injury at a collision speed of 20 km/h.
Numerical reconstruction and injury biomechanism in a car-pedestrian crash accident.
Zou, Dong-Hua; Li, Zheng-Dong; Shao, Yu; Feng, Hao; Chen, Jian-Guo; Liu, Ning-Guo; Huang, Ping; Chen, Yi-Jiu
2012-12-01
To reconstruct a car-pedestrian crash accident using numerical simulation technology and explore the injury biomechanism as forensic evidence for injury identification. An integration of multi-body dynamic, finite element (FE), and classical method was applied to a car-pedestrian crash accident. The location of the collision and the details of the traffic accident were determined by vehicle trace verification and autopsy. The accident reconstruction was performed by coupling the three-dimensional car behavior from PC-CRASH with a MADYMO dummy model. The collision FE models of head and leg, developed from CT scans of human remains, were loaded with calculated dummy collision parameters. The data of the impact biomechanical responses were extracted in terms of von Mises stress, relative displacement, strain and stress fringes. The accident reconstruction results were identical with the examined ones and the biomechanism of head and leg injuries, illustrated through the FE methods, were consistent with the classical injury theories. The numerical simulation technology is proved to be effective in identifying traffic accidents and exploring of injury biomechanism.
Modelling the pelvic floor for investigating difficulties during childbirth
NASA Astrophysics Data System (ADS)
Li, Xinshan; Kruger, Jennifer A.; Chung, Jae-Hoon; Nash, Martyn P.; Nielsen, Poul M. F.
2008-03-01
Research has suggested that athletes involved in high-intensity sports for sustained periods have a higher probability of experiencing prolonged second stage of labour compared to non-athletes. The mechanism responsible for this complication is unknown but may depend on the relative size or tone of the pelvic floor muscles. Prolonged training can result in enlargement and stiffening of these muscles, providing increased resistance as the fetal head descends through the birth canal during a vaginal birth. On the other hand, recent studies have suggested an association between increased muscle bulk in athletes and higher distensibility. This project aims to use mathematical modelling to study the relationship between the size and tone of the pelvic floor muscles and the level of difficulty during childbirth. We obtained sets of magnetic resonance (MR) images of the pelvic floor region for a female athlete and a female non-athlete. Thirteen components of the pelvic floor were segmented and used to generate finite element (FE) models. The fetal head data was obtained by laser scanning a skull replica and a FE model was fitted to these data. We used contact mechanics to simulate the motion of the fetal head moving through the pelvic floor, constructed from the non-athlete data. A maximum stretch ratio of 3.2 was induced in the muscle at the left lateral attachment point to the pubis. We plan to further improve our modelling framework to include active muscle contraction and fetal head rotations in order to address the hypotheses that there is a correlation between the level of difficulty and the size or tone of the pelvic floor muscles.
Brain Injury Differences in Frontal Impact Crash Using Different Simulation Strategies
Ma, Chunsheng; Shen, Ming; Li, Peiyu; Zhang, Jinhuan
2015-01-01
In the real world crashes, brain injury is one of the leading causes of deaths. Using isolated human head finite element (FE) model to study the brain injury patterns and metrics has been a simplified methodology widely adopted, since it costs significantly lower computation resources than a whole human body model does. However, the degree of precision of this simplification remains questionable. This study compared these two kinds of methods: (1) using a whole human body model carried on the sled model and (2) using an isolated head model with prescribed head motions, to study the brain injury. The distribution of the von Mises stress (VMS), maximum principal strain (MPS), and cumulative strain damage measure (CSDM) was used to compare the two methods. The results showed that the VMS of brain mainly concentrated at the lower cerebrum and occipitotemporal region close to the cerebellum. The isolated head modelling strategy predicted higher levels of MPS and CSDM 5%, while the difference is small in CSDM 10% comparison. It suggests that isolated head model may not equivalently reflect the strain levels below the 10% compared to the whole human body model. PMID:26495029
Hedenstierna, Sofia; Halldin, Peter
2008-04-15
A finite element (FE) model of the human neck with incorporated continuum or discrete muscles was used to simulate experimental impacts in rear, frontal, and lateral directions. The aim of this study was to determine how a continuum muscle model influences the impact behavior of a FE human neck model compared with a discrete muscle model. Most FE neck models used for impact analysis today include a spring element musculature and are limited to discrete geometries and nodal output results. A solid-element muscle model was thought to improve the behavior of the model by adding properties such as tissue inertia and compressive stiffness and by improving the geometry. It would also predict the strain distribution within the continuum elements. A passive continuum muscle model with nonlinear viscoelastic materials was incorporated into the KTH neck model together with active spring muscles and used in impact simulations. The resulting head and vertebral kinematics was compared with the results from a discrete muscle model as well as volunteer corridors. The muscle strain prediction was compared between the 2 muscle models. The head and vertebral kinematics were within the volunteer corridors for both models when activated. The continuum model behaved more stiffly than the discrete model and needed less active force to fit the experimental results. The largest difference was seen in the rear impact. The strain predicted by the continuum model was lower than for the discrete model. The continuum muscle model stiffened the response of the KTH neck model compared with a discrete model, and the strain prediction in the muscles was improved.
Finite element analysis of moment-rotation relationships for human cervical spine.
Zhang, Qing Hang; Teo, Ee Chon; Ng, Hong Wan; Lee, Vee Sin
2006-01-01
A comprehensive, geometrically accurate, nonlinear C0-C7 FE model of head and cervical spine based on the actual geometry of a human cadaver specimen was developed. The motions of each cervical vertebral level under pure moment loading of 1.0 Nm applied incrementally on the skull to simulate the movements of the head and cervical spine under flexion, tension, axial rotation and lateral bending with the inferior surface of the C7 vertebral body fully constrained were analysed. The predicted range of motion (ROM) for each motion segment were computed and compared with published experimental data. The model predicted the nonlinear moment-rotation relationship of human cervical spine. Under the same loading magnitude, the model predicted the largest rotation in extension, followed by flexion and axial rotation, and least ROM in lateral bending. The upper cervical spines are more flexible than the lower cervical levels. The motions of the two uppermost motion segments account for half (or even higher) of the whole cervical spine motion under rotational loadings. The differences in the ROMs among the lower cervical spines (C3-C7) were relatively small. The FE predicted segmental motions effectively reflect the behavior of human cervical spine and were in agreement with the experimental data. The C0-C7 FE model offers potentials for biomedical and injury studies.
Zhang, Liying; Makwana, Rahul; Sharma, Sumit
2013-01-01
Blast-induced traumatic brain injury has emerged as a “signature injury” in combat casualty care. Present combat helmets are designed primarily to protect against ballistic and blunt impacts, but the current issue with helmets is protection concerning blasts. In order to delineate the blast wave attenuating capability of the Advanced Combat Helmet (ACH), a finite element (FE) study was undertaken to evaluate the head response against blast loadings with and without helmet using a partially validated FE model of the human head and ACH. Four levels of overpressures (0.27–0.66 MPa) from the Bowen’s lung iso-damage threshold curves were used to simulate blast insults. Effectiveness of the helmet with respect to head orientation was also investigated. The resulting biomechanical responses of the brain to blast threats were compared for human head with and without the helmet. For all Bowen’s cases, the peak intracranial pressures (ICP) in the head ranged from 0.68 to 1.8 MPa in the coup cortical region. ACH was found to mitigate ICP in the head by 10–35%. Helmeted head resulted in 30% lower average peak brain strains and product of strain and strain rate. Among three blast loading directions with ACH, highest reduction in peak ICP (44%) was due to backward blasts whereas the lowest reduction in peak ICP and brain strains was due to forward blast (27%). The biomechanical responses of a human head to primary blast insult exhibited directional sensitivity owing to the different geometry contours and coverage of the helmet construction and asymmetric anatomy of the head. Thus, direction-specific tolerances are needed in helmet design in order to offer omni-directional protection for the human head. The blasts of varying peak overpressures and durations that are believed to produce the same level of lung injury produce different levels of mechanical responses in the brain, and hence “iso-damage” curves for brain injury are likely different than the Bowen curves for lung injury. PMID:23935591
NASA Technical Reports Server (NTRS)
Putnam, J. B.; Unataroiu, C. D.; Somers, J. T.
2014-01-01
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.
Comparison of reproduce signal and noise of conventional and keepered CoCrTa/Cr thin film media
NASA Astrophysics Data System (ADS)
Sin, Kyusik; Ding, Juren; Glijer, Pawel; Sivertsen, John M.; Judy, Jack H.; Zhu, Jian-Gang
1994-05-01
We studied keepered high coercivity CoCrTa/Cr thin film media with a Cr isolation layer between the CoCrTa storage and an overcoating of an isotropic NiFe soft magnetic layer. The influence of the thickness of the NiFe and Cr layers, and the effects of head bias current on the signal output and noise, were studied using a thin film head. The reproduced signal increased by 7.3 dB, but the signal-to-noise ratio decreased by 4 dB at a linear density of 2100 fr/mm (53.3 kfr/in.) with a 1000 Å thick NiFe keeper layer. The medium noise increased with increasing NiFe thickness and the signal output decreased with decreasing Cr thickness. A low output signal obtained with very thin Cr may be due to magnetic interactions between the keeper layer and magnetic media layer. It is observed that signal distortion and timing asymmetry of the output signals depend on the thickness of the keeper layer and the head bias current. The signal distortion increased and the timing asymmetry decreased as the head bias current was increased. These results may be associated with different permeability of the keeper under the poles of the thin film head due to the superposition of head bias and bit fields.
Auperrin, Audrey; Delille, Rémi; Lesueur, Denis; Bruyère, Karine; Masson, Catherine; Drazétic, Pascal
2014-03-21
The present study aims at providing quantitative data for the personalisation of geometrical and mechanical characteristics of the adult cranial bone to be applied to head FE models. A set of 351 cranial bone samples, harvested from 21 human skulls, were submitted to three-point bending tests at 10 mm/min. For each of them, an apparent elastic modulus was calculated using the beam's theory and a density-dependant beam inertia. Thicknesses, apparent densities and percentage of ash weight were also measured. Distributions of characteristics among the different skull bones show their symmetry and their significant differences between skull areas. A data analysis was performed to analyse potential relationship between thicknesses, densities and the apparent elastic modulus. A specific regression was pointed out to estimate apparent elastic modulus from the product of thickness by apparent density. These results offer quantitative tools in view of personalising head FE models and thus improve definition of local injury criteria for this body part. Copyright © 2014 Elsevier Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
Izzawati, B.; Daud, R.; Afendi, M.; Majid, M. S. Abdul; Zain, N. A. M.
2017-09-01
Finite element models have been widely used to quantify the stress analysis and to predict the bone fractures of the human body. The present study highlights on the stress analysis of the homogeneous structure of human femur bone during standing up condition. The main objective of this study is to evaluate and understand the biomechanics for human femur bone and to prepare orthotropic homogeneous material models used for FE analysis of the global proximal femur. Thus, it is necessary to investigate critical stress on the human femur bone for future study on implantation of internal fixator and external fixator. The implication possibility to create a valid FE model by simply comparing the FE results with the actual biomechanics structures. Thus, a convergence test was performed by FE model of the femur and the stress analysis based on the actual biomechanics of the human femur bone. An increment of critical stress shows in the femur shaft as the increasing of load on the femoral head and decreasing the pulling force at greater trochanter.
Alshareef, Ahmed; Giudice, J Sebastian; Forman, Jason; Salzar, Robert S; Panzer, Matthew B
2018-03-01
Traumatic brain injuries (TBI) are one of the least understood injuries to the body. Finite element (FE) models of the brain have been crucial for understanding concussion and for developing injury mitigation systems; however, the experimental brain deformation data currently used to validate these models are limited. The objective of this study was to develop a methodology for the investigation of in situ three-dimensional brain deformation during pure rotational loading of the head, using sonomicrometry. Sonomicrometry uses ultrasonic pulses to measure the dynamic distances between piezoelectric crystals implanted in any sound-transmitting media. A human cadaveric head-neck specimen was acquired 14 h postmortem and was instrumented with an array of 32 small sonomicrometry crystals embedded in the head: 24 crystals were implanted in the brain, and 8 were fixed to the inner skull. A dynamic rotation was then applied to the head using a closed-loop controlled test device. Four pulses with different severity levels were applied around three orthogonal anatomical axes of rotation. A repeated test of the highest severity rotation was conducted in each axis to assess repeatability. All tests were completed within 56 h postmortem. Overall, the combined experimental and sonomicrometry methods were demonstrated to reliably and repeatedly capture three-dimensional dynamic deformation of an intact human brain. These methods provide a framework for using sonomicrometry to acquire multidimensional experimental data required for FE model development and validation, and will lend insight into the deformations sustained by the brain during impact.
NASA Astrophysics Data System (ADS)
Lindén, J.; Lindberg, M.; Greggas, A.; Jylhävuori, N.; Norrgrann, H.; Lill, J. O.
2017-07-01
In addition to the main ingredients; sulfur, potassium chlorate and carbon, ordinary safety matches contain various dyes, glues etc, giving the head of the match an even texture and appealing color. Among the common reddish-brown matches there are several types, which after ignition can be attracted by a strong magnet. Before ignition the match head is generally not attracted by the magnet. An elemental analysis based on proton-induced x-ray emission was performed to single out iron as the element responsible for the observed magnetism. 57Fe Mössbauer spectroscopy was used for identifying the various types of iron-compounds, present before and after ignition, responsible for the macroscopic magnetism: Fe2O3 before and Fe3O4 after. The reaction was verified by mixing the main chemicals in the match-head with Fe2O3 in glue and mounting the mixture on a match stick. The ash residue after igniting the mixture was magnetic.
NASA Astrophysics Data System (ADS)
Ohmori, H.; Shoji, M.; Kobayashi, T.; Yamamoto, T.; Sugiyama, Y.; Hayashi, K.; Hono, K.
1996-04-01
The Hf-added FeRuGaSi alloy film has an amorphous structure in the as-deposited state and becomes nanocrystalline after annealing. Due to this structure change from crystalline to amorphous by the addition of Hf, soft magnetic degradation of the film deposited on the slant grooved substrate, which is necessary for the sophisticated embedded thin film (ETF) head structure, is greatly suppressed and the undesirable film stress is relieved. The FeRuGaSi-Hf alloy film has higher resistivity and permeability at high frequencies than those of sendust film, and the read/write characteristics of this alloy film show better performance than sendust film.
Car Accident Reconstruction and Head Injury Correlation
NASA Astrophysics Data System (ADS)
Chawla, A.; Grover, V.; Mukherjee, S.; Hassan, A. M.
2013-04-01
Estimation of brain damage remains an elusive issue and controlled tests leading to brain damage cannot be carried out on volunteers. This study reconstructs real-world car accidents to estimate the kinematics of the head impact. This data is to be used to estimate the head injury measures through computer simulations and then correlate reported skull as well as brain damage to impact measures; whence validating the head FE model (Willinger, IJCrash 8:605-617, 2003). In this study, two crash cases were reconstructed. Injury correlation was successful in one of these cases in that the injuries to the brain of one of the car drivers could be correlated in terms of type, location and severity when compared with the tolerance limits of relevant injury parameters (Willinger, IJCrash 8:605-617, 2003).
NASA Astrophysics Data System (ADS)
Kalitsov, Alan; Okatov, Sergey; Zarzhitsky, Pavel; Chshiev, Mairbek; Velev, Julian; Butler, William; Mryasov, Oleg
2014-03-01
The manipulations of domain wall (DW) in thin ferromagnetic layers by current and the spin-orbit coupling (SOC) have attracted significant interest. We report two band model calculations of the spin torque (ST) and the spin current (SC) at 5d/3d interfaces with head-to-head, Bloch and Neel DWs. These calculations are based on the non-equilibrium Green Function formalism and the tight binding Hamiltonian including the s-d exchange interactions and the Rashba SOC parameterized on the basis of ab-initio calculations for Fe/W, FeCo/Ta and Co/Pt interfaces. We find that SOC significantly modifies the ST and violates relations between the spin transfer torque and the divergence of the spin current. This work was supported in part by a Semiconductor Research Corporation program, sponsored by MARCO and DARPA.
NASA Astrophysics Data System (ADS)
Chang, You; Kim, Namkeun; Stenfelt, Stefan
2015-12-01
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.
NOL specular spin-valve heads using an ultrathin CoFe free layer
NASA Astrophysics Data System (ADS)
Fukuzawa, Hideaki; Koi, Katsuhiko; Tomita, Hiroshi; Fuke, Hiromi Niu; Kamiguchi, Yuzo; Iwasaki, Hitoshi; Sahashi, Masashi
2001-10-01
This paper reports the film and head performance of specular spin valves with nano-oxide layer (NOL-SPSV). A large MR ratio of 17% was obtained by using an ultrathin CoFe free layer with a high conductance Cu layer, which decreases the sense current field of a free layer and brings good soft magnetic characteristics. Prototype heads with a read track width of 0.47-0.61 μm were fabricated by using NOL-SPSV films with an MR ratio of 14-15%, Hua˜400 Oe, and Hc˜5 Oe. High output signal voltage of 8-11 mV/μm was realized in the NOL-SPSV heads.
Synthesis and characterization of Fe colloid catalysts in inverse micelle solutions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Martino, A.; Stoker, M.; Hicks, M.
1995-12-31
Surfactant molecules, possessing a hydrophilic head group and a hydrophobic tail group, aggregate in various solvents to form structured solutions. In two component mixtures of surfactant and organic solvents (e.g., toluene and alkanes), surfactants aggregate to form inverse micelles. Here, the hydrophilic head groups shield themselves by forming a polar core, and the hydrophobic tails groups are free to move about in the surrounding oleic phase. The formation of Fe clusters in inverse miscelles was studied.Iron salts are solubilized within the polar interior of inverse micelles, and the addition of the reducing agent LiBH{sub 4} initiates a chemical reduction tomore » produce monodisperse, nanometer sized Fe based particles. The reaction sequence is sustained by material exchange between inverse micelles. The surfactant interface provides a spatial constraint on the reaction volume, and reactions carried out in these micro-heterogeneous solutions produce colloidal sized particles (10-100{Angstrom}) stabilized in solution against flocculation of surfactant. The clusters were stabilized with respect to size with transmission electron microscopy (TEM) and with respect to chemical composition with Mossbauer spectroscopy, electron diffraction, and x-ray photoelectron spectroscopy (XPS). In addition, these iron based clusters were tested for catalytic activity in a model hydrogenolysis reaction. The hydrogenolysis of naphthyl bibenzyl methane was used as a model for coal pyrolysis.« less
Ring head recording on perpendicular media: Output spectra for CoCr and CoCr/NiFe media
NASA Astrophysics Data System (ADS)
Stubbs, D. P.; Whisler, J. W.; Moe, C. D.; Skorjanec, J.
1985-04-01
The recording density response for sputtered CoCr (thickness=0.5 μm) and CoCr/NiFe (t=0.25 μm/0.5 μm) as well as evaporated CoNi (t=0.12 μm) and Co surface-doped iron oxide particulate media has been measured by reading and writing with Mn-Zn ferrite heads (gap length=0.375 μm, track width=37 μm) in contact with the media. Measurements to 200 kfc/i (thousand flux changes per inch) show a gap null around 115 kfc/i. The data have been normalized by dividing out the head sensitivity to obtain the value of spacing plus transition width (d+a) for the various media. For the CoCr media this value varied from 0.075-0.088 μm; for CoNi, 0.100 μm, and for the particulate medium, 0.163 μm. In addition, testing with a larger gapped Mn-Zn ferrite head (g=2.43 μm) shows that the head fields are distorted by the soft magnetic underlayer in dual layer CoCr/NiFe samples when the gap length is large compared to the distance to the underlayer.
Kitagawa, Yuichi; Yasuki, Tsuyoshi; Hasegawa, Junji
2006-11-01
Many efforts have been made to understand the mechanism of whiplash injury. Recently, the cervical facet joint capsules have been focused on as a potential site of injury. An experimental approach has been taken to analyze the vertebral motion and to estimate joint capsule stretch that was thought to be a potential cause of pain. The purpose of this study is to analyze the kinematics of the cervical facet joint using a human FE model in order to better understand the injury mechanism. The Total Human Model for Safety (THUMS) was used to visually analyze the local and global kinematics of the spine. Soft tissues in the neck were newly modeled and introduced into THUMS for estimating the loading level in rear impacts. The model was first validated against human test data in the literature by comparing vertebrae motion as well as head and neck responses. Joint capsule strain was estimated from a maximum principal strain output from the elements representing the capsule tissues. A rear-end collision was then simulated using THUMS and a prototype seat model, assuming a delta-V of 25 km/h. The trajectory of the vertebrae was analyzed in a local coordinate system defined along the joint surface. Strain growth in the joint capsules was explained, as related to contact events between the occupant and the seat. A new seat concept was proposed to help lessen the loading level to the neck soft tissues. The foam material of the seat back was softened, the initial gap behind the head was reduced and the head restraint was stiffened for firm support. The lower seat back frame was also reinforced to withstand the impact severity at the given delta-V. Another rear impact simulation was conducted using the new seat concept model to examine the effectiveness of the new concept. The joint capsule strain was found to be relatively lower with the new seat concept. The study also discusses the influence of seat parameters to the vertebral motion and the resultant strain in the joint capsules. The meaning of the contact timing of the head to the head restraint was examined based on the results in terms of correlation with injury indicators such as NIC and the joint capsule strain.
Finite Element Analysis of the Effects of Head-Supported Mass on Neck Responses
2006-09-01
supine spine lordosis . To get the correct interaction between the muscles each muscle has to be positioned manually for an upright lordosis . This task...relative to the FE KTH neck model [Brolin et al. 2005] in line with anatomical data from the literature and adjusted to a normal lordosis of a sitting
Osth, Jonas; Brolin, Karin; Bråse, Dan
2015-01-01
The aim of this work is to study driver and passenger kinematics in autonomous braking scenarios, with and without pretensioned seat belts, using a whole-body finite element (FE) human body model (HBM) with active muscles. Upper extremity musculature for elbow and shoulder flexion-extension feedback control was added to an HBM that was previously complemented with feedback controlled muscles for the trunk and neck. Controller gains were found using a radial basis function metamodel sampled by making 144 simulations of an 8 ms(-2) volunteer sled test. The HBM kinematics, interaction forces, and muscle activations were validated using a second volunteer data set for the passenger and driver positions, with and without 170 N seat belt pretension, in 11 ms(-2) autonomous braking deceleration. The HBM was then used for a parameter study in which seat belt pretension force and timing were varied from 170 to 570 N and from 0.25 s before to 0.15 s after deceleration onset, in an 11 ms(-2) autonomous braking scenario. The model validation showed that the forward displacements and interaction forces of the HBM correlated with those of corresponding volunteer tests. Muscle activations and head rotation angles were overestimated in the HBM when compared with volunteer data. With a standard seat belt in 11 ms(-2) autonomous braking interventions, the HBM exhibited peak forward head displacements of 153 and 232 mm for the driver and passenger positions. When 570 N seat belt pretension was applied 0.15 s before deceleration onset, a reduction of peak head displacements to 60 and 75 mm was predicted. Driver and passenger responses to autonomous braking with standard and pretensioned restraints were successfully modeled in a whole-body FE HBM with feedback controlled active muscles. Variations of belt pretension force level and timing revealed that belt pretension 0.15 s before deceleration onset had the largest effect in reducing forward head and torso movement caused by the autonomous brake intervention. The displacement of the head relative to the torso for the HBM is quite constant for all variations in timing and belt force; it is the reduced torso displacements that lead to reduced forward head displacements.
ERIC Educational Resources Information Center
Parkes, David, Ed.
In this occasional paper, seven persons--a further education (FE) officer, two principals, the head of a specialist youth training unit, a plumbing teacher, a head of division of alternative education, and a Further Education Staff College (Coombe Lodge) tutor--give their views of the changes in further education in England during the past decade.…
Estimation of Local Bone Loads for the Volume of Interest.
Kim, Jung Jin; Kim, Youkyung; Jang, In Gwun
2016-07-01
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.
Probabilistic Modeling of Intracranial Pressure Effects on Optic Nerve Biomechanics
NASA Technical Reports Server (NTRS)
Ethier, C. R.; Feola, Andrew J.; Raykin, Julia; Myers, Jerry G.; Nelson, Emily S.; Samuels, Brian C.
2016-01-01
Altered intracranial pressure (ICP) is involved/implicated in several ocular conditions: papilledema, glaucoma and Visual Impairment and Intracranial Pressure (VIIP) syndrome. The biomechanical effects of altered ICP on optic nerve head (ONH) tissues in these conditions are uncertain but likely important. We have quantified ICP-induced deformations of ONH tissues, using finite element (FE) and probabilistic modeling (Latin Hypercube Simulations (LHS)) to consider a range of tissue properties and relevant pressures.
Modeling microstructure of incudostapedial joint and the effect on cochlear input
NASA Astrophysics Data System (ADS)
Gan, Rong Z.; Wang, Xuelin
2015-12-01
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.
Finite Element Modeling Techniques for Analysis of VIIP
NASA Technical Reports Server (NTRS)
Feola, Andrew J.; Raykin, J.; Gleason, R.; Mulugeta, Lealem; Myers, Jerry G.; Nelson, Emily S.; Samuels, Brian C.; Ethier, C. Ross
2015-01-01
Visual Impairment and Intracranial Pressure (VIIP) syndrome is a major health concern for long-duration space missions. Currently, it is thought that a cephalad fluid shift in microgravity causes elevated intracranial pressure (ICP) that is transmitted along the optic nerve sheath (ONS). We hypothesize that this in turn leads to alteration and remodeling of connective tissue in the posterior eye which impacts vision. Finite element (FE) analysis is a powerful tool for examining the effects of mechanical loads in complex geometries. Our goal is to build a FE analysis framework to understand the response of the lamina cribrosa and optic nerve head to elevations in ICP in VIIP.
Atomistic modeling of L10 FePt: path to HAMR 5Tb/in2
NASA Astrophysics Data System (ADS)
Chen, Tianran; Benakli, Mourad; Rea, Chris
2015-03-01
Heat assisted magnetic recording (HAMR) is a promising approach for increasing the storage density of hard disk drives. To increase data density, information must be written in small grains, which requires materials with high anisotropy energy such as L10 FePt. On the other hand, high anisotropy implies high coercivity, making it difficult to write the data with existing recording heads. This issue can be overcome by the technique of HAMR, where a laser is used to heat the recording medium to reduce its coercivity while retaining good thermal stability at room temperature due to the large anisotropy energy. One of the keys to the success of HAMR is the precise control of writing process. In this talk, I will propose a Monte Carlo simulation, based on an atomistic model, that would allow us to study the magnetic properties of L10 FePt and dynamics of spin reversal for the writing process in HAMR.
Continuous-wave EPR at 275 GHz: Application to high-spin Fe 3+ systems
NASA Astrophysics Data System (ADS)
Mathies, G.; Blok, H.; Disselhorst, J. A. J. M.; Gast, P.; van der Meer, H.; Miedema, D. M.; Almeida, R. M.; Moura, J. J. G.; Hagen, W. R.; Groenen, E. J. J.
2011-05-01
The 275 GHz electron-paramagnetic-resonance spectrometer we reported on in 2004 has been equipped with a new probe head, which contains a cavity especially designed for operation in continuous-wave mode. The sensitivity and signal stability that is achieved with this new probe head is illustrated with 275 GHz continuous-wave spectra of a 1 mM frozen solution of the complex Fe(III)-ethylenediamine tetra-acetic acid and of 10 mM frozen solutions of the protein rubredoxin, which contains Fe 3+ in its active site, from three different organisms. The high quality of the spectra of the rubredoxins allows the determination of the zero-field-splitting parameters with an accuracy of 0.5 GHz. The success of our approach results partially from the enhanced absolute sensitivity, which can be reached using a single-mode cavity. At least as important is the signal stability that we were able to achieve with the new probe head.
NASA Astrophysics Data System (ADS)
Veyette, Mark J.; Muirhead, Philip S.; Mann, Andrew W.; Brewer, John M.; Allard, France; Homeier, Derek
2017-12-01
The ability to perform detailed chemical analysis of Sun-like F-, G-, and K-type stars is a powerful tool with many applications, including studying the chemical evolution of the Galaxy and constraining planet formation theories. Unfortunately, complications in modeling cooler stellar atmospheres hinders similar analyses of M dwarf stars. Empirically calibrated methods to measure M dwarf metallicity from moderate-resolution spectra are currently limited to measuring overall metallicity and rely on astrophysical abundance correlations in stellar populations. We present a new, empirical calibration of synthetic M dwarf spectra that can be used to infer effective temperature, Fe abundance, and Ti abundance. We obtained high-resolution (R ˜ 25,000), Y-band (˜1 μm) spectra of 29 M dwarfs with NIRSPEC on Keck II. Using the PHOENIX stellar atmosphere modeling code (version 15.5), we generated a grid of synthetic spectra covering a range of temperatures, metallicities, and alpha-enhancements. From our observed and synthetic spectra, we measured the equivalent widths of multiple Fe I and Ti I lines and a temperature-sensitive index based on the FeH band head. We used abundances measured from widely separated solar-type companions to empirically calibrate transformations to the observed indices and equivalent widths that force agreement with the models. Our calibration achieves precisions in T eff, [Fe/H], and [Ti/Fe] of 60 K, 0.1 dex, and 0.05 dex, respectively, and is calibrated for 3200 K < T eff < 4100 K, -0.7 < [Fe/H] < +0.3, and -0.05 < [Ti/Fe] < +0.3. This work is a step toward detailed chemical analysis of M dwarfs at a precision similar to what has been achieved for FGK stars.
Sarewicz, Marcin; Dutka, Małgorzata; Pietras, Rafał; Borek, Arkadiusz; Osyczka, Artur
2015-10-14
Here, comparative electron spin-lattice relaxation studies of the 2Fe-2S iron-sulphur (Fe-S) cluster embedded in a large membrane protein complex - cytochrome bc1 - are reported. Structural modifications of the local environment alone (mutations S158A and Y160W removing specific H bonds between Fe-S and amino acid side chains) or in combination with changes in global protein conformation (mutations/inhibitors changing the position of the Fe-S binding domain within the protein complex) resulted in different redox potentials as well as g-, g-strain and the relaxation rates (T1(-1)) for the Fe-S cluster. The relaxation rates for T < 25 K were measured directly by inversion recovery, while for T > 60 K they were deduced from simulation of continuous wave EPR spectra of the cluster using a model that included anisotropy of Lorentzian broadening. In all cases, the relaxation rate involved contributions from direct, second-order Raman and Orbach processes, each dominating over different temperature ranges. The analysis of T1(-1) (T) over the range 5-120 K yielded the values of the Orbach energy (EOrb), Debye temperature θD and Raman process efficiency CRam for each variant of the protein. As the Orbach energy was generally higher for mutants S158A and Y160W, compared to wild-type protein (WT), it is suggested that H bond removal influences the geometry leading to increased strength of antiferromagnetic coupling between two Fe ions of the cluster. While θD was similar for all variants (∼107 K), the efficiency of the Raman process generally depends on the spin-orbit coupling that is lower for S158A and Y160W mutants, when compared to the WT. However, in several cases CRam did not only correlate with spin-orbit coupling but was also influenced by other factors - possibly the modification of protein rigidity and therefore the vibrational modes around the Fe-S cluster that change upon the movement of the iron-sulphur head domain.
Investigation of tDCS volume conduction effects in a highly realistic head model
NASA Astrophysics Data System (ADS)
Wagner, S.; Rampersad, S. M.; Aydin, Ü.; Vorwerk, J.; Oostendorp, T. F.; Neuling, T.; Herrmann, C. S.; Stegeman, D. F.; Wolters, C. H.
2014-02-01
Objective. We investigate volume conduction effects in transcranial direct current stimulation (tDCS) and present a guideline for efficient and yet accurate volume conductor modeling in tDCS using our newly-developed finite element (FE) approach. Approach. We developed a new, accurate and fast isoparametric FE approach for high-resolution geometry-adapted hexahedral meshes and tissue anisotropy. To attain a deeper insight into tDCS, we performed computer simulations, starting with a homogenized three-compartment head model and extending this step by step to a six-compartment anisotropic model. Main results. We are able to demonstrate important tDCS effects. First, we find channeling effects of the skin, the skull spongiosa and the cerebrospinal fluid compartments. Second, current vectors tend to be oriented towards the closest higher conducting region. Third, anisotropic WM conductivity causes current flow in directions more parallel to the WM fiber tracts. Fourth, the highest cortical current magnitudes are not only found close to the stimulation sites. Fifth, the median brain current density decreases with increasing distance from the electrodes. Significance. Our results allow us to formulate a guideline for volume conductor modeling in tDCS. We recommend to accurately model the major tissues between the stimulating electrodes and the target areas, while for efficient yet accurate modeling, an exact representation of other tissues is less important. Because for the low-frequency regime in electrophysiology the quasi-static approach is justified, our results should also be valid for at least low-frequency (e.g., below 100 Hz) transcranial alternating current stimulation.
Zhang, Liying; Gurao, Manish; Yang, King H.; King, Albert I.
2011-01-01
Computer models of the head can be used to simulate the events associated with traumatic brain injury (TBI) and quantify biomechanical response within the brain. Marmarou’s impact acceleration rodent model is a widely used experimental model of TBI mirroring axonal pathology in humans. The mechanical properties of the low density polyurethane (PU) foam, an essential piece of energy management used in Marmarou’s impact device, has not been fully characterized. The foam used in Marmarou’s device was tested at seven strain rates ranging from quasi-static to dynamic (0.014 ~ 42.86 s−1) to quantify the stress-strain relationships in compression. Recovery rate of the foam after cyclic compression was also determined through the periods of recovery up to three weeks. The experimentally determined stress-strain curves were incorporated into a material model in an explicit Finite Element (FE) solver to validate the strain rate dependency of the FE foam model. Compression test results have shown that the foam used in the rodent impact acceleration model is strain rate dependent. The foam has been found to be reusable for multiple impacts. However the stress resistance of used foam is reduced to 70% of the new foam. The FU_CHANG_FOAM material model in an FE solver has been found to be adequate to simulate this rate sensitive foam. PMID:21459114
Zhang, Liying; Gurao, Manish; Yang, King H; King, Albert I
2011-05-15
Computer models of the head can be used to simulate the events associated with traumatic brain injury (TBI) and quantify biomechanical response within the brain. Marmarou's impact acceleration rodent model is a widely used experimental model of TBI mirroring axonal pathology in humans. The mechanical properties of the low density polyurethane (PU) foam, an essential piece of energy management used in Marmarou's impact device, has not been fully characterized. The foam used in Marmarou's device was tested at seven strain rates ranging from quasi-static to dynamic (0.014-42.86 s⁻¹) to quantify the stress-strain relationships in compression. Recovery rate of the foam after cyclic compression was also determined through the periods of recovery up to three weeks. The experimentally determined stress-strain curves were incorporated into a material model in an explicit Finite Element (FE) solver to validate the strain rate dependency of the FE foam model. Compression test results have shown that the foam used in the rodent impact acceleration model is strain rate dependent. The foam has been found to be reusable for multiple impacts. However the stress resistance of used foam is reduced to 70% of the new foam. The FU_CHANG_FOAM material model in an FE solver has been found to be adequate to simulate this rate sensitive foam. Copyright © 2011 Elsevier B.V. All rights reserved.
Spin-filter spin valves with nano-oxide layers for high density recording heads
NASA Astrophysics Data System (ADS)
Al-Jibouri, Abdul; Hoban, M.; Lu, Z.; Pan, G.
2002-05-01
A new spin-filter spin valve with nano-oxide specular layers with structure of Ta/NiFe/IrMn/CoFe/NOL1/CoFe/Cu/CoFetfl/CutCu/NOL2/Ta was deposited using a Nordiko 9606 physical vapor deposition system. The data clearly show that the magnetoresistive (MR) ratio has been significantly improved for spin valves with thinner free layers. The MR ratio remains larger than 12% even when the CoFe free layer is as thin as 1 nm. An optimized MR ratio of ˜15% was obtained when tfl was about 1.2 nm and tCu about 1.5 nm, and was a result of the balance between the increase in the electron mean free path difference and current shunting through the conducting layer. It is also found that the Cu enhancing layer can improve soft magnetic properties of the CoFe free layer due to the low atomic intermixing observed between Co and Cu. The CoFe free layer of 1-4 nm exhibited coercivity of ˜3 Oe after annealing in a static magnetic field. This kind of spin valve with a very thin soft CoFe free layer is particularly attractive for ultra high density read head applications.
An Applet to Estimate the IOP-Induced Stress and Strain within the Optic Nerve Head
2011-01-01
Purpose. The ability to predict the biomechanical response of the optic nerve head (ONH) to intraocular pressure (IOP) elevation holds great promise, yet remains elusive. The objective of this work was to introduce an approach to model ONH biomechanics that combines the ease of use and speed of analytical models with the flexibility and power of numerical models. Methods. Models representing a variety of ONHs were produced, and finite element (FE) techniques used to predict the stresses (forces) and strains (relative deformations) induced on each of the models by IOP elevations (up to 10 mm Hg). Multivariate regression was used to parameterize each biomechanical response as an analytical function. These functions were encoded into a Flash-based applet. Applet utility was demonstrated by investigating hypotheses concerning ONH biomechanics posited in the literature. Results. All responses were parameterized well by polynomials (R2 values between 0.985 and 0.999), demonstrating the effectiveness of our fitting approach. Previously published univariate results were reproduced with the applet in seconds. A few minutes allowed for multivariate analysis, with which it was predicted that often, but not always, larger eyes experience higher levels of stress and strain than smaller ones, even at the same IOP. Conclusions. An applet has been presented with which it is simple to make rapid estimates of IOP-related ONH biomechanics. The applet represents a step toward bringing the power of FE modeling beyond the specialized laboratory and can thus help develop more refined biomechanics-based hypotheses. The applet is available for use at www.ocularbiomechanics.com. PMID:21527378
Parameter study for child injury mitigation in near-side impacts through FE simulations.
Andersson, Marianne; Pipkorn, Bengt; Lövsund, Per
2012-01-01
The objective of this study is to investigate the effects of crash-related car parameters on head and chest injury measures for 3- and 12-year-old children in near-side impacts. The evaluation was made using a model of a complete passenger car that was impacted laterally by a barrier. The car model was validated in 2 crash conditions: the Insurance Institute for Highway Safety (IIHS) and the US New Car Assessment Program (NCAP) side impact tests. The Small Side Impact Dummy (SID-IIs) and the human body model 3 (HBM3) (Total HUman Model for Safety [THUMS] 3-year-old) finite element models were used for the parametric investigation (HBM3 on a booster). The car parameters were as follows: vehicle mass, side impact structure stiffness, a head air bag, a thorax-pelvis air bag, and a seat belt with pretensioner. The studied dependent variables were as follows: resultant head linear acceleration, resultant head rotational acceleration, chest viscous criterion, rib deflection, and relative velocity at head impact. The chest measurements were only considered for the SID-IIs. The head air bag had the greatest effect on the head measurements for both of the occupant models. On average, it reduced the peak head linear acceleration by 54 g for the HBM3 and 78 g for the SID-IIs. The seat belt had the second greatest effect on the head measurements; the peak head linear accelerations were reduced on average by 39 g (HBM3) and 44 g (SID-IIs). The high stiffness side structure increased the SID-IIs' head acceleration, whereas it had marginal effect on the HBM3. The vehicle mass had a marginal effect on SID-IIs' head accelerations, whereas the lower vehicle mass caused 18 g higher head acceleration for HBM3 and the greatest rotational acceleration. The thorax-pelvis air bag, vehicle mass, and seat belt pretensioner affected the chest measurements the most. The presence of a thorax-pelvis air bag, high vehicle mass, and a seat belt pretensioner all reduced the chest viscous criterion (VC) and peak rib deflection in the SID-IIs. The head and thorax-pelvis air bags have the potential to reduce injury measurements for both the SID-IIs and the HBM3, provided that the air bag properties are designed to consider these occupant sizes also. The seat belt pretensioner is also effective, provided that the lateral translation of the torso is managed by other features. The importance of lateral movement management is greater the smaller the occupant is. Light vehicles require interior restraint systems of higher performance than heavy vehicles do to achieve the same level of injury measures for a given side structure. Copyright © 2012 Taylor & Francis Group, LLC
Finite element modeling of human brain response to football helmet impacts.
Darling, T; Muthuswamy, J; Rajan, S D
2016-10-01
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.
Hong, Chi Rac; Park, Sung Joon; Choi, Seung Jun
2016-07-01
Surfactant-made micelles can control the rate of chemical degradation of poorly water-soluble food flavors. To evaluate how the molecular structure of surfactant has an influence on the chemical decomposition rate of citral, micelles were prepared with polyoxyethylene alkyl ether-type surfactants that had similar molecular structures but various hydrophilic head sizes and hydrophobic tail lengths. At a critical 20× micelle concentration of surfactant, there was no significant difference in the chemical degradation rate of citral in micelles in neutral pH, regardless of the hydrophilic head size or hydrophobic tail length. In an acidic environment, the degradation rate constant of citral generally increased proportionally with increasing hydrophilic head size of surfactant (0.1563 and 0.2217 for surfactants with 23 and 100 oxyethylene units, respectively) but the length of hydrophobic tail did not affect the citral stability. Also, little difference (0.2217 and 0.2265 for surfactant having 100 oxyethylene units with and without Fe(3+) ) in degradation rate constant of citral between simple micellar solution and micellar solution containing iron suggested that iron ions could not accelerate citral degradation in micelles, regardless of the form of iron (Fe(2+) and Fe(3+) ). This work concludes that although the concentration of surfactant could be relevant, if its concentration could be controlled in the same manner as the critical micelle concentration, then a polyethylene alkyl ether-type surfactant with a small hydrophilic head could more efficiently stabilize citral at an acidic pH. © 2015 Society of Chemical Industry. © 2015 Society of Chemical Industry.
X-ray Magnetic Linear Dichroism of Fe-Ni Alloys on Cu(111)
2001-04-01
the study of magnetism and magnetic materials. This control allows for the study of the relationship between magnetic and structural properties for...effect in NiFe /Cu systems that are relevant to magnetic disk drive heads. Using core-level photoelectron spectroscopies on magnetized samples allows
Salmingo, Remel Alingalan; Skytte, Tina Lercke; Traberg, Marie Sand; Mikkelsen, Lars Pilgaard; Henneberg, Kaj-Åge; Wong, Christian
2017-01-01
Perthes' disease is a destructive hip joint disorder characterized by malformation of the femoral head in young children. While the morphological changes have been widely studied, the biomechanical effects of these changes still need to be further elucidated. The objective of this study was to develop a method to investigate the biomechanical alterations in Perthes' disease by finite element (FE) contact modeling using MRI. The MRI data of a unilateral Perthes' case was obtained to develop the three-dimensional FE model of the hip joint. The stress and contact pressure patterns in the unaffected hip were well distributed. Elevated concentrations of stress and contact pressure were found in the Perthes' hip. The highest femoral cartilage von Mises stress 3.9 MPa and contact pressure 5.3 MPa were found in the Perthes' hip, whereas 2.4 MPa and 4.9 MPa in the healthy hip, respectively. The healthy bone in the femoral head of the Perthes' hip carries additional loads as indicated by the increase of stress levels around the necrotic-healthy bone interface. Identifying the biomechanical changes, such as the location of stress and contact pressure concentrations, is a prerequisite for the preoperative planning to obtain stress relief for the highly stressed areas in the malformed hip. This single-patient study demonstrated that the biomechanical alterations in Perthes' disease can be evaluated individually by patient-specific finite element contact modeling using MRI. A multi-patient study is required to test the strength of the proposed method as a pre-surgery planning tool.
Zhu, Feng; Wagner, Christina; Dal Cengio Leonardi, Alessandra; Jin, Xin; Vandevord, Pamela; Chou, Clifford; Yang, King H; King, Albert I
2012-03-01
A combined experimental and numerical study was conducted to determine a method to elucidate the biomechanical response of a head surrogate physical model under air shock loading. In the physical experiments, a gel-filled egg-shaped skull/brain surrogate was exposed to blast overpressure in a shock tube environment, and static pressures within the shock tube and the surrogate were recorded throughout the event. A numerical model of the shock tube was developed using the Eulerian approach and validated against experimental data. An arbitrary Lagrangian-Eulerian (ALE) fluid-structure coupling algorithm was then utilized to simulate the interaction of the shock wave and the head surrogate. After model validation, a comprehensive series of parametric studies was carried out on the egg-shaped surrogate FE model to assess the effect of several key factors, such as the elastic modulus of the shell, bulk modulus of the core, head orientation, and internal sensor location, on pressure and strain responses. Results indicate that increasing the elastic modulus of the shell within the range simulated in this study led to considerable rise of the overpressures. Varying the bulk modulus of the core from 0.5 to 2.0 GPa, the overpressure had an increase of 7.2%. The curvature of the surface facing the shock wave significantly affected both the peak positive and negative pressures. Simulations of the head surrogate with the blunt end facing the advancing shock front had a higher pressure compared to the simulations with the pointed end facing the shock front. The influence of an opening (possibly mimicking anatomical apertures) on the peak pressures was evaluated using a surrogate head with a hole on the shell of the blunt end. It was revealed that the presence of the opening had little influence on the positive pressures but could affect the negative pressure evidently.
Kim, Yong Sun; Choi, Hyeong Ho; Cho, Young Nam; Park, Yong Jae; Lee, Jong B; Yang, King H; King, Albert I
2005-11-01
Although biomechanical studies on the knee-thigh-hip (KTH) complex have been extensive, interactions between the KTH and various vehicular interior design parameters in frontal automotive crashes for newer models have not been reported in the open literature to the best of our knowledge. A 3D finite element (FE) model of a 50(th) percentile male KTH complex, which includes explicit representations of the iliac wing, acetabulum, pubic rami, sacrum, articular cartilage, femoral head, femoral neck, femoral condyles, patella, and patella tendon, has been developed to simulate injuries such as fracture of the patella, femoral neck, acetabulum, and pubic rami of the KTH complex. Model results compared favorably against regional component test data including a three-point bending test of the femur, axial loading of the isolated knee-patella, axial loading of the KTH complex, axial loading of the femoral head, and lateral loading of the isolated pelvis. The model was further integrated into a Wayne State University upper torso model and validated against data obtained from whole body sled tests. The model was validated against these experimental data over a range of impact speeds, impactor masses and boundary conditions. Using Design Of Experiment (DOE) methods based on Taguchi's approach and the developed FE model of the whole body, including the KTH complex, eight vehicular interior design parameters, namely the load limiter force, seat belt elongation, pretensioner inlet amount, knee-knee bolster distance, knee bolster angle, knee bolster stiffness, toe board angle and impact speed, each with either two or three design levels, were simulated to predict their respective effects on the potential of KTH injury in frontal impacts. Simulation results proposed best design levels for vehicular interior design parameters to reduce the injury potential of the KTH complex due to frontal automotive crashes. This study is limited by the fact that prediction of bony fracture was based on an element elimination method available in the LS-DYNA code. No validation study was conducted to determine if this method is suitable when simulating fractures of biological tissues. More work is still needed to further validate the FE model of the KTH complex to increase its reliability in the assessment of various impact loading conditions associated with vehicular crash scenarios.
Geohydrology and simulation of ground-water flow near Los Alamos, north-central New Mexico
Frenzel, P.F.
1995-01-01
An existing model was modified in recognition of new geohydrologic interpretations and adjusted to simulate hydrographs in well fields in the Los Alamos area. Hydraulic-head drawdowns at the Buckman well field resulting from two projected ground-water-withdrawal alternatives were estimated with the modified model. The Chaquehui formation (informal usage) is the main new feature of recent hydrologic interpretations for the Los Alamos area. The Chaquehui occupies a 'channel' that was eroded or faulted into the Tesuque Formation, and the Chaquehui is more permeable than the Tesuque. The Chaquehui is a major producing zone in the Pajarito Mesa well field and to a lesser extent in the Guaje well field. Model modification included splitting the four layers of the McAda-Wasiolek model (McAda, D.P., and Wasiolek, Maryann, 1988, Simulation of the regional geohydrology of the Tesuque aquifer system near Santa Fe, New Mexico: U.S. Geological Survey Water- Resources Investigations Report 87-4056, 71 p.) into eight layers to better simulate vertical ground-water movement. Other model modifications were limited as much as possible to the area of interest near Los Alamos and consisted mainly of adjusting hydraulic-conductivity values representing the Tesuque Formation, Chaquehui formation (informal usage), and Puye Formation, and adjusting simulated recharge along the Pajarito Fault Zone west of Los Alamos. Adjustments were based mainly on simulation of fluctuations in measured hydraulic heads near Los Alamos. Two possible alternative plans for replacing Guaje well field production were suggested by Los Alamos National Laboratory. In the first plan (Guaje alternative), the Guaje field would be renewed with four new wells replacing the existing production wells in the Guaje field. In the second plan (Pajarito-Otowi alternative), the Guaje well field would be retired and its former production would be made up by additional withdrawals from the Pajarito Mesa and Otowi well fields. A projection for each of these alternatives was made through 2012 using the new eight- layer model. In the Guaje field, projected hydraulic heads at the end of 2012 were as much as 50 feet lower with the Guaje alternative; in the Pajarito Mesa field, hydraulic heads were as much as 12 feet higher with the Guaje alternative. At the western end of the Los Alamos well field, projected hydraulic heads were about 20 feet higher with the Guaje alternative; at the eastern end of the Los Alamos field, the difference between alternatives was much less. At the Buckman field, projected hydraulic heads were about 2 feet higher with the Guaje alternative because the Buckman field is closer to the Pajarito Mesa field than to the Guaje field. Ways of improving the understanding of the flow system include developing a more accurate representation of the structure and extent of the Tesuque Formation, Chaquehui formation, and Puye Formation of the Santa Fe Group and obtaining more detailed geologic and hydrologic data for the Chaquehui and Puye. Data that describe water chemistry, hydraulic head, and degree of saturation would be valuable for determining the location and quantity of recharge on the Pajarito Plateau, especially along the west side of the Plateau and in canyon bottoms. Chloride concentrations in soil at the top of the Bandelier Tuff could be used to verify the concept that evapotranspiration accounts for nearly all precipitation over a large area of the plateau.
Six Degree-of-Freedom Measurements of Human Mild Traumatic Brain Injury.
Hernandez, Fidel; Wu, Lyndia C; Yip, Michael C; Laksari, Kaveh; Hoffman, Andrew R; Lopez, Jaime R; Grant, Gerald A; Kleiven, Svein; Camarillo, David B
2015-08-01
This preliminary study investigated whether direct measurement of head rotation improves prediction of mild traumatic brain injury (mTBI). Although many studies have implicated rotation as a primary cause of mTBI, regulatory safety standards use 3 degree-of-freedom (3DOF) translation-only kinematic criteria to predict injury. Direct 6DOF measurements of human head rotation (3DOF) and translation (3DOF) have not been previously available to examine whether additional DOFs improve injury prediction. We measured head impacts in American football, boxing, and mixed martial arts using 6DOF instrumented mouthguards, and predicted clinician-diagnosed injury using 12 existing kinematic criteria and 6 existing brain finite element (FE) criteria. Among 513 measured impacts were the first two 6DOF measurements of clinically diagnosed mTBI. For this dataset, 6DOF criteria were the most predictive of injury, more than 3DOF translation-only and 3DOF rotation-only criteria. Peak principal strain in the corpus callosum, a 6DOF FE criteria, was the strongest predictor, followed by two criteria that included rotation measurements, peak rotational acceleration magnitude and Head Impact Power (HIP). These results suggest head rotation measurements may improve injury prediction. However, more 6DOF data is needed to confirm this evaluation of existing injury criteria, and to develop new criteria that considers directional sensitivity to injury.
Excitations of interface pinned domain walls in constrained geometries
NASA Astrophysics Data System (ADS)
Martins, S. M. S. B.; Oliveira, L. L.; Rebouças, G. O. G.; Dantas, Ana L.; Carriço, A. S.
2018-05-01
We report a theoretical investigation of the equilibrium pattern and the spectra of head-to-head and Neel domain walls of flat Fe and Py stripes, exchange coupled with a vicinal antiferromagnetic substrate. We show that the domain wall excitation spectrum is tunable by the strength of the interface field. Furthermore, strong interface coupling favors localized wall excitations.
Tse, Kwong Ming; Tan, Long Bin; Yang, Bin; Tan, Vincent Beng Chye; Lee, Heow Pueh
2017-04-01
The current study aims to investigate the effectiveness of two different designs of helmet interior cushion, (Helmet 1: strap-netting; Helmet 2: Oregon Aero foam-padding), and the effect of the impact directions on the helmeted head during ballistic impact. Series of ballistic impact simulations (frontal, lateral, rear, and top) of a full-metal-jacketed bullet were performed on a validated finite element head model equipped with the two helmets, to assess the severity of head injuries sustained in ballistic impacts using both head kinematics and biomechanical metrics. Benchmarking with experimental ventricular and intracranial pressures showed that there is good agreement between the simulations and experiments. In terms of extracranial injuries, top impact had the highest skull stress, still without fracturing the skull. In regard to intracranial injuries, both the lateral and rear impacts generally gave the highest principal strains as well as highest shear strains, which exceed the injury thresholds. Off-cushion impacts were found to be at higher risk of intracranial injuries. The study also showed that the Oregon Aero foam pads helped to reduce impact forces. It also suggested that more padding inserts of smaller size may offer better protection. This provides some insights on future's helmet design against ballistic threats.
Yarnitzky, G; Yizhar, Z; Gefen, A
2006-01-01
No technology is presently available to provide real-time information on internal deformations and stresses in plantar soft tissues of individuals during evaluation of the gait pattern. Because internal deformations and stresses in the plantar pad are critical factors in foot injuries such as diabetic foot ulceration, this severely limits evaluation of patients. To allow such real-time subject-specific analysis, we developed a hierarchal modeling system which integrates a two-dimensional gross structural model of the foot (high-order model) with local finite element (FE) models of the plantar tissue padding the calcaneus and medial metatarsal heads (low-order models). The high-order whole-foot model provides real-time analytical evaluations of the time-dependent plantar fascia tensile forces during the stance phase. These force evaluations are transferred, together with foot-shoe local reaction forces, also measured in real time (under the calcaneus, medial metatarsals and hallux), to the low-order FE models of the plantar pad, where they serve as boundary conditions for analyses of local deformations and stresses in the plantar pad. After careful verification of our custom-made FE solver and of our foot model system with respect to previous literature and against experimental results from a synthetic foot phantom, we conducted human studies in which plantar tissue loading was evaluated in real time during treadmill gait in healthy individuals (N = 4). We concluded that internal deformations and stresses in the plantar pad during gait cannot be predicted from merely measuring the foot-shoe force reactions. Internal loading of the plantar pad is constituted by a complex interaction between the anatomical structure and mechanical behavior of the foot skeleton and soft tissues, the body characteristics, the gait pattern and footwear. Real-time FE monitoring of internal deformations and stresses in the plantar pad is therefore required to identify elevated deformation/stress exposures toward utilizing it in gait laboratories to protect feet that are susceptible to injury.
Reactor pressure vessel head vents and methods of using the same
Gels, John L; Keck, David J; Deaver, Gerald A
2014-10-28
Internal head vents are usable in nuclear reactors and include piping inside of the reactor pressure vessel with a vent in the reactor upper head. Piping extends downward from the upper head and passes outside of the reactor to permit the gas to escape or be forcibly vented outside of the reactor without external piping on the upper head. The piping may include upper and lowers section that removably mate where the upper head joins to the reactor pressure vessel. The removable mating may include a compressible bellows and corresponding funnel. The piping is fabricated of nuclear-reactor-safe materials, including carbon steel, stainless steel, and/or a Ni--Cr--Fe alloy. Methods install an internal head vent in a nuclear reactor by securing piping to an internal surface of an upper head of the nuclear reactor and/or securing piping to an internal surface of a reactor pressure vessel.
Electromagnetic Sensor Arrays for Nondestructive Evaluation and Robot Control.
1985-10-31
flux change for its sensitivity. Instead, it measures the magnetic field itself by using the magnetoresistive effect in a thin film of permalloy ( NiFe ...inductive sensor arrays. Besides devices employing high-permeability magnetic films, this survey also included those based on magneto- resistance and the...Survey.......................7 1. Thin-Film Magnetic Head.................7 2. Thin-Film Magnetoresistive Head ............. 10 3. Summary and
Donaldson, Finn E; Nyman, Edward; Coburn, James C
2015-07-16
Manufacturers and investigators of Total Hip Replacement (THR) bearings require tools to predict the contact mechanics resulting from diverse design and loading parameters. This study provides contact mechanics solutions for metal-on-metal (MoM) bearings that encompass the current design space and could aid pre-clinical design optimization and evaluation. Stochastic finite element (FE) simulation was used to calculate the head-on-cup contact mechanics for five thousand combinations of design and loading parameters. FE results were used to train a Random Forest (RF) surrogate model to rapidly predict the contact patch dimensions, contact area, pressures and plastic deformations for arbitrary designs and loading. In addition to widely observed polar and edge contact, FE results included ring-polar, asymmetric-polar, and transitional categories which have previously received limited attention. Combinations of design and load parameters associated with each contact category were identified. Polar contact pressures were predicted in the range of 0-200 MPa with no permanent deformation. Edge loading (with subluxation) was associated with pressures greater than 500 MPa and induced permanent deformation in 83% of cases. Transitional-edge contact (with little subluxation) was associated with intermediate pressures and permanent deformation in most cases, indicating that, even with ideal anatomical alignment, bearings may face extreme wear challenges. Surrogate models were able to accurately predict contact mechanics 18,000 times faster than FE analyses. The developed surrogate models enable rapid prediction of MoM bearing contact mechanics across the most comprehensive range of loading and designs to date, and may be useful to those performing bearing design optimization or evaluation. Published by Elsevier Ltd.
The extent of mixing in stellar interiors: the open clusters Collinder 261 and Melotte 66
NASA Astrophysics Data System (ADS)
Drazdauskas, Arnas; Tautvaišienė, Gražina; Randich, Sofia; Bragaglia, Angela; Mikolaitis, Šarūnas; Janulis, Rimvydas
2016-05-01
Context. Determining carbon and nitrogen abundances in red giants provides useful diagnostics to test mixing processes in stellar atmospheres. Aims: Our main aim is to determine carbon-to-nitrogen and carbon isotope ratios for evolved giants in the open clusters Collinder 261 and Melotte 66 and to compare the results with predictions of theoretical models. Methods: High-resolution spectra were analysed using a differential model atmosphere method. Abundances of carbon were derived using the C2 Swan (0, 1) band head at 5635.5 Å. The wavelength interval 7940-8130 Å, which contains CN features, was analysed to determine nitrogen abundances and carbon isotope ratios. The oxygen abundances were determined from the [O I] line at 6300 Å. Results: The mean values of the elemental abundances in Collinder 261, as determined from seven stars, are: [ C/Fe ] = -0.23 ± 0.02 (s.d.), [ N/Fe ] = 0.18 ± 0.09, [ O/Fe ] = -0.03 ± 0.07. The mean 12C /13C ratio is 11 ± 2, considering four red clump stars and 18 for one star above the clump. The mean C/N ratios are 1.60 ± 0.30 and 1.74, respectively. For the five stars in Melotte 66 we obtained: [ C/Fe ] = -0.21 ± 0.07 (s.d.), [ N/Fe ] = 0.17 ± 0.07, [ O/Fe ] = 0.16 ± 0.04. The 12C /13C and C/N ratios are 8 ± 2 and 1.67 ± 0.21, respectively. Conclusions: The 12C /13C and C/N ratios of stars in the investigated open clusters were compared with the ratios predicted by stellar evolution models. The mean values of 12C /13C ratios in Collinder 261 and Melotte 66 agree well with models of thermohaline-induced extra-mixing for the corresponding stellar turn-off masses of about 1.1-1.2 M⊙. The mean C/N ratios are not decreased as much as predicted by the model in which the thermohaline- and rotation-induced extra-mixing act together. Based on observations collected at ESO telescopes under Guaranteed Time Observation programmes 071.D-0065, 072.D-0019, and 076.D-0220.
Sy, Charlotte; Dangles, Olivier; Borel, Patrick; Caris-Veyrat, Catherine
2015-04-15
Recently isolated spore-forming pigmented marine bacteria, Bacillus indicus HU36 and Bacillus firmus GB1 are sources of carotenoids (∼fifteen distinct yellow and orange pigments and ∼thirteen distinct pink pigments, respectively). They are glycosides of oxygenated lycopene derivatives (apo-lycopenoids) and are assumed to be more heat- and gastric-stable than common carotenoids. In this study, the oxidation by O2 of the bacterial carotenoids was initiated by free iron (Fe(II) and Fe(III)) or by heme iron (metmyoglobin) in a mildly acidic aqueous solution mimicking the gastro-intestinal compartment and compared to the oxidation of the common dietary carotenoids β-carotene, lycopene and astaxanthin. Under these conditions, all bacterial carotenoids appear more stable in the presence of heme iron vs. free iron. Carotenoid autoxidation initiated by Fe(II) is relatively fast and likely involves reactive oxygen-iron species derived from Fe(II) and O2. By contrast, the corresponding reaction with Fe(III) is kinetically blocked by the slow preliminary reduction of Fe(III) into Fe(II) by the carotenoids. The stability of carotenoids toward autoxidation increases as follows: β-carotene
Test wells SF-1A, 1B, 1C, and SF-2A, 2B, 2C, Santa Fe County, New Mexico
Hart, D.L.
1989-01-01
Two well nests, SF-1 and SF-2, were drilled in Santa Fe County, New Mexico, to monitor the hydraulic head within selected zones of the aquifer. Each well nest consists of three piezometers of shallow, middle, and deep completion within the aquifer. Each set of wells was drilled to a depth of about 2,000 ft before actual construction of the piezometers. Each piezometer was completed using either 5 or 10 ft of wire-wrapped screen. These piezometers were constructed as part of a larger ongoing program with the Santa Fe Metropolitan Water Board and New Mexico State Engineer Office to establish a regional observation-well network and to define better the groundwater flow system in the vicinity of Santa Fe and Santa Fe well fields. (USGS)
Zhang, Xue-Xia; Zhang, Xiao-Xia; Zheng, Yu-Ji; Wang, Rong-Ping; Chen, Neng-Chang; Lu, Pu-Xiang
2013-07-01
The interactions between the concentrations of sulfur, iron and cadmium in the rhizosphere and their uptakes in rice (Oryza sativa L. ) were studied using paddy soil which was contaminated by acid mine drainage under five water-management treatments of 60%, 80%, 100% field moisture capacity (FMC), flooded throughout the entire rice growth period and flooded followed by keeping 80% FMC after heading-flowering period. The water managements had no significant influence on the Fe and Cd concentrations in rhizosphere soil in maturity stage, although the concentration of Cd slightly increased with the increase of soil moisture in the tillering stage. However, the uptake of Fe and Cd in rice was obviously related to water managements. The increase of soil moisture enhanced the uptake of Fe, but decreased the uptake of Cd in different organs of rice (roots, stems and leaves, grains) except for Cd uptake of the root in the 60% FMC treatment. However, aerobic treatment after heading-flowering period enhanced Cd uptake in rice in all treatments, but did not influence the uptake of Fe in rice. On the other hand, the increase of soil moisture reduced the concentrations of total sulfur and available sulfur in the rhizosphere soil except for the 60% FMC treatment, which corresponded with the reduction of Cd uptake in rice. And the aerobic treatment promoted Cd uptake in rice, which was also positively related to the increase of total sulfur and available sulfur in rhizosphere soil. Therefore, it was concluded that the uptake and speciation of sulfur in rhizosphere soil other than the change of Fe concentration induced by water management could play an important role in Cd uptake of rice.
Oxidation of shallow conduit magma: Insight from μ-XANES analysis on volcanic ash particle
NASA Astrophysics Data System (ADS)
Miwa, T.; Ishibashi, H.; Iguchi, M.
2014-12-01
Redox state of magma is important to understand dynamics of volcanic eruptions because magma properties such as composition of degassed volatiles, stability field of minerals, and rheology of magma depend on redox state. To evaluate redox state of magma, Fe3+/ΣFe ratio [= Fe3+/( Fe3++ Fe2+)] of volcanic glass has been measured non-destructively by Fe-K edge μ-XANES (micro X-ray Absorption Near Edge Structure) spectroscopy (e.g., Cottrell and Kelly, 2011). We performed textural, compositional, and Fe-K edge μ-XANES analyses on volcanic ash to infer oxidation process of magma at shallow conduit during eruption at Bromo Volcano, Indonesia. The volcanic ash particles were collected in 24th March 2011 by real-time sampling from ongoing activity. The activity was characterized by strombolian eruption showing magma head ascended to near the ground surface. The ash sample contains two type of volcanic glasses named as Brown and Black glasses (BrG and BlG), based on their color. Textual analysis shows microlite crystallinities are same in the two type of glasses, ranging from 0 to 3 vol.%. EPMA analyses show that all of the glasses have almost identical andesitic composition with SiO2 = 60 wt.%. In contrast, Fe-K edge μ-XANES spectra with the analytical method by Ishibashi et al. (in prep) demonstrate that BrG (Fe3+/ΣFe = 0.20-0.26) is more oxidized than BlG (Fe3+/ΣFe = 0.32-0.60). From combination of the glass composition, the measured Fe3+/ΣFe ratio and 1060 degree C of temperature (Kress and Carmichael, 1991), the oxygen fugacities are estimated to be NNO and NNO+4 for BrG and BlG, respectively. The volcanic glasses preserve syn-eruptive physicochemical conditions by rapid quenching due to their small size ranging from 125 to 250 μm. Our results demonstrate that BrG and BlG magmas are textually and chemically identical but their redox conditions are different at the eruption. The oxidation of magma can be caused by following two processes; 1) diffusive transport of oxygen, and 2) dissociation reaction of hydrogen from magma head. The two processes should be easy to occur in shallower region of the conduit. Therefore we suggest BlG magma existed in shallower part of the conduit than BrG magma. The K-edge μ-XANES analysis can be strong tool for understanding on degassing and ascent process of magma at shallow conduit.
Wieding, Jan; Souffrant, Robert; Fritsche, Andreas; Mittelmeier, Wolfram; Bader, Rainer
2012-01-01
The use of finite element analysis (FEA) has grown to a more and more important method in the field of biomedical engineering and biomechanics. Although increased computational performance allows new ways to generate more complex biomechanical models, in the area of orthopaedic surgery, solid modelling of screws and drill holes represent a limitation of their use for individual cases and an increase of computational costs. To cope with these requirements, different methods for numerical screw modelling have therefore been investigated to improve its application diversity. Exemplarily, fixation was performed for stabilization of a large segmental femoral bone defect by an osteosynthesis plate. Three different numerical modelling techniques for implant fixation were used in this study, i.e. without screw modelling, screws as solid elements as well as screws as structural elements. The latter one offers the possibility to implement automatically generated screws with variable geometry on arbitrary FE models. Structural screws were parametrically generated by a Python script for the automatic generation in the FE-software Abaqus/CAE on both a tetrahedral and a hexahedral meshed femur. Accuracy of the FE models was confirmed by experimental testing using a composite femur with a segmental defect and an identical osteosynthesis plate for primary stabilisation with titanium screws. Both deflection of the femoral head and the gap alteration were measured with an optical measuring system with an accuracy of approximately 3 µm. For both screw modelling techniques a sufficient correlation of approximately 95% between numerical and experimental analysis was found. Furthermore, using structural elements for screw modelling the computational time could be reduced by 85% using hexahedral elements instead of tetrahedral elements for femur meshing. The automatically generated screw modelling offers a realistic simulation of the osteosynthesis fixation with screws in the adjacent bone stock and can be used for further investigations. PMID:22470474
Specular spin-valve films with an FeCo nano-oxide layer by ion-assisted oxidation
NASA Astrophysics Data System (ADS)
Fukuzawa, Hideaki; Koi, Katsuhiko; Tomita, Hiroshi; Fuke, Hiromi Niu; Iwasaki, Hitoshi; Sahashi, Masashi
2002-05-01
We compared the specular spin-valve films with an Fe50Co50 nano-oxide layer (NOL) and a Co90Fe10 NOL in a pinned layer, prepared by natural oxidation (NO) and ion-assisted oxidation (IAO). For the IAO, an Ar-ion beam was used for the energy-assist effect during the oxidation, resulting in thermally stable NOL formation. With small oxygen exposures during the oxidation for the Fe50Co50 NOL by IAO, good ferromagnetic coupling through the NOL and high specularity at the NOL interface were concurrently obtained. Moreover, twisted coupling through the NOL was observed for the Fe50Co50 NOL by IAO for higher oxygen exposures. On the other hand, the NO did not cause large magnetoresistance (MR) enhancement for either the Co90Fe10 or Fe50Co50 NOLs, and the Co90Fe10 NOL by IAO caused weak magnetic coupling through the NOL, resulting in a small MR ratio. The Fe50Co50 NOL for small oxygen exposures is a good candidate for a final specular spin-valve film head for 100-Giga-bit per square inch recording.
NASA Technical Reports Server (NTRS)
Scowcroft, Victoria; Seibert, Mark; Freedman, Wendy L.; Beaton, Rachael L.; Madore, Barry F.; Monson, Andrew J.; Rich, Jeffery A.; Rigby, Jane R.
2016-01-01
We compare mid-infrared (IR) 3.6 and 4.5 micron Warm Spitzer observations for Cepheids in the Milky Way and the Large and Small Magellanic Clouds. Using models, we explore in detail the effect of the CO rotation-vibration band-head at 4.6 micron on the mid-IR photometry. We confirm the temperature sensitivity of the CO band-head at 4.6 micron and find no evidence for an effect at 3.6 micron. We compare the ([3.6]-[4.5]) period-colour relations in the MW, LMC and SMC. The slopes of the period-colour relations for the three galaxies are in good agreement, but there is a trend in zero-point with metallicity, with the lowest metallicity Cepheids having redder mid-IR colours. Finally, we present a colour-[Fe/H] relation based on published spectroscopic metallicities. This empirical relation, calibrated to the metallicity system of Genovali et al., demonstrates that the ([3.6]-[4.5]) colour provides a reliable metallicity indicator for Cepheids, with a precision comparable to current spectroscopic determinations.
On the size and velocity distribution of cosmic dust particles entering the atmosphere
Carrillo‐Sánchez, J. D.; Feng, W.; Nesvorný, D.; Janches, D.
2015-01-01
Abstract The size and velocity distribution of cosmic dust particles entering the Earth's atmosphere is uncertain. Here we show that the relative concentrations of metal atoms in the upper mesosphere, and the surface accretion rate of cosmic spherules, provide sensitive probes of this distribution. Three cosmic dust models are selected as case studies: two are astronomical models, the first constrained by infrared observations of the Zodiacal Dust Cloud and the second by radar observations of meteor head echoes; the third model is based on measurements made with a spaceborne dust detector. For each model, a Monte Carlo sampling method combined with a chemical ablation model is used to predict the ablation rates of Na, K, Fe, Mg, and Ca above 60 km and cosmic spherule production rate. It appears that a significant fraction of the cosmic dust consists of small (<5 µg) and slow (<15 km s−1) particles. PMID:27478282
Assessment of the Effectiveness of Combat Eyewear Protection Against Blast Overpressure.
Sundaramurthy, A; Skotak, M; Alay, E; Unnikrishnan, G; Mao, H; Duan, X; Williams, S T; Harding, T H; Chandra, N; Reifman, J
2018-07-01
It is unclear whether combat eyewear used by U. S. Service members is protective against blast overpressures (BOPs) caused by explosive devices. Here, we investigated the mechanisms by which BOP bypasses eyewear and increases eye surface pressure. We performed experiments and developed three-dimensional (3D) finite element (FE) models of a head form (HF) equipped with an advanced combat helmet (ACH) and with no eyewear, spectacles, or goggles in a shock tube at three BOPs and five head orientations relative to the blast wave. Overall, we observed good agreement between experimental and computational results, with average discrepancies in impulse and peak-pressure values of less than 15% over 90 comparisons. In the absence of eyewear and depending on the head orientation, we identified three mechanisms that contributed to pressure loading on the eyes. Eyewear was most effective at 0 deg orientation, with pressure attenuation ranging from 50 (spectacles) to 80% (goggles) of the peak pressures observed in the no-eyewear configuration. Spectacles and goggles were considerably less effective when we rotated the HF in the counter-clockwise direction around the superior-inferior axis of the head. Surprisingly, at certain orientations, spectacles yielded higher maximum pressures (80%) and goggles yielded larger impulses (150%) than those observed without eyewear. The findings from this study will aid in the design of eyewear that provides better protection against BOP.
Taniguchi, Noboru; D'Lima, Darryl D; Suenaga, Naoki; Chosa, Etsuo
2018-02-01
Failure rates after rotator cuff repair remain high in patients with massive tears. Although superior translation of the humeral head has been used to assess the severity of rotator cuff tears, the relevance of anterior migration of the humeral head to clinical outcomes has not been established. The purpose of this study was to investigate the potential role of the T-scale, a measure of the anterolateral translation of the humeral head, as a prognostic factor for rotator cuff repair. One hundred twenty consecutive patients with full-thickness rotator cuff tears underwent primary rotator cuff repair. The T-scale and acromiohumeral interval (AHI) were measured preoperatively on axial computed tomography scans and radiographs, respectively. The correlations of the T-scale and AHI with previously published scores and active forward elevation (FE) were investigated. The outcome of rotator cuff repairs was compared between patients with positive and patients with negative preoperative T-scale values. The preoperative T-scale but not AHI correlated significantly with postoperative FE and clinical scores in patients with large to massive tears but not in those with small to medium tears. Postoperative FE and clinical scores were significantly higher in patients with positive T-scale values than in those with negative T-scale values. The relative risk of retear was 2.0 to 7.9 times greater in patients with negative T-scale values. Patients with large to massive tears and negative T-scale values had poorer clinical outcomes and higher retear rates. A negative T-scale value represents a useful prognostic factor for considering reverse shoulder arthroplasty in patients at greater risk of retear after rotator cuff repair. Copyright © 2017 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.
Modeling interface exchange coupling: Effect on switching of granular FePt films
NASA Astrophysics Data System (ADS)
Abugri, Joseph B.; Visscher, P. B.; Su, Hao; Gupta, Subhadra
2015-07-01
To raise the areal density of magnetic recording to ˜1 Tbit/in2, there has been much recent work on the use of FePt granular films, because their high perpendicular anisotropy allows small grains to be stable. However, their coercivity may be higher than available write-head fields. One approach to reduce the coercivity is to heat the grain (heat assisted magnetic recording). Another strategy is to add a soft capping layer to help nucleate switching via exchange coupling with the hard FePt grains. We have simulated a model of such a capped medium and have studied the effect of the strength of the interface exchange and thickness of hard layer and soft layer on the overall coercivity. Although the magnetization variation within such boundary layers may be complex, the net effect of the boundary can often be modeled as an infinitely thin interface characterized by an interface exchange energy density—we show how to do this consistently in a micromagnetic simulation. Although the switching behavior in the presence of exchange, magnetostatic, and external fields is quite complex, we show that by adding these fields one at a time, the main features of the M-H loop can be understood. In particular, we find that even without hard-soft interface exchange, magnetostatic coupling eliminates the zero-field kink in the loop, so that the absence of the kink does not (as has sometimes been assumed) imply exchange coupling. The computations have been done with a public-domain micromagnetics simulator that has been adapted to easily simulate arrays of grains.
Designing safer composite helmets to reduce rotational accelerations during oblique impacts.
Mosleh, Yasmine; Cajka, Martin; Depreitere, Bart; Vander Sloten, Jos; Ivens, Jan
2018-05-01
Oblique impact is the most common accident situation that occupants in traffic accidents or athletes in professional sports experience. During oblique impact, the human head is subjected to a combination of linear and rotational accelerations. Rotational movement is known to be responsible for traumatic brain injuries. In this article, composite foam with a column/matrix composite configuration is proposed for head protection applications to replace single-layer uniform foam, to better attenuate rotational movement of the head during oblique impacts. The ability of composite foam in the mitigation of rotational head movement is studied by performing finite element (FE) simulations of oblique impact on flat and helmet shape specimens. The performance of composite foam with respect to parameters such as compliance of the matrix foam and the number, size and cross-sectional shape of the foam columns is explored in detail, and subsequently an optimized structure is proposed. The simulation results show that using composite foam instead of single-layer foam, the rotational acceleration and velocity of the headform can be significantly reduced. The parametric study indicates that using a more compliant matrix foam and by increasing the number of columns in the composite foam configuration, the rotation can be further mitigated. This was confirmed by experimental results. The simulation results were also analyzed based on global head injury criteria such as head injury criterion, rotational injury criterion, brain injury criterion and generalized acceleration model for brain injury threshold which further confirmed the superior performance of composite foam versus single-layer homogeneous expanded polystyrene foam. The findings of simulations give invaluable information for design of protective helmets or, for instance, headliners for the automotive industry.
PWSCC Assessment by Using Extended Finite Element Method
NASA Astrophysics Data System (ADS)
Lee, Sung-Jun; Lee, Sang-Hwan; Chang, Yoon-Suk
2015-12-01
The head penetration nozzle of control rod driving mechanism (CRDM) is known to be susceptible to primary water stress corrosion cracking (PWSCC) due to the welding-induced residual stress. Especially, the J-groove dissimilar metal weld regions have received many attentions in the previous studies. However, even though several advanced techniques such as weight function and finite element alternating methods have been introduced to predict the occurrence of PWSCC, there are still difficulties in respect of applicability and efficiency. In this study, the extended finite element method (XFEM), which allows convenient crack element modeling by enriching degree of freedom (DOF) with special displacement function, was employed to evaluate structural integrity of the CRDM head penetration nozzle. The resulting stress intensity factors of surface cracks were verified for the reliability of proposed method through the comparison with those suggested in the American Society of Mechanical Engineering (ASME) code. The detailed results from the FE analyses are fully discussed in the manuscript.
Robust human body model injury prediction in simulated side impact crashes.
Golman, Adam J; Danelson, Kerry A; Stitzel, Joel D
2016-01-01
This study developed a parametric methodology to robustly predict occupant injuries sustained in real-world crashes using a finite element (FE) human body model (HBM). One hundred and twenty near-side impact motor vehicle crashes were simulated over a range of parameters using a Toyota RAV4 (bullet vehicle), Ford Taurus (struck vehicle) FE models and a validated human body model (HBM) Total HUman Model for Safety (THUMS). Three bullet vehicle crash parameters (speed, location and angle) and two occupant parameters (seat position and age) were varied using a Latin hypercube design of Experiments. Four injury metrics (head injury criterion, half deflection, thoracic trauma index and pelvic force) were used to calculate injury risk. Rib fracture prediction and lung strain metrics were also analysed. As hypothesized, bullet speed had the greatest effect on each injury measure. Injury risk was reduced when bullet location was further from the B-pillar or when the bullet angle was more oblique. Age had strong correlation to rib fractures frequency and lung strain severity. The injuries from a real-world crash were predicted using two different methods by (1) subsampling the injury predictors from the 12 best crush profile matching simulations and (2) using regression models. Both injury prediction methods successfully predicted the case occupant's low risk for pelvic injury, high risk for thoracic injury, rib fractures and high lung strains with tight confidence intervals. This parametric methodology was successfully used to explore crash parameter interactions and to robustly predict real-world injuries.
Spin valves with spin-engineered domain-biasing scheme
NASA Astrophysics Data System (ADS)
Lu, Z. Q.; Pan, G.
2003-06-01
Synthetic spin-filter spin valves with spin-engineered biasing scheme "sub/Ta/NiFe/IrMn/NiFe/NOL/Cu1/CoFe/Cu2/CoFe/Ru/CoFe/IrMn/Ta" were developed. In the structure, the orthogonal magnetic configuration for biasing and pinning field was obtained by one-step magnetic annealing process by means of spin flop, which eliminated the need for two antiferromagnetic materials with distinctively different blocking temperatures and two-step magnetic annealing as in conventional exchange biasing scheme. The longitudinal domain biasing of spin valves was achieved by using interlayer coupling field through Cu1 spacer. By adjusting the thickness of the Cu1 layer, the interlayer coupling biasing field can provide domain stabilization and was sufficiently strong to constrain the magnetization in coherent rotation. This can prevent Barkhausen noises associated with magnetization reversal. We report here a proof of concept study of such a domain-biasing scheme, which has its important technological applications in nanoscale spin valve and magnetic tunneling junction read heads and other spintronic devices.
230% room-temperature magnetoresistance in CoFeB /MgO/CoFeB magnetic tunnel junctions
NASA Astrophysics Data System (ADS)
Djayaprawira, David D.; Tsunekawa, Koji; Nagai, Motonobu; Maehara, Hiroki; Yamagata, Shinji; Watanabe, Naoki; Yuasa, Shinji; Suzuki, Yoshishige; Ando, Koji
2005-02-01
Magnetoresistance (MR) ratio up to 230% at room temperature (294% at 20 K) has been observed in spin-valve-type magnetic tunnel junctions (MTJs) using MgO tunnel barrier layer fabricated on thermally oxidized Si substrates. We found that such a high MR ratio can be obtained when the MgO barrier layer was sandwiched with amorphous CoFeB ferromagnetic electrodes. Microstructure analysis revealed that the MgO layer with (001) fiber texture was realized when the MgO layer was grown on amorphous CoFeB rather than on polycrystalline CoFe. Since there have been no theoretical studies on the MTJs with a crystalline tunnel barrier and amorphous electrodes, the detailed mechanism of the huge tunneling MR effect observed in this study is not clear at the present stage. Nevertheless, the present work is of paramount importance in realizing high-density magnetoresistive random access memory and read head for ultra high-density hard-disk drives into practical use.
New Technology Drafts: Production and Improvements
Lapidus, Alla
2018-01-22
Alla Lapidus, head of the DOE Joint Genome Institute's Finishing group, gives a talk on how the DOE JGI's microbial genome sequencing pipeline has been adapted to accommodate next generation sequencing platforms at the "Sequencing, Finishing, Analysis in the Future" meeting in Santa Fe, NM.
CPP-GMR films with a current-confined-path nano-oxide layer (CCP-NOL)
NASA Astrophysics Data System (ADS)
Fukuzawa, Hideaki; Yuasa, Hiromi; Iwasaki, Hitoshi
2007-03-01
We investigated the film performance and nanostructure of current-perpendicular-to-plane giant magnetoresistance (CPP-GMR) spin-valve film with a current-confined-path nano-oxide layer (CCP-NOL). By applying ion-assisted oxidation (IAO) for the CCP-NOL formation, we enhanced the MR ratio to 5.4% at a small RA value of 500 mΩ µm2 for conventional Co90Fe10 layers. Furthermore, the use of bcc-Fe50Co50 also increased the MR ratio to 8.2% at a small RA value of 580 mΩ µm2. A modified Valet-Fert model for the CCP-NOL showed that the MR enhancement by the IAO is due to the improvement in resistivity of the CCP, and that by Fe50Co50 is due to a larger spin-dependent interface scattering effect. Analysis by cross-sectional TEM and three-dimensional atom probe confirmed the formation of the CCP-NOL structure. A reliability test for test element devices showed almost no change even under acceleration stress. The CPP-GMR spin-valve film with the CCP-NOL is extendable to future high-density recording heads due to its potential for a higher MR ratio at a small value of RA.
Amiri, Sorosh; Naserkhaki, Sadegh; Parnianpour, Mohamad
2018-06-19
The dummies currently used for predicting vehicle occupant response during frontal crashes or whole-body vibration provide insufficient information about spinal loads. Although they aptly approximate upper-body rotations in different loading scenarios, they overlook spinal loads, which are crucial to injury assessment. This paper aims to develop a modified dummy finite element (FE) model with a detailed viscoelastic lumbar spine. This model has been developed and validated against in-vitro and in-silico data under different loading conditions, and its predicted ranges of motion (RoM) and intradiscal pressure (IDP) maintain close correspondence with the in-vitro data. The dominant frequency of the model was f = 8.92 Hz, which was close to previous results. In the relaxation test, a force reduction of up to 21% was obtained, showing high agreement in force relaxation during the in-vitro test. The FE lumbar spine model was placed in the HYBRID III test dummy and aligned in a seated position based on available MRI data. Under two impulsive acceleration loadings in flexion and lateral directions with a peak acceleration of 60 m/s 2 , flexion responses of the modified and original dummies were close (RoMs of 29.1° and 29.6°, respectively), though not in lateral bending (RoMs of 34.1° and 15.6°, respectively), where the modified dummy was more flexible than the original. By reconstructing a real frontal crash, it was found that the modified dummy provided a 10% reduction in the Head Injury Criterion (HIC). Other than the more realistic behavior of this modified dummy, its capability of approximating lumbar loads and risk of lumbar spine injuries in vehicle crashes or whole-body vibration is of great importance. Copyright © 2018 Elsevier Ltd. All rights reserved.
L10 FePtCu bit patterned media
NASA Astrophysics Data System (ADS)
Brombacher, C.; Grobis, M.; Lee, J.; Fidler, J.; Eriksson, T.; Werner, T.; Hellwig, O.; Albrecht, M.
2012-01-01
Chemically ordered 5 nm-thick L10 FePtCu films with strong perpendicular magnetic anisotropy were post-patterned by nanoimprint lithography into a dot array over a 3 mm-wide circumferential band on a 3 inch Si wafer. The dots with a diameter of 30 nm and a center-to-center pitch of 60 nm appear as single domain and reveal an enhanced switching field as compared to the continuous film. We demonstrate successful recording on a single track using shingled writing with a conventional hard disk drive write/read head.
NASA Astrophysics Data System (ADS)
Kincaid, T. R.; Meyer, B. A.
2009-12-01
In groundwater flow modeling, aquifer permeability is typically defined through model calibration. Since the pattern and size of conduits are part of a karstic permeability framework, those parameters should be constrainable through the same process given a sufficient density of measured conditions. H2H Associates has completed a dual-permeability steady-state model of groundwater flow through the western Santa Fe River Basin, Florida from which a 380.9 km network of saturated conduits was delineated through model calibration to heads and spring discharges. Two calibration datasets were compiled describing average high-water and average low-water conditions based on heads at 145 wells and discharge from 18 springs for the high-water scenario and heads at 188 wells and discharge from 9 springs for the low-water scenario. An initial conduit network was defined by assigning paths along mapped conduits and inferring paths along potentiometric troughs between springs and swallets that had been connected by groundwater tracing. These initial conduit assignments accounted for only 13.75 and 34.1 km of the final conduit network respectively. The model was setup using FEFLOW™ where conduits were described as discrete features embedded in a porous matrix. Flow in the conduits was described by the Manning-Strickler equation where variables for conduit area and roughness were used to adjust the volume and velocity of spring flows. Matrix flow was described by Darcy’s law where hydraulic conductivity variations were limited to three geologically defined internally homogeneous zones that ranged from ~2E-6 m/s to ~4E-3 m/s. Recharge for both the high-water and low-water periods was determined through a water budget analysis where variations were restricted to nine zones defined by land-use. All remaining variations in observed head were then assumed to be due to conduits. The model was iteratively calibrated to the high-water and low-water datasets wherein the location, size and roughness of the conduits were assigned as needed to accurately simulate observed heads and spring discharges while bounding simulated velocities by the tracer test results. Conduit diameters were adjusted to support high-water spring discharges but the locations were best determined by calibration to the low-water head field. The final model calibrated to within 5% of the total head change across the model region at 143 of the 145 wells in the high-water scenario and at 176 of the 188 wells in the low-water scenario. Simulated spring discharges fell within 13% of the observed range under high-water conditions and to within 100% of the observed range under low-water conditions. Simulated velocities ranged from as low as 10-4 m/day in the matrix to as high as 10+3 m/day in the largest conduits. The significance of these results that we emphasize here is two-fold. First, plausible karstic groundwater flow conditions can be reasonably simulated if adequate efforts are made to include springs, swallets, caves, and traced flow paths. And second, detailed saturated conduit networks can be delineated from careful evaluation of hydraulic head data particularly when dense datasets can be constructed by correlating values obtained from different wells under similar hydraulic periods.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Matsuyama, H., E-mail: matsu@phys.sci.hokudai.ac.jp; Nara, D.; Kageyama, R.
We developed a micrometer-sized magnetic tip integrated onto the write head of a hard disk drive for spin-polarized scanning tunneling microscopy (SP-STM) in the modulated tip magnetization mode. Using SP-STM, we measured a well-defined in-plane spin-component of the tunneling current of the rough surface of a polycrystalline NiFe film. The spin asymmetry of the NiFe film was about 1.3% within the bias voltage range of -3 to 1 V. We obtained the local spin component image of the sample surface, switching the magnetic field of the sample to reverse the sample magnetization during scanning. We also obtained a spin imagemore » of the rough surface of a polycrystalline NiFe film evaporated on the recording medium of a hard disk drive.« less
Nuclear magnetic resonance probe head design for precision strain control
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kissikov, T.; Sarkar, R.; Bush, B. T.
Here, we present the design and construction of an NMR probe to investigate single crystals under strain at cryogenic temperatures. The probe head incorporates a piezoelectric-based apparatus from Razorbill Instruments that enables both compressive and tensile strain tuning up to strain values on the order of 0.3% with a precision of 0.001%. 75As NMR in BaFe 2As 2 reveals large changes to the electric field gradient and indicates that the strain is homogeneous to within 16% over the volume of the NMR coil.
Nuclear magnetic resonance probe head design for precision strain control
Kissikov, T.; Sarkar, R.; Bush, B. T.; ...
2017-10-03
Here, we present the design and construction of an NMR probe to investigate single crystals under strain at cryogenic temperatures. The probe head incorporates a piezoelectric-based apparatus from Razorbill Instruments that enables both compressive and tensile strain tuning up to strain values on the order of 0.3% with a precision of 0.001%. 75As NMR in BaFe 2As 2 reveals large changes to the electric field gradient and indicates that the strain is homogeneous to within 16% over the volume of the NMR coil.
Iwamoto, Masami; Nakahira, Yuko; Kimpara, Hideyuki; Sugiyama, Takahiko; Min, Kyuengbo
2012-10-01
A few reports suggest differences in injury outcomes between cadaver tests and real-world accidents under almost similar conditions. This study hypothesized that muscle activity could primarily cause the differences, and then developed a human body finite element (FE) model with individual muscles. Each muscle was modeled as a hybrid model of bar elements with active properties and solid elements with passive properties. The model without muscle activation was firstly validated against five series of cadaver test data on impact responses in the anterior-posterior direction. The model with muscle activation levels estimated based on electromyography (EMG) data was secondly validated against four series of volunteer test data on bracing effects for stiffness and thickness of an upper arm muscle, and braced driver's responses under a static environment and a brake deceleration. A muscle controller using reinforcement learning (RL), which is a mathematical model of learning process in the basal ganglia associated with human postural controls, were newly proposed to estimate muscle activity in various occupant conditions including inattentive and attentive conditions. Control of individual muscles predicted by RL reproduced more human like head-neck motions than conventional control of two groups of agonist and antagonist muscles. The model and the controller demonstrated that head-neck motions of an occupant under an impact deceleration of frontal crash were different in between a bracing condition with maximal braking force and an occupant condition predicted by RL. The model and the controller have the potential to investigate muscular effects in various occupant conditions during frontal crashes.
Structure and Properties of Thermite Welds in Premium Rails
DOT National Transportation Integrated Search
1985-12-01
Thermite welds were used to join combinations of premium rails and AREA Controlled Cooled Carbon rails (i.e., standard rails). The premium rails comprised head-hardened rails and CrMo, CrV and Cr alloy rails. A major objective was to determine the fe...
NASA Astrophysics Data System (ADS)
Hasegawa, N.; Koike, F.; Ikarashi, K.; Ishizone, M.; Kawamura, M.; Nakazawa, Y.; Takahashi, A.; Tomita, H.; Iwasaki, H.; Sahashi, M.
2002-05-01
To implement the specular nano-oxide-layer (NOL) spin valve (SV) heads for use in practical applications, it is key to simultaneously achieve a good specular effect of the NOL inserted in the synthetic ferrimagnet pinned layer (i.e., high magnetoresistance MR performance) and a strong pinning field through the NOL. By using CoFe+X as a substance to be subjected to oxidation, we obtained the NOL specular SV films simultaneously achieving a high MR ratio of 17%-18% and a high pinning field of 1100-1500 Oe. Narrow track (0.12 μm) heads were fabricated and they showed a high sensitivity of 10 mV/μm. Several reliability tests were done both at the sheet film level and the actual head level. The oxygen inside NOL was found to be stable up to 350 °C, and pinned layer magnetization canting after orthogonal field annealing was found to be almost the same as today's non-NOL SV films. An electrostatic discharge test and accelerated lifetime test were also performed and NOL specular heads were demonstrated to have almost the same robustness as today's non-NOL heads.
NASA Astrophysics Data System (ADS)
Bae, Seongtae
Since giant magnetoresistance (GMR) and tunneling magnetoresistance (TMR) spinvalve effects were developed for the last two decades after discovered, world wide researches on applying these effects for various kinds of solid state active devices has provided a strong impact on challenging new functional micro-magnetoelectronic devices. In particular, recently developed nano-structured magnetic spin-valve thin film materials for spin-electronic devices are now considered as building blocks of state-of-the-art electronic engineering. This research has been concentrated on developing and designing magneto-electronic solid state devices with high thermal and electrical stability using an alpha-Fe 2O3 and NiO oxide anti-ferromagnetic exchange biased GMR bottom spin-valves (BSV), NiFe/Cu/Co and NiFe/Cu/CoFe based closed-flux metallic pseudo spin-valves, and PtMn exchange biased TMR spin-valves. The category covering this research is divided into four main research steps. First is to investigate exchange bias coupling characteristics of alpha-Fe2 O3 and NiO oxide Anti-ferromagnetic materials (AF)/Ferromagnetic (F) layer systems for optimizing exchange biased BSV and to study magnetic properties of various kinds of magnetic thin films including single through multi-layered structures for the fundamental research on NiFe/Cu/Co and NiFe/Cu/CoFe closed-flux metallic pseudo spin-valves. Second is to develop and improve new kinds of BSVs and closed-flux metallic spinvalves by controlling process parameters in terms of crystalline orientation texture of AF and F layers, interfacial surface roughness, grain size (its size distribution), chemical composition, and kinetics of sputtering film growth. Third is to design, to fabricate, and to investigate the magnetic and electrical properties of magneto-electronic devices as well as their applications such as GMR magnetoresistive random access memory (MRAM), GMR read head, TMR read head, and new kinds of GMR solid state devices, which can be promisingly substituted for current microelectronic devices. Finally, the last is to focus on studying electrical reliability of GMR read sensor and GMR MRAM cell in terms of electromigration-induced failures of various kinds of magnetic thin films, which are currently used in GMR spin-valve materials, and is to investigate the effects of current (or voltage) induced dielectric breakdown in aluminum oxide tunnel barrier under various testing conditions on the electrical stability of real TMR read sensors.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Suess, D.; Abert, C.; Bruckner, F.
2015-04-28
The switching probability of magnetic elements for heat-assisted recording with pulsed laser heating was investigated. It was found that FePt elements with a diameter of 5 nm and a height of 10 nm show, at a field of 0.5 T, thermally written-in errors of 12%, which is significantly too large for bit-patterned magnetic recording. Thermally written-in errors can be decreased if larger-head fields are applied. However, larger fields lead to an increase in the fundamental thermal jitter. This leads to a dilemma between thermally written-in errors and fundamental thermal jitter. This dilemma can be partly relaxed by increasing the thickness of the FePtmore » film up to 30 nm. For realistic head fields, it is found that the fundamental thermal jitter is in the same order of magnitude of the fundamental thermal jitter in conventional recording, which is about 0.5–0.8 nm. Composite structures consisting of high Curie top layer and FePt as a hard magnetic storage layer can reduce the thermally written-in errors to be smaller than 10{sup −4} if the damping constant is increased in the soft layer. Large damping may be realized by doping with rare earth elements. Similar to single FePt grains in composite structure, an increase of switching probability is sacrificed by an increase of thermal jitter. Structures utilizing first-order phase transitions breaking the thermal jitter and writability dilemma are discussed.« less
HE in FE: Vocationalism, Class and Social Justice
ERIC Educational Resources Information Center
Avis, James; Orr, Kevin
2016-01-01
The paper draws on the Wolf (2015) report ("Heading for the Precipice: Can Further and Higher Education Funding Policies Be Sustained?") and other quantitative data, specifically that derived from HEFCE's Participation of Local Area (POLAR) classifications. In addition it explores key literature and debates that associate higher…
Exchange coupled CoPt/FePtC media for heat assisted magnetic recording
NASA Astrophysics Data System (ADS)
Dutta, Tanmay; Piramanayagam, S. N.; Ru, Tan Hui; Saifullah, M. S. M.; Bhatia, C. S.; Yang, Hyunsoo
2018-04-01
L10 FePtC granular media are being studied as potential future magnetic recording media and are set to be used in conjunction with heat assisted magnetic recording (HAMR) to enable recording at write fields within the range of current day recording heads. Media structures based on a FePtC storage layer and a capping layer can alleviate the switching field distribution (SFD) requirements of HAMR and reduce the noise originating from the writing process. However, the current designs suffer from SFD issues due to high temperature writing. To overcome this problem, we study a CoPt/FePtC exchange coupled composite structure, where FePtC serves as the storage layer and CoPt (with higher Curie temperature, Tc) as the capping layer. CoPt remains ferromagnetic at near Tc of FePtC. Consequently, the counter exchange energy from CoPt would reduce the noise resulting from the adjacent grain interactions during the writing process. CoPt/FePtC bilayer samples with different thicknesses of CoPt were investigated. Our studies found that CoPt forms a continuous layer at a thickness of 6 nm and leads to considerable reduction in the saturation field and its distribution.
Moncayo, Roy; Moncayo, Helga
2007-01-01
Background Low level connective tissue inflammation has been proposed to play a role in thyroid associated ophthalmopathy (TAO). The aim of this study was to investigate this postulate by a musculoskeletal approach together with biochemical parameters. Methods 13 patients with TAO and 16 controls were examined. Erythrocyte levels of Zn, Cu, Ca2+, Mg, and Fe were determined. The musculoskeletal evaluation included observational data on body posture with emphasis on the orbit-head region. The angular foot position in the frontal plane was quantified following gait observation. The axial orientation of the legs and feet was evaluated in an unloaded supine position. Functional propioceptive tests based on stretch stimuli were done by using foot inversion and foot rotation. Results Alterations in the control group included neck tilt in 3 cases, asymmetrical foot angle during gait in 2, and a reaction to foot inversion in 5 cases. TAO patients presented facial asymmetry with displaced eye fissure inclination (mean 9.1°) as well as tilted head-on-neck position (mean 5.7°). A further asymmetry feature was external rotation of the legs and feet (mean 27°). Both foot inversion as well as foot rotation induced a condition of neuromuscular deficit. This condition could be regulated by gentle acupressure either on the lateral abdomen or the lateral ankle at the acupuncture points gall bladder 26 or bladder 62, respectively. In 5 patients, foot rotation produced a phenomenon of moving toes in the contra lateral foot. In addition foot rotation was accompanied by an audible tendon snapping. Lower erythrocyte Zn levels and altered correlations between Ca2+, Mg, and Fe were found in TAO. Conclusion This whole body observational study has revealed axial deviations and body asymmetry as well as the phenomenon of moving toes in TAO. The most common finding was an arch-like displacement of the body, i.e. eccentric position, with foot inversion and head tilt to the contra lateral side and tendon snapping. We propose that eccentric muscle action over time can be the basis for a low grade inflammatory condition. The general implications of this model and its relations to Zn and Se will be discussed. PMID:17319961
Razaghi, Reza; Biglari, Hasan; Karimi, Alireza
2017-05-01
The long-term application of dental prostheses inside the bone has a narrow relation to its biomechanical performance. Chewing is the most complicated function of a dental implant as it implements different forces to the implant at various directions. Therefore, a suitable holistic modelling of the jaw bone, implant, food, muscles, and their forces would be deemed significant to figure out the durability as well as functionality of a dental implant while chewing. So far, two approaches have been proposed to employ the muscle forces into the Finite Element (FE) models, i.e. Muscle Equivalent Force (MEF) and trajectory. This study aimed at propounding a new three-dimensional dynamic FE model based on two muscle forces modelling approaches in order to investigate the stresses and deformations in the dental prosthesis as well as maxillary bone during the time of chewing a cornflakes bio. The results revealed that both contact and the maximum von Mises stress in the implant and bones for trajectory approach considerably exceed those of the MEF. The maximum stresses, moreover, are located around the neck of implant which should be both clinically and structurally strong enough to functionally maintain the bone-implant interface. In addition, a higher displacement due to compressive load is observed for the implant head in trajectory approach. The results suggest the benefits provided by trajectory approach since MEF approach would significantly underestimate the stresses and deformations in both the dental prosthesis and bones.
Kernodle, J.M.; McAda, D.P.; Thorn, C.R.
1995-01-01
This report describes a three-dimensional finite-difference ground-water-flow model of the Santa Fe Group aquifer system in the Albuquerque Basin, which comprises the Santa Fe Group (late Oligocene to middle Pleistocene age) and overlying valley and basin-fill deposits (Pleistocene to Holocene age). The model is designed to be flexible and adaptive to new geologic and hydrologic information as it becomes available by using a geographic information system as a data-base manager to interface with the model. The aquifer system was defined and quantified in the model consistent with the current (July 1994) understanding of the structural and geohydrologic framework of the basin. Rather than putting the model through a rigorous calibration process, dis- crepancies between simulated and measured responses in hydraulic head were taken to indicate that the understanding of a local part of the aquifer system was incomplete or incorrect. The model simulates ground-water flow over an area of about 2,400 square miles to a depth of 1,730 to about 2,020 feet below the water table with 244 rows, 178 columns, and 11 layers. Of the 477,752 cells in the model, 310,376 are active. The top four model layers approximate the 80-foot thickness of alluvium in the incised and refilled valley of the Rio Grande to provide detail of the effect of ground-water withdrawals on the surface- water system. Away from the valley these four layers represent the interval within the Santa Fe Group aquifer system between the com- puted predevelopment water table and a level 80 feet below the grade of the Rio Grande. The simulations include initial condi- tions (steady-state), the 1901-1994 historical period, and four possible ground-water withdrawal scenarios from 1994 to 2020. The model indicates that for the year ending in March 1994, net surface-water loss in the basin resulting from the City of Albuquerque's ground-water withdrawal totaled about 53,000 acre- feet. The balance of the about 123,000 acre-feet of withdrawal came from aquifer storage depletion (about 67,800 acre-feet) and captured or salvaged evapotranspiration (about 2,500 acre-feet). In the four scenarios projected from 1994 to 2020, City of Albuquerque annual withdrawals ranged from about 98,700 to about 177,000 acre-feet by the year 2020. The range of resulting sur- face-water loss was from about 62,000 to about 77,000 acre-feet. The range of aquifer storage depletion was from about 33,400 to about 95,900 acre-feet. Captured evapotranspiration and drain- return flow remained nearly constant for all scenarios. From 1994 to 2020, maximum projected declines in hydraulic head in the pri- mary water-production zone of the aquifer (model layer 9) for the four scenarios ranged from 55 to 164 feet east of the Rio Grande, and from 91 to 258 feet west of the river. Average declines in a 383.7-square-mile area around Albuquerque ranged from 28 to 65 feet in the production zone for the same period.
Integrated Model of the Eye/Optic Nerve Head Biomechanical Environment
NASA Technical Reports Server (NTRS)
Ethier, C. R.; Feola, A.; Myers, J. G.; Nelson, E.; Raykin, J.; Samuels, B.
2017-01-01
Visual Impairment and Intracranial Pressure (VIIP) syndrome is a concern for long-duration space flight. Previously, it has been suggested that ocular changes observed in VIIP syndrome are related to the cephalad fluid shift that results in altered fluid pressures [1]. We are investigating the impact of changes in intracranial pressure (ICP) using a combination of numerical models, which simulate the effects of various environment conditions, including finite element (FE) models of the posterior eye. The specific interest is to understand how altered pressures due to gravitational changes affect the biomechanical environment of tissues of the posterior eye and optic nerve sheath. METHODS: Additional description of the numerical modeling is provided in the IWS abstract by Nelson et al. In brief, to simulate the effects of a cephalad fluid shift on the cardiovascular and ocular systems, we utilized a lumped-parameter compartment model of these systems. The outputs of this lumped-parameter model then inform boundary conditions (pressures) for a finite element model of the optic nerve head (Figure 1). As an example, we show here a simulation of postural change from supine to 15 degree head-down tilt (HDT), with primary outcomes being the predicted change in strains at the optic nerve head (ONH) region, specifically in the lamina cribrosa (LC), retrolaminar optic nerve, and prelaminar neural tissue (PLNT). The strain field can be decomposed into three orthogonal components, denoted as the first, second and third principal strains. We compare the peak tensile (first principal) and compressive (third principal) strains, since elevated strain alters cell phenotype and induces tissue remodeling. RESULTS AND CONCLUSIONS: Our lumped-parameter model predicted an IOP increase of c. 7 mmHg after 21 minutes of 15 degree HDT, which agreed with previous reports of IOP in HDT [1]. The corresponding FEM simulations predicted a relative increase in the magnitudes of the peak tensile and compressive strains in the lamina cribrosa of 42 and 43, respectively (Fig. 2). The corresponding changes in the optic nerve strains were 17 and 39, while in the PLNT they were 47 and 43. These magnitudes of relative elevations in peak strains may induce a phenotypic response in resident mechano-responsive resident cells [2]. This approach may be expanded to investigate other environmental changes (e.g. parabolic flight). Through our VIIP SCHOLAR project, we will validate and improve these integrated models by measuring patient-specific changes in optic nerve sheath geometry in patients with idiopathic intracranial hypertension before and after lumbar puncture and CSF removal.
Severe Accident Scoping Simulations of Accident Tolerant Fuel Concepts for BWRs
DOE Office of Scientific and Technical Information (OSTI.GOV)
Robb, Kevin R.
2015-08-01
Accident-tolerant fuels (ATFs) are fuels and/or cladding that, in comparison with the standard uranium dioxide Zircaloy system, can tolerate loss of active cooling in the core for a considerably longer time period while maintaining or improving the fuel performance during normal operations [1]. It is important to note that the currently used uranium dioxide Zircaloy fuel system tolerates design basis accidents (and anticipated operational occurrences and normal operation) as prescribed by the US Nuclear Regulatory Commission. Previously, preliminary simulations of the plant response have been performed under a range of accident scenarios using various ATF cladding concepts and fully ceramicmore » microencapsulated fuel. Design basis loss of coolant accidents (LOCAs) and station blackout (SBO) severe accidents were analyzed at Oak Ridge National Laboratory (ORNL) for boiling water reactors (BWRs) [2]. Researchers have investigated the effects of thermal conductivity on design basis accidents [3], investigated silicon carbide (SiC) cladding [4], as well as the effects of ATF concepts on the late stage accident progression [5]. These preliminary analyses were performed to provide initial insight into the possible improvements that ATF concepts could provide and to identify issues with respect to modeling ATF concepts. More recently, preliminary analyses for a range of ATF concepts have been evaluated internationally for LOCA and severe accident scenarios for the Chinese CPR1000 [6] and the South Korean OPR-1000 [7] pressurized water reactors (PWRs). In addition to these scoping studies, a common methodology and set of performance metrics were developed to compare and support prioritizing ATF concepts [8]. A proposed ATF concept is based on iron-chromium-aluminum alloys (FeCrAl) [9]. With respect to enhancing accident tolerance, FeCrAl alloys have substantially slower oxidation kinetics compared to the zirconium alloys typically employed. During a severe accident, FeCrAl would tend to generate heat and hydrogen from oxidation at a slower rate compared to the zirconium-based alloys in use today. The previous study, [2], of the FeCrAl ATF concept during station blackout (SBO) severe accident scenarios in BWRs was based on simulating short term SBO (STSBO), long term SBO (LTSBO), and modified SBO scenarios occurring in a BWR-4 reactor with MARK-I containment. The analysis indicated that FeCrAl had the potential to delay the onset of fuel failure by a few hours depending on the scenario, and it could delay lower head failure by several hours. The analysis demonstrated reduced in-vessel hydrogen production. However, the work was preliminary and was based on limited knowledge of material properties for FeCrAl. Limitations of the MELCOR code were identified for direct use in modeling ATF concepts. This effort used an older version of MELCOR (1.8.5). Since these analyses, the BWR model has been updated for use in MELCOR 1.8.6 [10], and more representative material properties for FeCrAl have been modeled. Sections 2 4 present updated analyses for the FeCrAl ATF concept response during severe accidents in a BWR. The purpose of the study is to estimate the potential gains afforded by the FeCrAl ATF concept during BWR SBO scenarios.« less
Compositions of Diverse Noachian Lithologies at Marathon Valley, Endeavour Crater Rim, Mars
NASA Technical Reports Server (NTRS)
Mittlefehldt, David W.; Gellert, Ralf; Yen, Albert S.; Ming, Douglas W.; Van Bommel, Scott; Farrand, William H.; Arvidson, Raymond E.; Rice, James W., Jr.
2015-01-01
Mars Exploration Rover Opportunity has been exploring Meridiani Planum for 11+ years, and is presently investigating the geology of rim segments of 22 km diameter, Noachian-aged Endeavour crater. The Alpha Particle X-ray Spectrometer has determined the compositions of a pre-impact lithology and impact breccias representing ejecta from the crater. Opportunity is now investigating the head (higher elevation, western end) of Marathon Valley. This valley cuts eastward through the central portion of the Cape Tribulation rim segment and provides a window into the lower stratigraphic record of the rim. At the head of Marathon Valley is a shallow (few 10s of cm), ovoid depression approximately 27×36 m in size, named Spirit of Saint Louis, that is surrounded by approximately 20-30 cm wide zone of more reddish rocks (red zone). Opportunity has just entered a region of Marathon Valley that shows evidence for Fe-Mg smectite in Compact Reconnaissance Imaging Spectrometer for Mars spectra indicating areally extensive and distinct lithologic units and/or styles of aqueous alteration. Rocks at the head of Marathon Valley and within Spirit of Saint Louis are breccias (valley-head rocks). In some areas, layering inside Spirit of Saint Louis appears continuous with the rocks outside. The valley-head rocks are of similar, generally basaltic composition. The continuity in composition, texture and layering suggest the valley-head rocks are coeval breccias, likely from the Endeavour impact. These local breccias are similar in non-volatile-element composition to breccias investigated elsewhere on the rim. Rocks within the red zone are like those on either side in texture, but have higher Al, Si and Ge, and lower S, Mn, Fe, Ni and Zn as compared to rocks on either side. The valley-head rocks have higher S than most Endeavour rim breccias, while red zone rocks are like those latter breccias in S. Patches within the rocks outside Spirit of Saint Louis have higher Al, Si and Ge indicating red-zone-style alteration extended beyond the narrow red zone. Rocks on either side of the red zone and patches within it have the multispectral signature (determined by Panoramic Camera) of red hematite indicating an oxidizing environment. The red zone appears to be a thin alteration zone marking the border of Spirit of Saint Louis, but the origin of this morphologic feature remains obscure.
Tiedeman, C.R.; Kernodle, J.M.; McAda, D.P.
1998-01-01
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
Prediction on electronic structure of CH3NH3PbI3/Fe3O4 interfaces
NASA Astrophysics Data System (ADS)
Hou, Xueyao; Wang, Xiaocha; Mi, Wenbo; Du, Zunfeng
2018-01-01
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.
Noise Reduction Based on an Fe -Rh Interlayer in Exchange-Coupled Heat-Assisted Recording Media
NASA Astrophysics Data System (ADS)
Vogler, Christoph; Abert, Claas; Bruckner, Florian; Suess, Dieter
2017-11-01
High storage density and high data rate are two of the most desired properties of modern hard disk drives. Heat-assisted magnetic recording (HAMR) is believed to achieve both. Recording media, consisting of exchange-coupled grains with a high and a low TC part, were shown to have low dc noise—but increased ac noise—compared to hard magnetic single-phase grains like FePt. We extensively investigate the influence of an Fe -Rh interlayer on the magnetic noise in exchange-coupled grains. We find an optimal grain design that reduces the jitter in the down-track direction by up to 30% and in the off-track direction by up to 50%, depending on the head velocity, compared to the same structures without FeRh. Furthermore, the mechanisms causing this jitter reduction are demonstrated. Additionally, we show that, for short heat pulses and low write temperatures, the switching-time distribution of the analyzed grain structure is reduced by a factor of 4 compared to the same structure without an Fe -Rh layer. This feature could be interesting for HAMR use with a pulsed laser spot and could encourage discussion of this HAMR technique.
Optimization of vehicle deceleration to reduce occupant injury risks in frontal impact.
Mizuno, Koji; Itakura, Takuya; Hirabayashi, Satoko; Tanaka, Eiichi; Ito, Daisuke
2014-01-01
In vehicle frontal impacts, vehicle acceleration has a large effect on occupant loadings and injury risks. In this research, an optimal vehicle crash pulse was determined systematically to reduce injury measures of rear seat occupants by using mathematical simulations. The vehicle crash pulse was optimized based on a vehicle deceleration-deformation diagram under the conditions that the initial velocity and the maximum vehicle deformation were constant. Initially, a spring-mass model was used to understand the fundamental parameters for optimization. In order to investigate the optimization under a more realistic situation, the vehicle crash pulse was also optimized using a multibody model of a Hybrid III dummy seated in the rear seat for the objective functions of chest acceleration and chest deflection. A sled test using a Hybrid III dummy was carried out to confirm the simulation results. Finally, the optimal crash pulses determined from the multibody simulation were applied to a human finite element (FE) model. The optimized crash pulse to minimize the occupant deceleration had a concave shape: a high deceleration in the initial phase, low in the middle phase, and high again in the final phase. This crash pulse shape depended on the occupant restraint stiffness. The optimized crash pulse determined from the multibody simulation was comparable to that from the spring-mass model. From the sled test, it was demonstrated that the optimized crash pulse was effective for the reduction of chest acceleration. The crash pulse was also optimized for the objective function of chest deflection. The optimized crash pulse in the final phase was lower than that obtained for the minimization of chest acceleration. In the FE analysis of the human FE model, the optimized pulse for the objective function of the Hybrid III chest deflection was effective in reducing rib fracture risks. The optimized crash pulse has a concave shape and is dependent on the occupant restraint stiffness and maximum vehicle deformation. The shapes of the optimized crash pulse in the final phase were different for the objective functions of chest acceleration and chest deflection due to the inertial forces of the head and upper extremities. From the human FE model analysis it was found that the optimized crash pulse for the Hybrid III chest deflection can substantially reduce the risk of rib cage fractures. Supplemental materials are available for this article. Go to the publisher's online edition of Traffic Injury Prevention to view the supplemental file.
Quantifying widespread aqueous surface weathering on Mars: The plateaus south of Coprates Chasma
NASA Astrophysics Data System (ADS)
Loizeau, D.; Quantin-Nataf, C.; Carter, J.; Flahaut, J.; Thollot, P.; Lozac'h, L.; Millot, C.
2018-03-01
Pedogenesis has been previously proposed on the plateaus around Coprates Chasma, Valles Marineris to explain the presence of widespread clay sequences with Al-clays and possible hydrated silica over Fe/Mg-clays on the surface of the plateaus (Le Deit et al., 2012; Carter et al., 2015). We use previous observations together with new MRO targeted observations and DEMs to constrain the extent and thickness of the plateau clay unit: the Al-clay unit is less than 3 m thick, likely ∼1 m, while the Fe/Mg-clays underneath are few tens of meters thick. We also refine the age of alteration by retrieving crater retention ages of the altered plateau and of later deposits: the observed clay sequence was created by surface pedogenesis between model ages of 4.1 Ga and 3.75 Ga. Using a leaching model from Zolotov and Mironenko (2016), we estimate the quantity of atmospheric precipitations needed to create such a clay sequence, that strongly depends on the chemistry of the precipitating fluid. A few hundreds of meters of cumulated precipitations of highly acidic fluids could explain the observed clay sequence, consistent with estimates based on late Noachian valley erosion for example (Rosenberg and Head, 2015). We show finally that the maximum quantity of sulfates potentially formed during this surface weathering event can only contribute minimally to the volume of sulfates deposited in Valles Marineris.
McAda, Douglas P.; Barroll, Peggy
2002-01-01
This report describes a three-dimensional, finite difference, ground-water-flow model of the Santa Fe Group aquifer system within the Middle Rio Grande Basin between Cochiti and San Acacia, New Mexico. The aquifer system is composed of the Santa Fe Group of middle Tertiary to Quaternary age and post-Santa Fe Group valley and basin-fill deposits of Quaternary age. Population increases in the basin since the 1940's have caused dramatic increases in ground-water withdrawals from the aquifer system, resulting in large ground-water-level declines. Because the Rio Grande is hydraulically connected to the aquifer system, these ground-water withdrawals have also decreased flow in the Rio Grande. Concern about water resources in the basin led to the development of a research plan for the basin focused on the hydrologic interaction of ground water and surface water (McAda, D.P., 1996, Plan of study to quantify the hydrologic relation between the Rio Grande and the Santa Fe Group aquifer system near Albuquerque, central New Mexico: U.S. Geological Survey Water-Resources Investigations Report 96-4006, 58 p.). A multiyear research effort followed, funded and conducted by the U.S. Geological Survey and other agencies (Bartolino, J.R., and Cole, J.C., 2002, Ground-water resources of the Middle Rio Grande Basin, New Mexico: U.S. Geological Survey Circular 1222, 132 p.). The modeling work described in this report incorporates the results of much of this work and is the culmination of this multiyear study. The purpose of the model is (1) to integrate the components of the ground-water-flow system, including the hydrologic interaction between the surface-water systems in the basin, to better understand the geohydrology of the basin and (2) to provide a tool to help water managers plan for and administer the use of basin water resources. The aquifer system is represented by nine model layers extending from the water table to the pre-Santa Fe Group basement rocks, as much as 9,000 feet below the NGVD 29. The horizontal grid contains 156 rows and 80 columns, each spaced 3,281 feet (1 kilometer) apart. The model simulates predevelopment steady-state conditions and historical transient conditions from 1900 to March 2000 in 1 steady-state and 52 historical stress periods. Average annual conditions are simulated prior to 1990, and seasonal (winter and irrigation season) conditions are simulated from 1990 to March 2000. The model simulates mountain-front, tributary, and subsurface recharge; canal, irrigation, and septic-field seepage; and ground-water withdrawal as specified-flow boundaries. The model simulates the Rio Grande, riverside drains, Jemez River, Jemez Canyon Reservoir, Cochiti Lake, riparian evapotranspiration, and interior drains as head-dependent flow boundaries. Hydrologic properties representing the Santa Fe Group aquifer system in the ground-water-flow model are horizontal hydraulic conductivity, vertical hydraulic conductivity, specific storage, and specific yield. Variable horizontal anisotropy is applied to the model so that hydraulic conductivity in the north-south direction (along model columns) is greater than hydraulic conductivity in the east-west direction (along model rows) over much of the model. This pattern of horizontal anisotropy was simulated to reflect the generally north-south orientation of faulting over much of the modeled area. With variable horizontal anisotropy, horizontal hydraulic conductivities in the model range from 0.05 to 60 feet per day. Vertical hydraulic conductivity is specified in the model as a horizontal to vertical anisotropy ratio (calculated to be 150:1 in the model) multiplied by the horizontal hydraulic conductivity along rows. Specific storage was estimated to be 2 x 10-6 per foot in the model. Specific yield was estimated to be 0.2 (dimensionless). A ground-water-flow model is a tool that can integrate the complex interactions of hydrologic boundary conditions, aquifer materials
Electroactive polymer and shape memory alloy actuators in biomimetics and humanoids
NASA Astrophysics Data System (ADS)
Tadesse, Yonas
2013-04-01
There is a strong need to replicate natural muscles with artificial materials as the structure and function of natural muscle is optimum for articulation. Particularly, the cylindrical shape of natural muscle fiber and its interconnected structure promote the critical investigation of artificial muscles geometry and implementation in the design phase of certain platforms. Biomimetic robots and Humanoid Robot heads with Facial Expressions (HRwFE) are some of the typical platforms that can be used to study the geometrical effects of artificial muscles. It has been shown that electroactive polymer and shape memory alloy artificial muscles and their composites are some of the candidate materials that may replicate natural muscles and showed great promise for biomimetics and humanoid robots. The application of these materials to these systems reveals the challenges and associated technologies that need to be developed in parallel. This paper will focus on the computer aided design (CAD) models of conductive polymer and shape memory alloys in various biomimetic systems and Humanoid Robot with Facial Expressions (HRwFE). The design of these systems will be presented in a comparative manner primarily focusing on three critical parameters: the stress, the strain and the geometry of the artificial muscle.
NASA Astrophysics Data System (ADS)
Xiang, Hua
Magnetic tunnel junctions (MTJs) have attracted great interest for applications in read heads and nonvolatile magnetic random access memories. MTJs exhibit tunneling magnetoresistance (TMR), which is proportional to the spin polarization (SP) of ferromagnetic (FM) electrodes. This thesis describes the fabrication and characterization of inverse TMR MTJs with novel FM electrodes and tunnel barriers, including Fe3O4 and Fe4N electrodes and Ta2O5 tunnel barriers. Fe3O4 has been predicted to have perfect negative SP at the Fermi level, making it a promising FM electrode for inverse TMR MTJs. Two approaches were developed to grow epitaxial Fe3O 4 films on Si substrates, reactive sputtering and selective oxidation, and the physical properties were characterized. Epitaxial Fe3O 4 films with smooth surfaces were achieved using a TiN buffer and low temperature selective oxidation. Fe4N has also been predicted to have nearly perfect negative SP. Epitaxial Fe4N films were fabricated on Si substrates by reactive sputtering, and the magnetic properties and thermal stability were characterized. Fe4N is metastable with respect to decomposition into Fe and N 2. During room temperature air oxidation, an epitaxial Fe3O 4 layer formed on Fe4N surface, by incorporation of oxygen, decomposition of Fe4N, and release of N. We fabricated Fe4N/AlOx/Fe MTJs and found normal TMR for the as-prepared junction but inverse TMR with abnormal bias dependence after annealing. The TMR inversion is caused by an Fe3O4 layer at the Fe4N/AlO, interface. The abnormal bias dependence is caused by an imperfect Fe3O4/AlOx interface. Fe3O4 (or Fe4N)/Ta2O5/Fe MTJs show relatively low junction resistance and noisy TMR signals, due to the difficulty of preparing high quality Ta2O5 barriers. The effect of composition of bcc Co100-xFex electrodes on the TMR for AlOx-based MTJs has been studied. The TMR increases with x until it reaches a maximum of 66.7% at 28 at.% Fe, and then decreases. The reason for this TMR variation is the s-like electron dominant tunneling and the variation of the s-like electron density of state with different compositions.
Brown, C.J.; Misut, P.E.
2010-01-01
The effects of injecting oxic water from the New York city (NYC) drinking-water supply and distribution system into a nearby anoxic coastal plain aquifer for later recovery during periods of water shortage (aquifer storage and recovery, or ASR) were simulated by a 3-dimensional, reactive-solute transport model. The Cretaceous aquifer system in the NYC area of New York and New Jersey, USA contains pyrite, goethite, locally occurring siderite, lignite, and locally varying amounts of dissolved Fe and salinity. Sediment from cores drilled on Staten Island and western Long Island had high extractable concentrations of Fe, Mn, and acid volatile sulfides (AVS) plus chromium-reducible sulfides (CRS) and low concentrations of As, Pb, Cd, Cr, Cu and U. Similarly, water samples from the Lloyd aquifer (Cretaceous) in western Long Island generally contained high concentrations of Fe and Mn and low concentrations of other trace elements such as As, Pb, Cd, Cr, Cu and U, all of which were below US Environmental Protection Agency (USEPA) and NY maximum contaminant levels (MCLs). In such aquifer settings, ASR operations can be complicated by the oxidative dissolution of pyrite, low pH, and high concentrations of dissolved Fe in extracted water.The simulated injection of buffered, oxic city water into a hypothetical ASR well increased the hydraulic head at the well, displaced the ambient groundwater, and formed a spheroid of injected water with lower concentrations of Fe, Mn and major ions in water surrounding the ASR well, than in ambient water. Both the dissolved O2 concentrations and the pH of water near the well generally increased in magnitude during the simulated 5-a injection phase. The resultant oxidation of Fe2+ and attendant precipitation of goethite during injection provided a substrate for sorption of dissolved Fe during the 8-a extraction phase. The baseline scenario with a low (0.001M) concentration of pyrite in aquifer sediments, indicated that nearly 190% more water with acceptably low concentrations of dissolved Fe could be extracted than was injected. Scenarios with larger amounts of pyrite in aquifer sediments generally resulted in less goethite precipitation, increased acidity, and increased concentrations of dissolved Fe in extracted water. In these pyritic scenarios, the lower amounts of goethite precipitated and the lower pH during the extraction phase resulted in decreased sorption of Fe2+ and a decreased amount of extractable water with acceptably low concentrations of dissolved Fe (5.4??10-6M). A linear decrease in recovery efficiency with respect to dissolved Fe concentrations is caused by pyrite dissolution and the associated depletion of dissolved O2 (DO) and increase in acidity. Simulations with more than 0.0037M of pyrite, which is the maximum amount dissolved in the baseline scenario, had just over a 50% recovery efficiency. The precipitation of ferric hydroxide minerals (goethite) at the well screen, and a possible associated decrease in specific capacity of the ASR well, was not apparent during the extraction phase of ASR simulations, but the model does not incorporate the microbial effects and biofouling associated with ferric hydroxide precipitation.The host groundwater chemistry in calcite-poor Cretaceous aquifers of the NYC area consists of low alkalinity and moderate to low pH. The dissolution of goethite in scenarios with unbuffered injectate indicates that corrosion of the well could occur if the injectate is not buffered. Simulations with buffered injectate resulted in greater precipitation of goethite, and lower concentrations of dissolved Fe, in the extracted water. Dissolved Fe concentrations in extracted water were highest in simulations of aquifers (1) in which pyrite and siderite in the aquifer were in equilibrium, and (2) in coastal areas affected by saltwater intrusion, where high dissolved-cation concentrations provide a greater exchange of Fe2+ (FeX2). Results indicate that ASR in pyrite-beari
da Silva, Cícera Simoni; de Cássia Gonçalves de Lima, Rita; Elekofehinti, Olusola Olalekan; Ogunbolude, Yetunde; Duarte, Antonia Eliene; Rocha, João Batista Teixeira; Alencar de Menezes, Irwin Rose; Barros, Luiz Marivando; Tsopmo, Appolinaire; Lukong, Kiven Erique; Kamdem, Jean Paul
2018-02-25
The effects of caffeine supplementation is well documented in conventional animal models, however, in the lobster cockroaches Nauphoeta cinerea, they have not been reported. Thus, the aim of this study was to investigate the locomotor behavior and biochemical endpoints in the head of the nymphs of N. cinerea following 60 days exposure to food supplemented with 0, 0.5, 1.0, 2.5, 5.0 and 10.0 mg of caffeine/g of diet. The analysis of the locomotor behavior using the video-tracking software, Any-maze, for 12 min revealed that caffeine supplementation caused significant behavioral improvement. There was increase in distance travelled, velocity, frequency of rotation and turn angle (stereotypical behavior such as circling movements), and this was supported by the representative track plots of the path travelled by cockroaches in the open-field arena. In addition, caffeine supplementation markedly increased total thiol and non-protein thiol glutathione (GSH) levels in the heads of cockroaches, and this was in parallel with significant reduction of lipid peroxidation and free Fe(II) content. Taking together, our results indicate that long-term caffeine supplementation may exert preventive effects against oxidative stress and support the use of N. cinerea as an efficient alternative model to assess the efficacy of food molecules. Copyright © 2018 Elsevier B.V. All rights reserved.
Gaewsky, James P; Weaver, Ashley A; Koya, Bharath; Stitzel, Joel D
2015-01-01
A 3-phase real-world motor vehicle crash (MVC) reconstruction method was developed to analyze injury variability as a function of precrash occupant position for 2 full-frontal Crash Injury Research and Engineering Network (CIREN) cases. Phase I: A finite element (FE) simplified vehicle model (SVM) was developed and tuned to mimic the frontal crash characteristics of the CIREN case vehicle (Camry or Cobalt) using frontal New Car Assessment Program (NCAP) crash test data. Phase II: The Toyota HUman Model for Safety (THUMS) v4.01 was positioned in 120 precrash configurations per case within the SVM. Five occupant positioning variables were varied using a Latin hypercube design of experiments: seat track position, seat back angle, D-ring height, steering column angle, and steering column telescoping position. An additional baseline simulation was performed that aimed to match the precrash occupant position documented in CIREN for each case. Phase III: FE simulations were then performed using kinematic boundary conditions from each vehicle's event data recorder (EDR). HIC15, combined thoracic index (CTI), femur forces, and strain-based injury metrics in the lung and lumbar vertebrae were evaluated to predict injury. Tuning the SVM to specific vehicle models resulted in close matches between simulated and test injury metric data, allowing the tuned SVM to be used in each case reconstruction with EDR-derived boundary conditions. Simulations with the most rearward seats and reclined seat backs had the greatest HIC15, head injury risk, CTI, and chest injury risk. Calculated injury risks for the head, chest, and femur closely correlated to the CIREN occupant injury patterns. CTI in the Camry case yielded a 54% probability of Abbreviated Injury Scale (AIS) 2+ chest injury in the baseline case simulation and ranged from 34 to 88% (mean = 61%) risk in the least and most dangerous occupant positions. The greater than 50% probability was consistent with the case occupant's AIS 2 hemomediastinum. Stress-based metrics were used to predict injury to the lower leg of the Camry case occupant. The regional-level injury metrics evaluated for the Cobalt case occupant indicated a low risk of injury; however, strain-based injury metrics better predicted pulmonary contusion. Approximately 49% of the Cobalt occupant's left lung was contused, though the baseline simulation predicted 40.5% of the lung to be injured. A method to compute injury metrics and risks as functions of precrash occupant position was developed and applied to 2 CIREN MVC FE reconstructions. The reconstruction process allows for quantification of the sensitivity and uncertainty of the injury risk predictions based on occupant position to further understand important factors that lead to more severe MVC injuries.
The Effect of Interface Texture on Exchange Biasing in Ni(80)Fe(20)/Ir(20)Mn(80) System.
Chen, Yuan-Tsung
2009-01-01
Exchange-biasing phenomenon can induce an evident unidirectional hysteresis loop shift by spin coupling effect in the ferromagnetic (FM)/antiferromagnetic (AFM) interface which can be applied in magnetoresistance random access memory (MRAM) and recording-head applications. However, magnetic properties are the most important to AFM texturing. In this work, top-configuration exchange-biasing NiFe/IrMn(x A) systems have been investigated with three different conditions. From the high-resolution cross-sectional transmission electron microscopy (HR X-TEM) and X-ray diffraction results, we conclude that the IrMn (111) texture plays an important role in exchange-biasing field (H(ex)) and interfacial exchange energy (J(k)). H(ex) and J(k) tend to saturate when the IrMn thickness increases. Moreover, the coercivity (H(c)) dependence on IrMn thickness is explained based on the coupling or decoupling effect between the spins of the NiFe and IrMn layers near the NiFe/IrMn interface. In this work, the optimal values for H(ex) and J(k) are 115 Oe and 0.062 erg/cm(2), respectively.
The Impact of Ocular Pressures, Material Properties and Geometry on Optic Nerve Head Deformation
NASA Technical Reports Server (NTRS)
Feola, Andrew J.; Myers, Jerry G.; Raykin, Julia; Nelson, Emily S.; Samuels, Brian C.; Ethier C. Ross
2017-01-01
Alteration in intracranial pressure (ICP) has been associated with various diseases that cause visual impairment, including glaucoma, idiopathic intracranial hypertension and Visual Impairment and Intracranial Pressure (VIIP) syndrome. However, how changes in ICP lead to vision loss is unclear, although it is hypothesized to involve deformations of the tissues in the optic nerve head (ONH). Recently, understanding the effect of ICP alterations on ocular tissues has become a major concern for NASA, where 42 of astronauts that partake in long duration space missions suffer from VIIP syndrome. Astronauts with VIIP syndrome suffer from visual impairment and changes in ocular anatomy that persist after returning to earth (1). It is hypothesized that the cephalad fluid shift that occurs upon entering microgravity increases ICP, which leads to an altered biomechanical environment in the posterior globe and optic nerve sheath, and subsequently VIIP syndrome. Our goal was to develop a finite element (FE) model to simulate the acute effects of elevated ICP on the posterior eye. Here, we simulated how inter-individual differences affect the deformation of ONH tissues. Further, we examined how several different geometries influenced deformations when exposed to elevated ICP.
NASA Astrophysics Data System (ADS)
Santos, Tiffany; Jain, Shikha; Hirotsune, Akemi; Hellwig, Olav
2015-03-01
MgO is the underlayer material of choice for granular FePt thin film media for heat assisted magnetic recording, because MgO (001) seeds L10-ordered FePt with c-axis perpendicular to the film plane and high perpendicular magnetic anisotropy. MgO is also an effective diffusion barrier between the FePt grains and the metallic underlayers beneath the MgO. However, there are possible concerns associated with using MgO in the media structure. MgO is highly sensitive to moisture, and hydration of MgO could potentially degrade film properties. In addition, many particulates are incorporated into the film during the RF-sputter process, which can be sources of delamination, pinholes and damage to the low-flying recording heads. TiN is an attractive alternative to MgO because it is chemically and mechanically robust, and TiN can be DC-sputtered, which produces fewer particles and has a faster deposition rate. Even though TiN has the same rocksalt crystal structure and lattice constant as MgO, the higher surface energy of TiN causes more wetting of the FePt grains on the TiN surface. As a result, deposition of granular FePt on TiN most often produces inter-connected, worm-like grains with low coercivity. We will show that by optimizing the deposition of FePt and segregant material on the TiN underlayer, we are able to fabricate FePt media with well-isolated grains and high coercivity reaching nearly 4 Tesla. In addition, the FePt has excellent structural properties with a high degree of L10 atomic ordering and minimal c-axis in-plane oriented grains.
2004-12-01
likely Longbeak beaksedge Rhynchospora scirpoides SSC Possible Mohr’s thoroughwort Eupatorium mohrii SSC Not likely A petunia Reullia caroliniensis...SCIRPOIDES LONG-BEAKED BALDRUSH sc G5T3T4 S? RUELLIA CAROLINIENSIS SSP CILIOSA A PETUNIA sc G4? S2 SAGITTARIA ISOETIFORMIS SLENDER ARROW-HEAD FE
NASA Astrophysics Data System (ADS)
Seo, Hyeon; Kim, Donghyeon; Jun, Sung Chan
2016-06-01
Electrical brain stimulation (EBS) is an emerging therapy for the treatment of neurological disorders, and computational modeling studies of EBS have been used to determine the optimal parameters for highly cost-effective electrotherapy. Recent notable growth in computing capability has enabled researchers to consider an anatomically realistic head model that represents the full head and complex geometry of the brain rather than the previous simplified partial head model (extruded slab) that represents only the precentral gyrus. In this work, subdural cortical stimulation (SuCS) was found to offer a better understanding of the differential activation of cortical neurons in the anatomically realistic full-head model than in the simplified partial-head models. We observed that layer 3 pyramidal neurons had comparable stimulation thresholds in both head models, while layer 5 pyramidal neurons showed a notable discrepancy between the models; in particular, layer 5 pyramidal neurons demonstrated asymmetry in the thresholds and action potential initiation sites in the anatomically realistic full-head model. Overall, the anatomically realistic full-head model may offer a better understanding of layer 5 pyramidal neuronal responses. Accordingly, the effects of using the realistic full-head model in SuCS are compelling in computational modeling studies, even though this modeling requires substantially more effort.
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.
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
Stayton, C Tristan
2009-05-01
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.
NASA Astrophysics Data System (ADS)
Saha, Atanu K.; Datta, Suman; Gupta, Sumeet K.
2018-03-01
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.
Moran, Stephan G; Key, Jason S; McGwin, Gerald; Keeley, Jason W; Davidson, James S; Rue, Loring W
2004-07-01
Head injury is a significant cause of both morbidity and mortality. Motor vehicle collisions (MVCs) are the most common source of head injury in the United States. No studies have conclusively determined the applicability of computer models for accurate prediction of head injuries sustained in actual MVCs. This study sought to determine the applicability of such models for predicting head injuries sustained by MVC occupants. The Crash Injury Research and Engineering Network (CIREN) database was queried for restrained drivers who sustained a head injury. These collisions were modeled using occupant dynamic modeling (MADYMO) software, and head injury scores were generated. The computer-generated head injury scores then were evaluated with respect to the actual head injuries sustained by the occupants to determine the applicability of MADYMO computer modeling for predicting head injury. Five occupants meeting the selection criteria for the study were selected from the CIREN database. The head injury scores generated by MADYMO were lower than expected given the actual injuries sustained. In only one case did the computer analysis predict a head injury of a severity similar to that actually sustained by the occupant. Although computer modeling accurately simulates experimental crash tests, it may not be applicable for predicting head injury in actual MVCs. Many complicating factors surrounding actual MVCs make accurate computer modeling difficult. Future modeling efforts should consider variables such as age of the occupant and should account for a wider variety of crash scenarios.
NASA Astrophysics Data System (ADS)
Ding, Lei; Lai, Yuan; He, Bin
2005-01-01
It is of importance to localize neural sources from scalp recorded EEG. Low resolution brain electromagnetic tomography (LORETA) has received considerable attention for localizing brain electrical sources. However, most such efforts have used spherical head models in representing the head volume conductor. Investigation of the performance of LORETA in a realistic geometry head model, as compared with the spherical model, will provide useful information guiding interpretation of data obtained by using the spherical head model. The performance of LORETA was evaluated by means of computer simulations. The boundary element method was used to solve the forward problem. A three-shell realistic geometry (RG) head model was constructed from MRI scans of a human subject. Dipole source configurations of a single dipole located at different regions of the brain with varying depth were used to assess the performance of LORETA in different regions of the brain. A three-sphere head model was also used to approximate the RG head model, and similar simulations performed, and results compared with the RG-LORETA with reference to the locations of the simulated sources. Multi-source localizations were discussed and examples given in the RG head model. Localization errors employing the spherical LORETA, with reference to the source locations within the realistic geometry head, were about 20-30 mm, for four brain regions evaluated: frontal, parietal, temporal and occipital regions. Localization errors employing the RG head model were about 10 mm over the same four brain regions. The present simulation results suggest that the use of the RG head model reduces the localization error of LORETA, and that the RG head model based LORETA is desirable if high localization accuracy is needed.
3D Computer Models of T- x- y Diagrams, Forming the Fe-Ni-Co-FeS-NiS-CoS Subsystem
NASA Astrophysics Data System (ADS)
Lutsyk, V. I.; Vorob'eva, V. P.
2017-12-01
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.
NASA Astrophysics Data System (ADS)
González-Dávila, M.; Samperio-Ramos, G.; Santana-Casiano, J. M.; Gonzallez, A. G.; Pérez-Almeida, N.
2016-12-01
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.
Ahmad, Farooq; Liu, Xiaoyi; Zhou, Ying; Yao, Hongzhou; Zhao, Fangfang; Ling, Zhaoxing; Xu, Chao
2016-12-01
Fascinating super paramagnetic uniqueness of iron oxide particles at nano-scale level make them extremely useful in the state of the art therapies, equipments, and techniques. Cobalt ferrite (CoFe 2 O 4 ) magnetic nanoparticles (MNPs) are extensively used in nano-based medicine and electronics, results in extensive discharge and accumulation into the environment. However, very limited information is available for their endocrine disrupting potential in aquatic organisms. In this study, the thyroid endocrine disrupting ability of CoFe 2 O 4 NPs in Zebrafish larvae for 168-h post fertilization (hpf) was evaluated. The results showed the elevated amounts of T4 and T3 hormones by malformation of hypothalamus pituitary axis in zebrafish larvae. These elevated levels of whole body THs leads to delayed hatching, head and eye malformation, arrested development, and alterations in metabolism. The influence of THs disruption on ROS production and change in activities of catalase (CAT), mu-glutathione s-transferase (mu-GST), and acid phosphatase (AP) were also studied. The production of significantly higher amounts of in vivo generation of ROS leads to membrane damage and oxidative stress. Presences of NPs and NPs agglomerates/aggregates were also the contributing factors in mechanical damaging the membranes and physiological structure of thyroid axis. The increased activities of CAT, mu-GST, and AP confirmed the increased oxidative stress, possible DNA, and metabolic alterations, respectively. The excessive production of in vivo ROS leads to severe apoptosis in head, eye, and heart region confirming that malformation leads to malfunctioning of hypothalamus pituitary axis. ROS-induced oxidative DNA damage by formation of 8-OHdG DNA adducts elaborates the genotoxicity potential of CoFe 2 O 4 NPs. This study will help us to better understand the risk and assessment of endocrine disrupting potential of nanoparticles. © 2015 Wiley Periodicals, Inc. Environ Toxicol 31: 2068-2080, 2016. © 2015 Wiley Periodicals, Inc.
Naz, Gul Jabeen; Dong, Dandan; Geng, Yaoxiang; Wang, Yingmin; Dong, Chuang
2017-08-22
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.
A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts
NASA Astrophysics Data System (ADS)
Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho
2016-04-01
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.
NASA Technical Reports Server (NTRS)
Johnson, M. S.; Meskhidze, N.
2013-01-01
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.
Ghosh, Saikat; Pradhan, Nihar R; Mashayekhi, Hamid; Zhang, Qiu; Pan, Bo; Xing, Baoshan
2016-12-01
Environmental mobility of C 60 fullerene can be significantly affected in the presence of naturally abundant α-FeOOH. However, α-FeOOH vary significantly in sizes, shapes and associated properties that can greatly influence the fate and transport of C 60 fullerene in environmental media. Therefore, colloidal hetero-association between well crystallized low aspect (L Asp ) α-FeOOH and nC 60 fullerene may differ substantially to weakly crystallized high-aspect (H Asp ) counterpart. In contrast to L Asp α-FeOOH, inherent crystal defects and surface charge generation in H Asp α-FeOOH facilitated strong Coulombic attraction and aggregation with fullerene in acidic pH. However, L Asp α-FeOOH demonstrated subtle entropic depletion mediated interaction with fullerene prevalent in hard rods. Humic acid (HA) encapsulation of H Asp α-FeOOH substantially blocked fullerene attachment. Minute enhancement in colloidal stability was detected for HA-coated H Asp α-FeOOH and fullerene mixture to HA-coated H Asp α-FeOOH alone. To investigate the interfacial assembly of α-FeOOH with fullerene "in situ" differential interference contrast (DIC) microscopic investigations were employed. This study showed significantly different interface behavior of the binary mixtures of fullerene and H Asp α-FeOOH NPs, and L Asp particles. On air-water interface, bare H Asp α-FeOOH displayed liquid crystalline packing. However, addition of fullerene to H Asp α-FeOOH suspension at pH5 produced closed-loop polygonal and circular ring structures. Head-to-tail alignment of magnetic dipoles as well as fullerene hydrophobicity facilitated such assembly formation. "Ex situ" AFM investigation revealed further the presence of magnetically derived ring structure which asserts that the formed "in situ" ensembles were not transient, hence, may abate fullerene transport through environmental interfaces. Barring hydrophobicity assisted attachment of fullerene to L Asp α-FeOOHs, the absence of any close-packed structures may unlikely abate fullerene transport as envisaged in case of H Asp α-FeOOH. Thus, aspect ratio variation and associated material properties of naturally abundant α-FeOOH may significantly impact fullerene transport through environmental media. Copyright © 2016 Elsevier Ltd. All rights reserved.
Reduction of Fe(III) colloids by Shewanella putrefaciens: A kinetic model
NASA Astrophysics Data System (ADS)
Bonneville, Steeve; Behrends, Thilo; van Cappellen, Philippe; Hyacinthe, Christelle; Röling, Wilfred F. M.
2006-12-01
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.
Spin-filter specular spin valves
NASA Astrophysics Data System (ADS)
Lu, Z. Q.; Pan, G.; Jibouri, A. A.; Zheng, Yaunkai
2002-01-01
Both a thin free layer and high magnetoresistance (MR) ratio are required in spin valves for high magnetic density recording heads. In traditional spin valve structures, reducing the free layer normally results in a reduction in MR. We report here on a spin-filter specular spin valve with structure Ta 3.5 nm/NiFe 2 nm/IrMn 6 nm/CoFe 1.5 nm/Nol/CoFe 2 nm/Cu 2.2 nm/CoFe tF/Cu tSF/Nol2/Ta 3 nm, which is demonstrated to maintain MR ratio higher than 12% even when the CoFe free layer is reduced to 1 nm. The semiclassical Boltzmann transport equation was used to simulate MR ratio. An optimized MR ratio of ˜14.5% was obtained when tF was about 1.5 nm and tSF about 1.0 nm as a result of the balance between the increase in electron mean free path difference and current shunting through conducting layer. It is found that the Cu enhancing layer not only enhances the MR ratio but also improves soft magnetic properties of CoFe free layer due to the low atomic intermixing observed between Co and Cu. The CoFe free layer of 1-4 nm exhibits a low coercivity of ˜3 Oe even after annealing at 270 °C for 7 h in a field of 1 kOe. Furthermore, the interlayer coupling field Hint between free layer and pinned layer can be controlled by balancing the Rudermann-Kittel-(Kasuya)-Yosida and magnetostatic coupling. Such a thin soft CoFe free layer is particularly attractive for high density read sensor application.
Probabilistic Modeling Of Ocular Biomechanics In VIIP: Risk Stratification
NASA Technical Reports Server (NTRS)
Feola, A.; Myers, J. G.; Raykin, J.; Nelson, E. S.; Mulugeta, L.; Samuels, B.; Ethier, C. R.
2016-01-01
Visual Impairment and Intracranial Pressure (VIIP) syndrome is a major health concern for long-duration space missions. Currently, it is thought that a cephalad fluid shift in microgravity causes elevated intracranial pressure (ICP) that is transmitted along the optic nerve sheath (ONS). We hypothesize that this in turn leads to alteration and remodeling of connective tissue in the posterior eye which impacts vision. Finite element (FE) analysis is a powerful tool for examining the effects of mechanical loads in complex geometries. Our goal is to build a FE analysis framework to understand the response of the lamina cribrosa and optic nerve head to elevations in ICP in VIIP. To simulate the effects of different pressures on tissues in the posterior eye, we developed a geometric model of the posterior eye and optic nerve sheath and used a Latin hypercubepartial rank correlation coef-ficient (LHSPRCC) approach to assess the influence of uncertainty in our input parameters (i.e. pressures and material properties) on the peak strains within the retina, lamina cribrosa and optic nerve. The LHSPRCC approach was repeated for three relevant ICP ranges, corresponding to upright and supine posture on earth, and microgravity [1]. At each ICP condition we used intraocular pressure (IOP) and mean arterial pressure (MAP) measurements of in-flight astronauts provided by Lifetime Surveillance of Astronaut Health Program, NASA Johnson Space Center. The lamina cribrosa, optic nerve, retinal vessel and retina were modeled as linear-elastic materials, while other tissues were modeled as a Mooney-Rivlin solid (representing ground substance, stiffness parameter c1) with embedded collagen fibers (stiffness parameters c3, c4 and c5). Geometry creationmesh generation was done in Gmsh [2], while FEBio was used for all FE simulations [3]. The LHSPRCC approach resulted in correlation coefficients in the range of 1. To assess the relative influence of the uncertainty in an input parameter on the peak strains, we ranked and then normalized these coefficients, considering that normalized values 0.5 implied a substantial influence on the range of the peak strains in the optic nerve head (ONH). IOP and ICP were found to have a major influence on the peak strains in the ONH, as did optic nerve and LC stiffness. Interestingly, the stiffness of the sclera far from the scleral canal did not have a large influence on peak strains in ONH tissues; however, the collagen fiber stiffness in the peripapillary sclera and annular ring both influenced the peak strains within the ONH. We have created a physiologically relevant model that incorporated collagen fibers to study the effects of elevated ICP. Elevated ICP resulted in strains in the optic nerve that are not predicted to occur on earth: the upright or supine conditions. We found that IOP, ICP, lamina cribrosa stiffness and optic nerve stiffness had the highest association with these extreme strains in the ONH. These extreme strains may activate mechanosensitive cells that induce tissue remodeling and are a risk factor for the development of VIIP.
Beard, Brian B; Kainz, Wolfgang; Onishi, Teruo; Iyama, Takahiro; Watanabe, Soichi; Fujiwara, Osamu; Wang, Jianqing; Bit-Babik, Giorgi; Faraone, Antonio; Wiart, Joe; Christ, Andreas; Kuster, Niels; Lee, Ae-Kyoung; Kroeze, Hugo; Siegbahn, Martin; Keshvari, Jafar; Abrishamkar, Houman; Simon, Winfried; Manteuffel, Dirk; Nikoloski, Neviana
2006-06-05
The specific absorption rates (SAR) determined computationally in the specific anthropomorphic mannequin (SAM) and anatomically correct models of the human head when exposed to a mobile phone model are compared as part of a study organized by IEEE Standards Coordinating Committee 34, SubCommittee 2, and Working Group 2, and carried out by an international task force comprising 14 government, academic, and industrial research institutions. The detailed study protocol defined the computational head and mobile phone models. The participants used different finite-difference time-domain software and independently positioned the mobile phone and head models in accordance with the protocol. The results show that when the pinna SAR is calculated separately from the head SAR, SAM produced a higher SAR in the head than the anatomically correct head models. Also the larger (adult) head produced a statistically significant higher peak SAR for both the 1- and 10-g averages than did the smaller (child) head for all conditions of frequency and position.
Salamon, J; Sathishkumar, Y; Ramachandran, K; Lee, Yang Soo; Yoo, Dong Jin; Kim, Ae Rhan; Gnana Kumar, G
2015-02-15
Magnetite (Fe3O4) nanorods anchored over reduced graphene oxide (rGO) were synthesized through a one-pot synthesis method, where the reduction of GO and in-situ generation of Fe3O4 nanorods occurred concurrently. The average head and tail diameter of Fe3O4 nanorods anchored over the rGO matrix are found to be 32 and 11 nm, respectively, and morphology, structure and diameter of bare Fe3O4 nanorods were not altered even after the composite formation with rGO. The increased structural disorders and decrement in the sp(2) domains stimulated the high electrical conductivity and extended catalytic active sites for the prepared rGO/Fe3O4 nanocomposite. The constructed rGO/Fe3O4/GCE sensor exhibited excellent electrocatalytic activity toward the electrooxidation of dopamine (DA) with a quick response time of 6s, a wide linear range between 0.01 and 100.55 µM, high sensitivity of 3.15 µA µM(-1) cm(-2) and a lower detection limit of 7 nM. Furthermore, the fabricated sensor exhibited a practical applicability in the quantification of DA in urine samples with an excellent recovery rate. The excellent electroanalytical performances and straight-forward, surfactant and template free preparation method construct the rGO/Fe3O4 composite as an extremely promising material for the diagnosis of DA related diseases in biomedical applications. Copyright © 2014 Elsevier B.V. All rights reserved.
The anthropogenic influence on Iron deposition over the oceans: a 3-D global modeling
NASA Astrophysics Data System (ADS)
Myriokefalitakis, Stelios; Mihalopoulos, Nikos; Baker, Alex; Kanakidou, Maria
2014-05-01
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).
Thermodynamic and kinetic modeling of grain boundary equilibrium segregation of P in α-Fe
Yang, Y.; Chen, S. -L.
2017-04-18
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
Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe, and FeTe
NASA Astrophysics Data System (ADS)
Nakamura, Kazuma; Miyake, Takashi; Arita, Ryotaro; Imada, Masatoshi
2010-03-01
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.
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.
Wu, Kun; Liu, Rui-Ping; Liu, Hui-Juan; Lan, Hua-Chun; Qu, Jiu-Hui
2012-11-15
Field studies were conducted to evaluate the feasibility of an in situ formed Fe-Mn binary oxide (in situ FMBO) for improving arsenic (As) removal in the aeration-direct filtration process. The transformation and transportation of As, Fe, and Mn in the filter bed were also investigated. The in situ FMBO increased the As removal efficiency by 20-50% to keep the residual As below 10 μg/L. The optimum FMBO dosage was determined to be 0.55 mg/L with the Fe/Mn ratio as 10:1. The removal of Fe, Mn, turbidity, and particles was also improved to a large extent. The in situ FMBO favored the transformation of soluble As, Fe, and Mn into the solid phases, benefiting the removal of these pollutants by the subsequent filtration. Moreover, the deposited precipitates onto the filter media were characterized, as indicated by the analyses of SEM/EDS and particle size distribution. The long-term experiments exhibited decreased head loss growth and prolonged run length, suggesting an enhanced pollutant catching capacity of the filter media. The full-scale field study with a flow of 10,000 m3/d confirmed positive effects of in situ FMBO on As removal, with the average effluent As concentration reduced from 20 μg/L to 6 μg/L (reagent cost=0.006 ¥/m3). Copyright © 2012 Elsevier B.V. All rights reserved.
Definitive identification of magnetite nanoparticles in the abdomen of the honeybee Apis mellifera
NASA Astrophysics Data System (ADS)
Desoil, M.; Gillis, P.; Gossuin, Y.; Pankhurst, Q. A.; Hautot, D.
2005-01-01
The biogenic magnetic properties of the honeybee Apis mellifera were investigated with a view to understanding the bee's physiological response to magnetic fields. The magnetisations of bee abdomens on one hand, and heads and thoraxes on the other hand, were measured separately as functions of temperature and field. Both the antiferromagnetic responses of the ferrihydrite cores of the iron storage protein ferritin, and the ferrimagnetic responses of nanoscale magnetite (Fe3O4) particles, were observed. Relatively large magnetite particles (ca. 30 nm or more), capable of retaining a remanent magnetisation at room temperature, were found in the abdomens, but were absent in the heads and thoraxes. In both samples, more than 98% of the iron atoms were due to ferritin.
Pyroclastic Deposits in the Floor-fractured Crater Alphonsus
NASA Technical Reports Server (NTRS)
Allen, Carlton C.; Donaldson-Hanna, Kerri L.; Pieters, Carle M.; Moriarty, Daniel P.; Greenhagen, Benjamin T.; Bennett, Kristen A.; Kramer, Georgiana Y.; Paige, David A.
2013-01-01
Alphonsus, the 118 km diameter floor-fractured crater, is located immediately east of Mare Nubium. Eleven pyroclastic deposits have been identified on the crater's floor. Early telescopic spectra suggest that the floor of Alphonsus is noritic, and that the pyroclastic deposits contain mixtures of floor material and a juvenile component including basaltic glass. Head and Wilson contend that Nubium lavas intruded the breccia zone beneath Alphonsus, forming dikes and fractures on the crater floor. In this model, the magma ascended to the level of the mare but cooled underground, and a portion broke thru to the surface in vulcanian (explosive) eruptions. Alternatively, the erupted material could be from a source unrelated to the mare, in the style of regional pyroclastic deposits. High-resolution images and spectroscopy from the Moon Mineralogy Mapper (M3), Diviner Lunar Radiometer, and Lunar Reconnaissance Orbiter Camera Narrow Angle Camera (NAC) provide data to test these formation models. Spectra from M3 confirm that the crater floor is primarily composed of noritic material, and that the Nubium lavas are basaltic. Spectra from the three largest pyroclastic deposits in Alphonsus are consistent with a minor low- Ca pyroxene component in a glass-rich matrix. The centers of the 2 micron absorption bands have wavelengths too short to be of the same origin as the Nubium basalts. Diviner Christiansen feature (CF) values were used to estimate FeO abundances for the crater floor, Nubium soil, and pyroclastic deposits. The estimated abundance for the crater floor (7.5 +/- 1.4 wt.%) is within the range of FeO values for Apollo norite samples. However, the estimated FeO abundance for Nubium soil (13.4 +/- 1.4 wt.%) is lower than those measured in most mare samples. The difference may reflect contamination of the mare soil by highland ejecta. The Diviner-derived FeO abundance for the western pyroclastic deposit is 13.8 +/- 3.3 wt.%. This is lower than the values for mare soil samples, but within the range of analyzed pyroclastic glasses. The NAC images of the pyroclastic vents highlight their bright wall materials. The M3 spectra of the southeastern vent indicate that this bright material is noritic, likely crater floor material exposed by explosive eruption. These observations address the hypothesis that Nubium lavas intruded the fracture network beneath Alphonsus, leading to localized vulcanian-style eruptions. This model implies that the eruption products should be dominated by crystalline basalt fragments similar in elemental composition and mineralogy to mare lavas. The bright noritic material exposed in the vent walls is consistent with explosive eruptions. The estimated FeO abundances for the pyroclastic deposits are too low to be consistent with FeO abundances measured in mare basalts, but are within the range of pyroclastic glass samples. The visible- to near-infrared (VIS-NIR) spectra of the pyroclastic deposits and Nubium soils are significantly different, suggesting that the pyroclastics are unrelated to the mare basalts. The pyroclastic spectra are consistent with Fe-bearing glass plus small amounts of noritic wall rock. Similar glassy materials dominate regional pyroclastic deposits, suggesting a deep source for the pyroclastics observed in Alphonsus.
Calibration under uncertainty for finite element models of masonry monuments
DOE Office of Scientific and Technical Information (OSTI.GOV)
Atamturktur, Sezer,; Hemez, Francois,; Unal, Cetin
2010-02-01
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
Dithiolato-bridged nickel-iron complexes as models for the active site of [NiFe]-hydrogenases.
Song, Li-Cheng; Yang, Xi-Yue; Cao, Meng; Gao, Xiu-Yun; Liu, Bei-Bei; Zhu, Liang; Jiang, Feng
2017-03-30
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.
Imaging cerebral haemorrhage with magnetic induction tomography: numerical modelling.
Zolgharni, M; Ledger, P D; Armitage, D W; Holder, D S; Griffiths, H
2009-06-01
Magnetic induction tomography (MIT) is a new electromagnetic imaging modality which has the potential to image changes in the electrical conductivity of the brain due to different pathologies. In this study the feasibility of detecting haemorrhagic cerebral stroke with a 16-channel MIT system operating at 10 MHz was investigated. The finite-element method combined with a realistic, multi-layer, head model comprising 12 different tissues, was used for the simulations in the commercial FE package, Comsol Multiphysics. The eddy-current problem was solved and the MIT signals computed for strokes of different volumes occurring at different locations in the brain. The results revealed that a large, peripheral stroke (volume 49 cm(3)) produced phase changes that would be detectable with our currently achievable instrumentation phase noise level (17 m degrees ) in 70 (27%) of the 256 exciter/sensor channel combinations. However, reconstructed images showed that a lower noise level than this, of 1 m degrees , was necessary to obtain good visualization of the strokes. The simulated MIT measurements were compared with those from an independent transmission-line-matrix model in order to give confidence in the results.
Mitin, D; Kovacs, A; Schrefl, T; Ehresmann, A; Holzinger, D; Albrecht, M
2018-08-31
Magnetic stray fields generated by domain walls (DWs) have attracted significant attention as they might be employed for precise positioning and active control of micro- and nano-sized magnetic objects in fluids or in the field of magnonics. The presented work intends to investigate the near-field response of magnetic stray field landscapes above generic types of charged DWs as occurring in thin films with in-plane anisotropy and preferential formation of Néel type DWs when disturbed by external magnetic fields. For this purpose, artificial magnetic stripe domain patterns with three defined domain configurations, i.e. head-to-head (tail-to-tail), head-to-side, and side-by-side, were fabricated via ion bombardment induced magnetic patterning of an exchange-biased IrMn/CoFe bilayer. The magnetic stray field landscapes as well as the local magnetization reversal of the various domain configurations were analyzed in an external magnetic field by scanning magnetoresistive microscopy and compared to micromagnetic simulations.
Structural and functional studies of bioobjects prepared from femoral heads
NASA Astrophysics Data System (ADS)
Kirilova, I. A.; Sharkeev, Yu. P.; Podorozhnaya, V. T.; Popova, K. S.; Uvarkin, P. V.
2015-11-01
Results of examination of physicomechanical characteristics of samples of medial femoral head cuts are presented. The samples of medial femoral head cuts resected in 6 patients with coxarthrosis in primary endoprosthetic replacement of a coxofemoral joint have been tested for micro- and nanohardness. Young's modulus and elemental composition of bone tissue have been investigated. To estimate the architectonics of cancellous tissue of the femoral head, adjacent cuts of the same patient have been analyzed. The porosity of bone tissue was estimated from macroscopic images obtained using macrophotography. The total porosity is calculated as the ratio of the total length of straight line segments overlapping pores to the total length of secants. A three-point bending test of the samples has shown that their strength changed from 0.187 to 1.650 MPa and their elasticity modulus changes from 1.69 to 8.15 MPa. The microhardness of the samples changes in the range 220-265 MPa and the average microhardness of medial femoral head cuts is 240 MPa. The elemental composition of medial femoral head cuts is represented by basic Ca, P, O, Na and Mg elements as well as by Sn, S, Fe, Cr, and C in microamounts. The atomic Ca to P ratio for bone tissue is 1.55. It is revealed that pores of the upper part of the femoral head have a more regular shape and in the lower part they are more elongated along the cut and occupy a larger volume. The lower part of the femoral head has a higher porosity (39 and 33%) than the upper part (34 and 30%). The total porosity of all samples does not exceed 37%.
Structural and functional studies of bioobjects prepared from femoral heads
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kirilova, I. A., E-mail: IKirilova@niito.ru; Podorozhnaya, V. T., E-mail: VPodorognaya@niito.ru; Sharkeev, Yu. P., E-mail: sharkeev@ispms.tsc.ru
2015-11-17
Results of examination of physicomechanical characteristics of samples of medial femoral head cuts are presented. The samples of medial femoral head cuts resected in 6 patients with coxarthrosis in primary endoprosthetic replacement of a coxofemoral joint have been tested for micro- and nanohardness. Young’s modulus and elemental composition of bone tissue have been investigated. To estimate the architectonics of cancellous tissue of the femoral head, adjacent cuts of the same patient have been analyzed. The porosity of bone tissue was estimated from macroscopic images obtained using macrophotography. The total porosity is calculated as the ratio of the total length ofmore » straight line segments overlapping pores to the total length of secants. A three-point bending test of the samples has shown that their strength changed from 0.187 to 1.650 MPa and their elasticity modulus changes from 1.69 to 8.15 MPa. The microhardness of the samples changes in the range 220–265 MPa and the average microhardness of medial femoral head cuts is 240 MPa. The elemental composition of medial femoral head cuts is represented by basic Ca, P, O, Na and Mg elements as well as by Sn, S, Fe, Cr, and C in microamounts. The atomic Ca to P ratio for bone tissue is 1.55. It is revealed that pores of the upper part of the femoral head have a more regular shape and in the lower part they are more elongated along the cut and occupy a larger volume. The lower part of the femoral head has a higher porosity (39 and 33%) than the upper part (34 and 30%). The total porosity of all samples does not exceed 37%.« less
Carlsson, Anna; Chang, Fred; Lemmen, Paul; Kullgren, Anders; Schmitt, Kai-Uwe; Linder, Astrid; Svensson, Mats Y
2014-01-01
Whiplash-associated disorders (WADs), or whiplash injuries, due to low-severity vehicle crashes are of great concern in motorized countries and it is well established that the risk of such injuries is higher for females than for males, even in similar crash conditions. Recent protective systems have been shown to be more beneficial for males than for females. Hence, there is a need for improved tools to address female WAD prevention when developing and evaluating the performance of whiplash protection systems. The objective of this study is to develop and evaluate a finite element model of a 50th percentile female rear impact crash test dummy. The anthropometry of the 50th percentile female was specified based on literature data. The model, called EvaRID (female rear impact dummy), was based on the same design concept as the existing 50th percentile male rear impact dummy, the BioRID II. A scaling approach was developed and the first version, EvaRID V1.0, was implemented. Its dynamic response was compared to female volunteer data from rear impact sled tests. The EvaRID V1.0 model and the volunteer tests compared well until ∼250 ms of the head and T1 forward accelerations and rearward linear displacements and of the head rearward angular displacement. Markedly less T1 rearward angular displacement was found for the EvaRID model compared to the female volunteers. Similar results were received for the BioRID II model when comparing simulated responses with experimental data under volunteer loading conditions. The results indicate that the biofidelity of the EvaRID V1.0 and BioRID II FE models have limitations, predominantly in the T1 rearward angular displacement, at low velocity changes (7 km/h). The BioRID II model was validated against dummy test results in a loading range close to consumer test conditions (EuroNCAP) and lower severity levels of volunteer testing were not considered. The EvaRID dummy model demonstrated the potential of becoming a valuable tool when evaluating and developing seats and whiplash protection systems. However, updates of the joint stiffness will be required to provide better correlation at lower load levels. Moreover, the seated posture, curvature of the spine, and head position of 50th percentile female occupants needs to be established and implemented in future models.
Beard, Brian B.; Kainz, Wolfgang; Onishi, Teruo; Iyama, Takahiro; Watanabe, Soichi; Fujiwara, Osamu; Wang, Jianqing; Bit-Babik, Giorgi; Faraone, Antonio; Wiart, Joe; Christ, Andreas; Kuster, Niels; Lee, Ae-Kyoung; Kroeze, Hugo; Siegbahn, Martin; Keshvari, Jafar; Abrishamkar, Houman; Simon, Winfried; Manteuffel, Dirk; Nikoloski, Neviana
2018-01-01
The specific absorption rates (SAR) determined computationally in the specific anthropomorphic mannequin (SAM) and anatomically correct models of the human head when exposed to a mobile phone model are compared as part of a study organized by IEEE Standards Coordinating Committee 34, SubCommittee 2, and Working Group 2, and carried out by an international task force comprising 14 government, academic, and industrial research institutions. The detailed study protocol defined the computational head and mobile phone models. The participants used different finite-difference time-domain software and independently positioned the mobile phone and head models in accordance with the protocol. The results show that when the pinna SAR is calculated separately from the head SAR, SAM produced a higher SAR in the head than the anatomically correct head models. Also the larger (adult) head produced a statistically significant higher peak SAR for both the 1- and 10-g averages than did the smaller (child) head for all conditions of frequency and position. PMID:29515260
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.
Zioła-Frankowska, Anetta; Kubaszewski, Łukasz; Dąbrowski, Mikołaj; Kowalski, Artur; Rogala, Piotr; Strzyżewski, Wojciech; Łabędź, Wojciech; Kanicky, Viktor
2015-01-01
The aim of the study was to determine the content of particular elements Ca, Mg, P, Na, K, Zn, Cu, Fe, Mo, Cr, Ni, Ba, Sr, and Pb in the proximal femur bone tissue (cancellous and cortical bone) of 96 patients undergoing total hip replacement for osteoarthritis using ICP-AES and FAAS analytical techniques. The interdependencies among these elements and their correlations depended on factors including age, gender, place of residence, tobacco consumption, alcohol consumption, exposure to environmental pollution, physical activity, and type of degenerative change which were examined by statistical and chemometric methods. The factors that exerted the greatest influence on the elements in the femoral head and neck were tobacco smoking (higher Cr and Ni content in smokers), alcohol consumption (higher concentrations of Ni, Cu in people who consume alcohol), and gender (higher Cu, Zn, and Ni concentrations in men). The factors influencing Pb accumulation in bone tissue were tobacco, alcohol, gender, and age. In primary and secondary osteoarthritis of the hip, the content and interactions of elements are different (mainly those of Fe and Pb). There were no significant differences in the concentrations of elements in the femoral head and neck that could be attributed to residence or physical activity. PMID:26357659
Assessment of kinetic models on Fe adsorption in groundwater using high-quality limestone
NASA Astrophysics Data System (ADS)
Akbar, N. A.; Kamil, N. A. F. Mohd; Zin, N. S. Md; Adlan, M. N.; Aziz, H. A.
2018-04-01
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.
NASA Astrophysics Data System (ADS)
Li, F.; Pomjakushin, V.; Mazet, T.; Sibille, R.; Malaman, B.; Yadav, R.; Keller, L.; Medarde, M.; Conder, K.; Pomjakushina, E.
2018-05-01
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.
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.
NASA Astrophysics Data System (ADS)
Tan, Caiwang; Xiao, Liyuan; Liu, Fuyun; Chen, Bo; Song, Xiaoguo; Li, Liqun; Feng, Jicai
2017-05-01
In this work, we describe a method to improve the bonding of an immiscible Mg/steel system using Ni as an interlayer by coating it on the steel surface. Laser welding-brazing of AZ31B Mg alloy to Ni-coated Q235 steel using Mg-based filler was performed in a lap configuration. The influence of laser power on the weld characteristics, including joint appearance, formation of interfacial reaction layers and mechanical properties was investigated. The results indicated that the presence of the Ni-coating promoted the wetting of the liquid filler metal on the steel surface. A thermal gradient along the interface led to the formation of heterogeneous interfacial reaction layers. When using a low laser power of 1600 W, the reaction products were an FeAl phase in the direct laser irradiation zone, an AlNi phase close to the intermediate zone and mixtures of AlNi phase and an (α-Mg + Mg2Ni) eutectic structure near the interface at the seam head zone. For high powers of more than 2000 W, the FeAl phase grew thicker in the direct laser irradiation zone and a new Fe(Ni) transition layer formed at the interface of the intermediate zone and the seam head zone. However, the AlNi phase and (α-Mg + Mg2Ni) eutectic structure were scattered at the Mg seam. All the joints fractured at the fusion zone, indicating that the improved interface was not the weakest joint region. The maximum tensile-shear strength of the Mg/Ni-coated steel joint reached 190 N/mm, and the joint efficiency was 70% with respect to the Mg alloy base metal.
Ruan, J S; Prasad, P
1995-08-01
A skull-brain finite element model of the human head has been coupled with a multilink rigid body model of the Hybrid III dummy. The experimental coupled model is intended to represent anatomically a 50th percentile human to the extent the dummy and the skull-brain model represent a human. It has been verified by simulating several human cadaver head impact tests as well as dummy head 'impacts" during barrier crashes in an automotive environment. Skull-isostress and brain-isostrain response curves were established based on model calibration of experimental human cadaver tolerance data. The skull-isostress response curve agrees with the JARI Human Head Impact Tolerance Curve for skull fracture. The brain-isostrain response curve predicts a higher G level for concussion than does the JARI concussion curve and the Wayne State Tolerance Curve at the longer time duration range. Barrier crash simulations consist of belted dummies impacting an airbag, a hard and soft steering wheel hub, and no head contact with vehicle interior components. Head impact force, intracranial pressures and strains, skull stress, and head center-of-gravity acceleration were investigated as injury parameters. Head injury criterion (HIC) was also calculated along with these parameters. Preliminary results of the model simulations in those impact conditions are discussed.
EIT image reconstruction based on a hybrid FE-EFG forward method and the complete-electrode model.
Hadinia, M; Jafari, R; Soleimani, M
2016-06-01
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.
Dislocation loop evolution during in-situ ion irradiation of model FeCrAl alloys
DOE Office of Scientific and Technical Information (OSTI.GOV)
Haley, Jack C.; Briggs, Samuel A.; Edmondson, Philip D.
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
Dislocation loop evolution during in-situ ion irradiation of model FeCrAl alloys
Haley, Jack C.; Briggs, Samuel A.; Edmondson, Philip D.; ...
2017-07-06
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
DOE Office of Scientific and Technical Information (OSTI.GOV)
Möller, Christian, E-mail: cmoeller@cismst.de; TU Ilmenau, Institut für Physik, Weimarer Str. 32, 98693 Ilmenau; Bartel, Til
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
NASA Astrophysics Data System (ADS)
Sharkov, Evgenii; Bogina, Maria; Chistyakov, Alexeii
2017-04-01
One of the most important problems of magmatic petrology over the past century is a «Daly Gap» [Daly, 1914]. It describes the lack of intermediate compositions (i.e., andesite, trachyandesite) in volcanic provinces like ocean islands, LIPs, & arcs, giving rise to "bimodal" basalt-rhyolite, basalt-trachyte or basanite-phonolite suites (Menzies, 2016). At the same time, the origin of the bimodal distribution still remains unclear. Among models proposed to explain the origin of the bimodal series are liquid immiscibility (Charlier et al 2011), physico-chemical specifics of melts (Mungal, Martin,1995), high water content in a primary melt (Melekhova et al., 2012), influence of latent heat production (Nelson et al., 2011), appearance of differentiated transitional chambers with hawaiites below and trachytes on top (Ferla et al., 2006), etc. In this case, the bimodal series are characterized by similar geochemical and isotopic-geochemical features of mafic and sialic members. At the same time, some bimodal series are produced by melting of sialic crust over basaltic chambers (Philpottas and Ague, 2009). This results in the essentially different isotopic characteristics of mafic and sialic members, as exemplified by the bimodal rapakivi granites-anorthosite complexes (Ramo, 1991; Sharkov, 2010). In addition, the bimodal basalt-trachyte series are widely spread in oceanic islands where sialic crust is absent. Thus, it is generally accepted that two contrasting melts were formed in magma chambers beneath volcanoes. Such chambers survived as intrusions and are available for geological study and deciphering their role in the formation of the bimodal magmatic series. We discuss this problem by the example of alkali Fe-Ti basalts and trachytes usually developed in LIPs. Transitional magmatic chambers of such series are represented by bimodal syenite-gabbro intrusions, in particular, by the Elet'ozero intrusion (2086±30 Ma) in Northern Karelia (Russia). The intrusion intruded Archean granite-gneisses and, like syenite-gabbro intrusive complexes everywhere, was formed in two intrusive phases. The first phase is represented by mafic-ultramafic layered intrusion derived from alkali Fe-Ti basalt. The second phase is made up of alkali syenites, which are close in composition to alkali trachyte. At the same time, syenite and gabbro have close ɛNd(2080) (2.99 and 3.09, respectively). So, we faced the intrusive version of alkali basalt-trachyte series. We believe that neither crystallization differentiation, nor immiscible splitting, nor other within-chamber processes were responsible for a Daly Gap. The formation of the latter is rather related to the generation of two compositionally different independent partial melts from the same mantle plume head: (1) alkali Fe-Ti basalts derived from plume head owing to adiabatic melting, and (2) trachytes produced by incongruent melting of upper cooled margin of the head under the influence of fluids, which percolated from underlying adiabatic melting zone. The existence of primary trachyte melts is supported by the finds of "melt pockets" in mantle xenoliths in basalts.
Does Head Start differentially benefit children with risks targeted by the program’s service model?☆
Miller, Elizabeth B.; Farkas, George; Duncan, Greg J.
2015-01-01
Data from the Head Start Impact Study (N = 3540) were used to test for differential benefits of Head Start after one program year and after kindergarten on pre-academic and behavior outcomes for children at risk in the domains targeted by the program’s comprehensive services. Although random assignment to Head Start produced positive treatment main effects on children’s pre-academic skills and behavior problems, residualized growth models showed that random assignment to Head Start did not differentially benefit the pre-academic skills of children with risk factors targeted by the Head Start service model. The models showed detrimental impacts of Head Start for maternal-reported behavior problems of high-risk children, but slightly more positive impacts for teacher-reported behavior. Policy implications for Head Start are discussed. PMID:26379369
A kinematic model for 3-D head-free gaze-shifts
Daemi, Mehdi; Crawford, J. Douglas
2015-01-01
Rotations of the line of sight are mainly implemented by coordinated motion of the eyes and head. Here, we propose a model for the kinematics of three-dimensional (3-D) head-unrestrained gaze-shifts. The model was designed to account for major principles in the known behavior, such as gaze accuracy, spatiotemporal coordination of saccades with vestibulo-ocular reflex (VOR), relative eye and head contributions, the non-commutativity of rotations, and Listing's and Fick constraints for the eyes and head, respectively. The internal design of the model was inspired by known and hypothesized elements of gaze control physiology. Inputs included retinocentric location of the visual target and internal representations of initial 3-D eye and head orientation, whereas outputs were 3-D displacements of eye relative to the head and head relative to shoulder. Internal transformations decomposed the 2-D gaze command into 3-D eye and head commands with the use of three coordinated circuits: (1) a saccade generator, (2) a head rotation generator, (3) a VOR predictor. Simulations illustrate that the model can implement: (1) the correct 3-D reference frame transformations to generate accurate gaze shifts (despite variability in other parameters), (2) the experimentally verified constraints on static eye and head orientations during fixation, and (3) the experimentally observed 3-D trajectories of eye and head motion during gaze-shifts. We then use this model to simulate how 2-D eye-head coordination strategies interact with 3-D constraints to influence 3-D orientations of the eye-in-space, and the implications of this for spatial vision. PMID:26113816
Olsen, Matthew T.; Rauchfuss, Thomas B.; Wilson, Scott R.
2010-01-01
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
NASA Astrophysics Data System (ADS)
Hu, Yueqiang; Wu, Haoyu; Meng, Yonggang; Wang, Yu; Bogy, David
2018-01-01
The thermal issues in heat-assisted magnetic recording (HAMR) technology have drawn much attention in the recent literature. In this paper, the head flying characteristics and thermal performance of a HAMR system during the touch-down process considering different nanoscale heat transfer models across the head-disk interface are numerically studied. An optical-thermal-mechanical coupled model is first described. The coupling efficiency of the near field transducer is found to be dependent on the head disk clearance. The shortcomings of a constant disk-temperature model are investigated, which reveals the importance of considering the disk temperature as a variable. A study of the head flying on the disk is carried out using an air conduction model and additional near-field heat transfer models. It is shown that when the head disk interface is filled with a solid material caused by the laser-induced accumulation, the heat transfer coefficient can become unexpectedly large and the head's temperature can rise beyond desirable levels. Finally, the additional head protrusion due to the laser heating is investigated.
Optimization of Materials and Interfaces for Spintronic Devices
NASA Astrophysics Data System (ADS)
Clark, Billy
In recent years' Spintronic devices have drawn a significant amount of research attention. This interest comes in large part from their ability to enable interesting and new technology such as Spin Torque Transfer Random Access Memory or improve existing technology such as High Signal Read Heads for Hard Disk Drives. For the former we worked on optimizing and improving magnetic tunnel junctions by optimizing their thermal stability by using Ta insertion layers in the free layer. We further tried to simplify the design of the MTJ stack by attempting to replace the Co/Pd multilayer with CoPd alloy. In this dissertation, we detail its development and examine the switching characteristics. Lastly we look at a highly spin polarized material, Fe2MnGe, for optimizing Hard Drive Disk read heads.
Optimization of Fe2+ supplement in anaerobic digestion accounting for the Fe-bioavailability.
Cai, Yafan; Zhao, Xiaoling; Zhao, Yubin; Wang, Hongliang; Yuan, Xufeng; Zhu, Wanbin; Cui, Zongjun; Wang, Xiaofen
2018-02-01
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.
Interaction of Blast and Head Impact in the Generation of Brain Injuries
2009-08-01
accidents; Lee, Melvin and Ueno (1987), Lee and Haut (1989) on FE analysis of subdural hematoma and bridging vein failure characteristics; Lissner, Lebow...contusions; and relative motion damage measure (RMDM), a correlate for acute subdural hematoma (ASDH). Data from animal experiments were used to...caused by brain motion relative to the interior surface of the cranium. This includes injuries due to acute subdural hematoma (ASDH). The metric accounts
Southern Ocean biological iron cycling in the pre-whaling and present ecosystems
NASA Astrophysics Data System (ADS)
Maldonado, Maria T.; Surma, Szymon; Pakhomov, Evgeny A.
2016-11-01
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'.
Gao, Hao; Wang, Huiming; Berry, Colin; Luo, Xiaoyu; Griffith, Boyce E
2014-01-01
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
Modeling Fe II Emission and Revised Fe II (UV) Empirical Templates for the Seyfert 1 Galaxy I Zw 1
NASA Astrophysics Data System (ADS)
Bruhweiler, F.; Verner, E.
2008-03-01
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.
Bravo, Hector R.; Jiang, Feng; Hunt, Randall J.
2002-01-01
Parameter estimation is a powerful way to calibrate models. While head data alone are often insufficient to estimate unique parameters due to model nonuniqueness, flow‐and‐heat‐transport modeling can constrain estimation and allow simultaneous estimation of boundary fluxes and hydraulic conductivity. In this work, synthetic and field models that did not converge when head data were used did converge when head and temperature were used. Furthermore, frequency domain analyses of head and temperature data allowed selection of appropriate modeling timescales. Inflows in the Wilton, Wisconsin, wetlands could be estimated over periods such as a growing season and over periods of a few days when heads were nearly steady and groundwater temperature varied during the day. While this methodology is computationally more demanding than traditional head calibration, the results gained are unobtainable using the traditional approach. These results suggest that temperature can efficiently supplement head data in systems where accurate flux calibration targets are unavailable.
NASA Astrophysics Data System (ADS)
Bergemann, Maria; Collet, Remo; Schönrich, Ralph; Andrae, Rene; Kovalev, Mikhail; Ruchti, Greg; Hansen, Camilla Juul; Magic, Zazralt
2017-09-01
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.
Gasca, Fernando; Richter, Lars; Schweikard, Achim
2010-01-01
Transcranial Magnetic Stimulation (TMS) in the rat is a powerful tool for investigating brain function. However, the state-of-the-art experiments are considerably limited because the stimulation usually affects undesired anatomical structures. A simulation of a conductive shield plate placed between the coil stimulator and the rat brain during TMS is presented. The Finite Element (FE) method is used to obtain the 3D electric field distribution on a four-layer rat head model. The simulations show that the shield plate with a circular window can improve the focalization of stimulation, as quantitatively seen by computing the three-dimensional half power region (HPR). Focalization with the shield plate showed a clear compromise with the attenuation of the induced field. The results suggest that the shield plate can work as a helpful tool for conducting TMS rat experiments on specific targets.
Recording and wear characteristics of 4 and 8 mm helical scan tapes
NASA Technical Reports Server (NTRS)
Peter, Klaus J.; Speliotis, Dennis E.
1993-01-01
Performance data of media on helical scan tape systems (4 and 8 mm) is presented and various types of media are compared. All measurements were performed on a standard MediaLogic model ML4500 Tape Evaluator System with a Flash Converter option for time based measurements. The 8 mm tapes are tested on an Exabyte 8200 drive and 4 mm tapes on an Archive Python drive; in both cases, the head transformer is directly connected to a Media Logic Read/Write circuit and test electronics. The drive functions only as a tape transport and its data recover circuits are not used. Signal to Noise, PW 50, Peak Shift and Wear Test data is used to compare the performance of MP (metal particle), BaFe, and metal evaporate (ME). ME tape is the clear winner in magnetic performance but its susceptibility to wear and corrosion, make it less than ideal for data storage.
Modeling aqueous ferrous iron chemistry at low temperatures with application to Mars
Marion, G.M.; Catling, D.C.; Kargel, J.S.
2003-01-01
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.
Assignment of boundary conditions in embedded ground water flow models
Leake, S.A.
1998-01-01
Many small-scale ground water models are too small to incorporate distant aquifer boundaries. If a larger-scale model exists for the area of interest, flow and head values can be specified for boundaries in the smaller-scale model using values from the larger-scale model. Flow components along rows and columns of a large-scale block-centered finite-difference model can be interpolated to compute horizontal flow across any segment of a perimeter of a small-scale model. Head at cell centers of the larger-scale model can be interpolated to compute head at points on a model perimeter. Simple linear interpolation is proposed for horizontal interpolation of horizontal-flow components. Bilinear interpolation is proposed for horizontal interpolation of head values. The methods of interpolation provided satisfactory boundary conditions in tests using models of hypothetical aquifers.Many small-scale ground water models are too small to incorporate distant aquifer boundaries. If a larger-scale model exists for the area of interest, flow and head values can be specified for boundaries in the smaller-scale model using values from the larger-scale model. Flow components along rows and columns of a large-scale block-centered finite-difference model can be interpolated to compute horizontal flow across any segment of a perimeter of a small-scale model. Head at cell centers of the larger.scale model can be interpolated to compute head at points on a model perimeter. Simple linear interpolation is proposed for horizontal interpolation of horizontal-flow components. Bilinear interpolation is proposed for horizontal interpolation of head values. The methods of interpolation provided satisfactory boundary conditions in tests using models of hypothetical aquifers.
Automated muscle wrapping using finite element contact detection.
Favre, Philippe; Gerber, Christian; Snedeker, Jess G
2010-07-20
Realistic muscle path representation is essential to musculoskeletal modeling of joint function. Algorithms predicting these muscle paths typically rely on a labor intensive predefinition of via points or underlying geometries to guide wrapping for given joint positions. While muscle wrapping using anatomically precise three-dimensional (3D) finite element (FE) models of bone and muscle has been achieved, computational expense and pre-processing associated with this approach exclude its use in applications such as subject-specific modeling. With the intention of combining advantageous features of both approaches, an intermediate technique relying on contact detection capabilities of commercial FE packages is presented. We applied the approach to the glenohumeral joint, and validated the method by comparison against existing experimental data. Individual muscles were modeled as a straight series of deformable beam elements and bones as anatomically precise 3D rigid bodies. Only the attachment locations and a default orientation of the undeformed muscle segment were pre-defined. The joint was then oriented in a static position of interest. The muscle segment free end was then moved along the shortest Euclidean path to its origin on the scapula, wrapping the muscle along bone surfaces by relying on software contact detection. After wrapping for a given position, the resulting moment arm was computed as the perpendicular distance from the line of action vector to the humeral head center of rotation. This approach reasonably predicted muscle length and moment arm for 27 muscle segments when compared to experimental measurements over a wide range of shoulder motion. Artificial via points or underlying contact geometries were avoided, contact detection and multiobject wrapping on the bone surfaces were automatic, and low computational cost permitted wrapping of individual muscles within seconds on a standard desktop PC. These advantages may be valuable for both general and subject-specific musculoskeletal modeling. 2010 Elsevier Ltd. All rights reserved.
Luboz, Vincent; Chabanas, Matthieu; Swider, Pascal; Payan, Yohan
2005-08-01
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).
Role of tartaric and malic acids in wine oxidation.
Danilewicz, John C
2014-06-04
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.
NASA Astrophysics Data System (ADS)
Yusof, Nik Yusnoraini; Bakar, Farah Diba Abu; Mahadi, Nor Muhammad; Raih, Mohd Firdaus; Murad, Abdul Munir Abdul
2015-09-01
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.
A Simple Analytical Model for Magnetization and Coercivity of Hard/Soft Nanocomposite Magnets
DOE Office of Scientific and Technical Information (OSTI.GOV)
Park, Jihoon; Hong, Yang-Ki; Lee, Woncheol
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
A Simple Analytical Model for Magnetization and Coercivity of Hard/Soft Nanocomposite Magnets
Park, Jihoon; Hong, Yang-Ki; Lee, Woncheol; ...
2017-07-10
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
Coupled cycling of Fe and organic carbon in submarine hydrothermal systems: Modelling approach
NASA Astrophysics Data System (ADS)
Legendre, Louis; German, Christopher R.; Sander, Sylvia G.; Niquil, Nathalie
2014-05-01
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.
NASA Astrophysics Data System (ADS)
Bondin, Mark I.; Borg, Stacey J.; Cheah, Mun-Hon; Best, Stephen P.
2006-11-01
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.
Santagostino, Sara F; Mortellaro, Carlo M; Buchholz, Julia; Lugli, Margherita; Forlani, Annalisa; Ghisleni, Gabriele; Roccabianca, Paola
2015-01-01
Case summary A 5-year-old neutered female feline leukaemia virus (FeLV)-positive domestic shorthair cat with a 5 month history of otitis media was referred for head tilt, stertor and dyspnoea. Computed tomography scan revealed soft tissue opacities inside the right tympanic bulla, with bone remodelling, and concurrent nasopharyngeal and intracranial invasion. Endoscopically guided bioptic samples were collected from the nasopharynx and middle ear. Histology revealed dense sheets of round, large, neoplastic cells, often surrounding or invading vascular walls. Neoplastic cells expressed CD3, FeLV p27 and gp70 antigens. A middle ear angiocentric/angioinvasive T-cell lymphoma was diagnosed. After improvement of clinical conditions following radiation therapy, the cat died unexpectedly. At necropsy, hepatic and splenic spread was detected. Relevance and novel information Primary middle ear tumours are rare and their diagnosis is often delayed as clinical signs mimic more common otological conditions. Multiple bioptic specimens are pivotal for a definitive diagnosis. The young age of the cat, serology and immunohistochemistry revealed a possible transforming role of FeLV.
Sulfur Effect on the Space Weathering of Airless Bodies: Laboratory Simulation
NASA Astrophysics Data System (ADS)
Sasaki, S.; Okazaki, M.; Tanaka, H.; Hiroi, T.
2017-12-01
Space weathering is the main process that should control the change of brightness and color of the surface of airless silicate bodies such and the Moon, Mercury and asteroids. S-type asteroids show more overall depletion and reddening of the spectra, and more weakening of absorption bands than ordinary chondrites. Vapor-deposition through at high-velocity dust impacts as well as implantation of intensive solar wind ions may produce the space weathering rims bearing nano-iron particles (npFe0), responsible for spectral change. Simulation experiments using nanosecond pulse laser successfully produced vapor-deposition type npFe0 to change the optical properties [1]. A small (500m) asteroid Itokawa has a weathered surface, although its surface is rocky (rough terrain) or pebble-rich (smooth terrain). In 2011, HAYABUSA returned the particulate samples from the smooth terrain. The most notable discoveries in Itokawa particles are amorphous space-weathering rims containing npFe0. Sulfur and magnesium abundances suggest the presence of nanophase FeS (and MgS) in addition to npFe0 [2]. The presence of npFeS in asteroidal regolith is compatible with the observation of regolith breccia meteorites. On Mercury, MESSENGER revealed a high sulfur abundance (2wt% on average up to 4wt%), which can account for all of Fe by FeS. Both npFeS and npMgS may play an important role also on the surface of Mercury by lowering albedo. In our laboratory simulation using pulsed laser, spectral changes of olivine samples are facilitated when FeS is mixed (5-10wt%) (Fig.1). Nanophase Fe is confirmed by TEM. The darkening feature is reduced by additional heading at 150C, which would suggest the presence of volatile residue. Mixing of pure sulfur particles showed some, but not significant changes after laser irradiation. We acknowledge A. Miyake and A. Tsuchiyama at Kyoto U. for TEM observation. Ref: [1] S. Sasaki et al.: Nature 410 (2001) 555; [2] T. Noguchi et al.: Science 333 (2011) 1121 Fig. 1. Spectral change after pulse laser irradiation. The vertical axis shows normalized reflectance at 2500 nm-infrared darkening, whereas the horizontal axis shows the spectral slope of reflectance ratio of 1600 nm to 560 nm that would show reddening. Size range of fine FeS is smaller than 45 micron.
Binder Jetting: A Novel NdFeB Bonded Magnet Fabrication Process
DOE Office of Scientific and Technical Information (OSTI.GOV)
Paranthaman, M. Parans; Shafer, Christopher S.; Elliott, Amy M.
2016-04-05
Our goal of this research is to fabricate near-net-shape isotropic (Nd) 2Fe 14B-based (NdFeB) bonded magnets using a three dimensional printing process to compete with conventional injection molding techniques used for bonded magnets. Additive manufacturing minimizes the waste of critical materials and allows for the creation of complex shapes and sizes. The binder jetting process works similarly to an inkjet printer. A print-head passes over a bed of NdFeB powder and deposits a polymer binding agent to bind the layer of particles together. The bound powder is then coated with another layer of powder, building the desired shape in successivemore » layers of bonded powder. Upon completion, the green part and surrounding powders are placed in an oven at temperatures between 100°C and 150°C for 4–6 h to cure the binder. After curing, the excess powder can be brushed away to reveal the completed “green” part. Green magnet parts were then infiltrated with a clear urethane resin to achieve the measured density of the magnet of 3.47 g/cm 3 close to 46% relative to the NdFeB single crystal density of 7.6 g/cm 3. Magnetic measurements indicate that there is no degradation in the magnetic properties. In conclusion, this study provides a new pathway for preparing near-net-shape bonded magnets for various magnetic applications.« less
NASA Astrophysics Data System (ADS)
Astroza, Rodrigo; Ebrahimian, Hamed; Li, Yong; Conte, Joel P.
2017-09-01
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.
Kinematics of a Head-Neck Model Simulating Whiplash
ERIC Educational Resources Information Center
Colicchia, Giuseppe; Zollman, Dean; Wiesner, Hartmut; Sen, Ahmet Ilhan
2008-01-01
A whiplash event is a relative motion between the head and torso that occurs in rear-end automobile collisions. In particular, the large inertia of the head results in a horizontal translation relative to the thorax. This paper describes a simulation of the motion of the head and neck during a rear-end (whiplash) collision. A head-neck model that…
Southern Ocean biological iron cycling in the pre-whaling and present ecosystems.
Maldonado, Maria T; Surma, Szymon; Pakhomov, Evgeny A
2016-11-28
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).
Arun, Mike W J; Umale, Sagar; Humm, John R; Yoganandan, Narayan; Hadagali, Prasanaah; Pintar, Frank A
2016-09-01
The objective of the current study was to perform a parametric study with different impact objects, impact locations, and impact speeds by analyzing occupant kinematics and injury estimations using a whole-vehicle and whole-body finite element-human body model (FE-HBM). To confirm the HBM responses, the biofidelity of the model was validated using data from postmortem human surrogate (PMHS) sled tests. The biofidelity of the model was validated using data from sled experiments and correlational analysis (CORA). Full-scale simulations were performed using a restrained Global Human Body Model Consortium (GHBMC) model seated on a 2001 Ford Taurus model using a far-side lateral impact condition. The driver seat was placed in the center position to represent a nominal initial impact condition. A 3-point seat belt with pretensioner and retractor was used to restrain the GHBMC model. A parametric study was performed using 12 simulations by varying impact locations, impacting object, and impact speed using the full-scale models. In all 12 simulations, the principal direction of force (PDOF) was selected as 90°. The impacting objects were a 10-in.-diameter rigid vertical pole and a movable deformable barrier. The impact location of the pole was at the C-pillar in the first case, at the B-pillar in the second case, and, finally, at the A-pillar in the third case. The vehicle and the GHBMC models were defined an initial velocity of 35 km/h (high speed) and 15 km/h (low speed). Excursion of the head center of gravity (CG), T6, and pelvis were measured from the simulations. In addition, injury risk estimations were performed on head, rib cage, lungs, kidneys, liver, spleen, and pelvis. The average CORA rating was 0.7. The shoulder belt slipped in B- and C-pillar impacts but somewhat engaged in the A-pillar case. In the B-pillar case, the head contacted the intruding struck-side structures, indicating higher risk of injury. Occupant kinematics depended on interaction with restraints and internal structures-especially the passenger seat. Risk analysis indicated that the head had the highest risk of sustaining an injury in the B-pillar case compared to the other 2 cases. Higher lap belt load (3.4 kN) may correspond to the Abbreviated Injury Scale (AIS) 2 pelvic injury observed in the B-pillar case. Risk of injury to other soft anatomical structures varied with impact configuration and restraint interaction. The average CORA rating was 0.7. In general, the results indicated that the high-speed impacts against the pole resulted in severe injuries, higher excursions followed by low-speed pole, high-speed moving deformable barrier (MDB), and low-speed MDB impacts. The vehicle and occupant kinematics varied with different impact setups and the latter kinematics were likely influenced by restraint effectiveness. Increased restraint engagement increased the injury risk to the corresponding anatomic structure, whereas ineffective restraint engagement increased the occupant excursion, resulting in a direct impact to the struck-side interior structures.
The FieldTrip-SimBio pipeline for EEG forward solutions.
Vorwerk, Johannes; Oostenveld, Robert; Piastra, Maria Carla; Magyari, Lilla; Wolters, Carsten H
2018-03-27
Accurately solving the electroencephalography (EEG) forward problem is crucial for precise EEG source analysis. Previous studies have shown that the use of multicompartment head models in combination with the finite element method (FEM) can yield high accuracies both numerically and with regard to the geometrical approximation of the human head. However, the workload for the generation of multicompartment head models has often been too high and the use of publicly available FEM implementations too complicated for a wider application of FEM in research studies. In this paper, we present a MATLAB-based pipeline that aims to resolve this lack of easy-to-use integrated software solutions. The presented pipeline allows for the easy application of five-compartment head models with the FEM within the FieldTrip toolbox for EEG source analysis. The FEM from the SimBio toolbox, more specifically the St. Venant approach, was integrated into the FieldTrip toolbox. We give a short sketch of the implementation and its application, and we perform a source localization of somatosensory evoked potentials (SEPs) using this pipeline. We then evaluate the accuracy that can be achieved using the automatically generated five-compartment hexahedral head model [skin, skull, cerebrospinal fluid (CSF), gray matter, white matter] in comparison to a highly accurate tetrahedral head model that was generated on the basis of a semiautomatic segmentation with very careful and time-consuming manual corrections. The source analysis of the SEP data correctly localizes the P20 component and achieves a high goodness of fit. The subsequent comparison to the highly detailed tetrahedral head model shows that the automatically generated five-compartment head model performs about as well as a highly detailed four-compartment head model (skin, skull, CSF, brain). This is a significant improvement in comparison to a three-compartment head model, which is frequently used in praxis, since the importance of modeling the CSF compartment has been shown in a variety of studies. The presented pipeline facilitates the use of five-compartment head models with the FEM for EEG source analysis. The accuracy with which the EEG forward problem can thereby be solved is increased compared to the commonly used three-compartment head models, and more reliable EEG source reconstruction results can be obtained.
Volcanic ash as an oceanic iron source and sink
NASA Astrophysics Data System (ADS)
Rogan, Nicholas; Achterberg, Eric P.; Le Moigne, Frédéric A. C.; Marsay, Chris M.; Tagliabue, Alessandro; Williams, Richard G.
2016-03-01
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.
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.
NASA Astrophysics Data System (ADS)
Ebrahimian, Hamed; Astroza, Rodrigo; Conte, Joel P.; de Callafon, Raymond A.
2017-02-01
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.
NASA Astrophysics Data System (ADS)
Astroza, Rodrigo; Ebrahimian, Hamed; Conte, Joel P.
2015-03-01
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.
NASA Astrophysics Data System (ADS)
Sugawara, Toru
2001-06-01
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.
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.
Statistical modeling of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2.
Ushakov, Vladimir G; Troe, Jürgen; Johnson, Ryan S; Guo, Hua; Ard, Shaun G; Melko, Joshua J; Shuman, Nicholas S; Viggiano, Albert A
2015-08-14
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.
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.
Mechanical properties of neutron-irradiated model and commercial FeCrAl alloys
Field, Kevin G.; Briggs, Samuel A.; Sridharan, Kumar; ...
2017-03-28
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
Ab Initio calculation on magnetism of monatomic Fe nanowire on Au (111) surface
NASA Astrophysics Data System (ADS)
Yasui, Takashi; Nawate, Masahiko
2010-01-01
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.
Mechanical properties of neutron-irradiated model and commercial FeCrAl alloys
NASA Astrophysics Data System (ADS)
Field, Kevin G.; Briggs, Samuel A.; Sridharan, Kumar; Howard, Richard H.; Yamamoto, Yukinori
2017-06-01
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.
Miller, Leland V.; Krebs, Nancy F.; Hambidge, K. Michael
2013-01-01
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
Miller, Leland V; Krebs, Nancy F; Hambidge, K Michael
2013-02-28
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.
Li, Zhigang; Ji, Cheng; Wang, Lishu
2018-07-01
Although analytical models have been used to quickly predict head response under impact condition, the existing models generally took the head as regular shell with uniform thickness which cannot account for the actual head geometry with varied cranial thickness and curvature at different locations. The objective of this study is to develop and validate an analytical model incorporating actual cranial thickness and curvature for child aged 0-1YO and investigate their effects on child head dynamic responses at different head locations. To develop the new analytical model, the child head was simplified into an irregular fluid-filled shell with non-uniform thickness and the cranial thickness and curvature at different locations were automatically obtained from CT scans using a procedure developed in this study. The implicit equation of maximum impact force was derived as a function of elastic modulus, thickness and radius of curvature of cranium. The proposed analytical model are compared with cadaver test data of children aged 0-1 years old and it is shown to be accurate in predicting head injury metrics. According to this model, obvious difference in injury metrics were observed among subjects with the same age, but different cranial thickness and curvature; and the injury metrics at forehead location are significant higher than those at other locations due to large thickness it owns. The proposed model shows good biofidelity and can be used in quickly predicting the dynamics response at any location of head for child younger than 1 YO. Copyright © 2018 Elsevier B.V. All rights reserved.
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.
Contact of dual mobility implants: effects of cup wear and inclination.
Uddin, M S
2015-01-01
Cup wear and inclination on the pelvic bone are significant factors, which change the contact of the articulating surfaces, thus, impacting the long-term performance of hip implants. This paper presents a finite element (FE) analysis of the contact of the dual mobility implants under the influence of cup wear and inclination. A 3D FE model of the implant was developed with the application of equivalent physiological loading and boundary conditions. Effects of cup inclination angle ranging from 45° to 60° and the wear depth ranging from 0 to 2.46 mm equivalent to up to 30 years of the implant's life on the contact pressure and von Mises stress were investigated. Simulation results show that the contact pressure and von Mises stress decrease significantly with a modest wear depth and remains quite in-sensitive to the cup inclination angle and wear depth up to 1.64 mm. With wear depth further up to 2.46 mm, the cup thickness (i.e. cup thinning on worn region) may be more predominant than increasing of contact area between the cup and the head. The wear on the inner surface of the cup is found to rule out the overall contact pressure and stress in the implant. Furthermore, individual and combined effects of both important parameters are analysed and discussed with respect to available clinical/laboratory studies.
Multiregion bicentric-spheres models of the head for the simulation of bioelectric phenomena.
Vatta, Federica; Bruno, Paolo; Inchingolo, Paolo
2005-03-01
Equations are derived for the electric potentials [electroencephalogram (EEG)] produced by dipolar sources in a multiregion bicentric-spheres volume-conductor head model. Being the equations valid for an arbitrary number of regions, our proposal is a generalization of many spherical models presented so far in literature, each of those regarded as a particular case of our multiregion model. Moreover, our approach allows considering new features of the head volume-conductor to better approximate electrical properties of the real head.
Developments in deep brain stimulation using time dependent magnetic fields
DOE Office of Scientific and Technical Information (OSTI.GOV)
Crowther, L.J.; Nlebedim, I.C.; Jiles, D.C.
2012-03-07
The effect of head model complexity upon the strength of field in different brain regions for transcranial magnetic stimulation (TMS) has been investigated. Experimental measurements were used to verify the validity of magnetic field calculations and induced electric field calculations for three 3D human head models of varying complexity. Results show the inability for simplified head models to accurately determine the site of high fields that lead to neuronal stimulation and highlight the necessity for realistic head modeling for TMS applications.
Developments in deep brain stimulation using time dependent magnetic fields
NASA Astrophysics Data System (ADS)
Crowther, L. J.; Nlebedim, I. C.; Jiles, D. C.
2012-04-01
The effect of head model complexity upon the strength of field in different brain regions for transcranial magnetic stimulation (TMS) has been investigated. Experimental measurements were used to verify the validity of magnetic field calculations and induced electric field calculations for three 3D human head models of varying complexity. Results show the inability for simplified head models to accurately determine the site of high fields that lead to neuronal stimulation and highlight the necessity for realistic head modeling for TMS applications.
Park, Jinkyu; McCormick, Sean P.; Chakrabarti, Mrinmoy; Lindahl, Paul A.
2014-01-01
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
NASA Astrophysics Data System (ADS)
Lai, Changliang; Wang, Junbiao; Liu, Chuang
2014-10-01
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.
SHM-Based Probabilistic Fatigue Life Prediction for Bridges Based on FE Model Updating
Lee, Young-Joo; Cho, Soojin
2016-01-01
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
[RESEARCH PROGRESS OF EXPERIMENTAL ANIMAL MODELS OF AVASCULAR NECROSIS OF FEMORAL HEAD].
Yu, Kaifu; Tan, Hongbo; Xu, Yongqing
2015-12-01
To summarize the current researches and progress on experimental animal models of avascular necrosis of the femoral head. Domestic and internation literature concerning experimental animal models of avascular necrosis of the femoral head was reviewed and analyzed. The methods to prepare the experimental animal models of avascular necrosis of the femoral head can be mainly concluded as traumatic methods (including surgical, physical, and chemical insult), and non-traumatic methods (including steroid, lipopolysaccharide, steroid combined with lipopolysaccharide, steroid combined with horse serum, etc). Each method has both merits and demerits, yet no ideal methods have been developed. There are many methods to prepare the experimental animal models of avascular necrosis of the femoral head, but proper model should be selected based on the aim of research. The establishment of ideal experimental animal models needs further research in future.
Thermodynamic Versus Surface Area Control of Microbial Fe(III) Oxide Reduction Kinetics
NASA Astrophysics Data System (ADS)
Roden, E. E.
2003-12-01
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.
Finite Element Modeling of the Posterior Eye in Microgravity
NASA Technical Reports Server (NTRS)
Feola, Andrew; Raykin, Julia; Mulugeta, Lealem; Gleason, Rudolph; Myers, Jerry G.; Nelson, Emily S.; Samuels, Brian; Ethier, C. Ross
2015-01-01
Microgravity experienced during spaceflight affects astronauts in various ways, including weakened muscles and loss of bone density. Recently, visual impairment and intracranial pressure (VIIP) syndrome has become a major concern for space missions lasting longer than 30 days. Astronauts suffering from VIIP syndrome have changes in ocular anatomical and visual impairment that persist after returning to earth. It is hypothesized that a cephalad fluid shift in microgravity may increase the intracranial pressure (ICP), which leads to an altered biomechanical environment of the posterior globe and optic nerve sheath (ONS).Currently, there is a lack of knowledge of how elevated ICP may lead to vision impairment and connective tissue changes in VIIP. Our goal was to develop a finite element model to simulate the acute effects of elevated ICP on the posterior eye and optic nerve sheath. We used a finite element (FE) analysis approach to understand the response of the lamina cribrosa and optic nerve to the elevations in ICP thought to occur in microgravity and to identify which tissue components have the greatest impact on strain experienced by optic nerve head tissues.
A new model for the surface arrangement of myosin molecules in tarantula thick filaments.
Offer, G; Knight, P J; Burgess, S A; Alamo, L; Padrón, R
2000-04-28
Three-dimensional reconstructions of the negatively stained thick filaments of tarantula muscle with a resolution of 50 A have previously suggested that the helical tracks of myosin heads are zigzagged, short diagonal ridges being connected by nearly axial links. However, surface views of lower contour levels reveal an additional J-shaped feature approximately the size and shape of a myosin head. We have modelled the surface array of myosin heads on the filaments using as a building block a model of a two-headed regulated myosin molecule in which the regulatory light chains of the two heads together form a compact head-tail junction. Four parameters defining the radius, orientation and rotation of each myosin molecule were varied. In addition, the heads were allowed independently to bend in a plane perpendicular to the coiled-coil tail at three sites, and to tilt with respect to the tail and to twist at one of these sites. After low-pass filtering, models were aligned with the reconstruction, scored by cross-correlation and refined by simulated annealing. Comparison of the geometry of the reconstruction and the distance between domains in the myosin molecule narrowed the choice of models to two main classes. A good match to the reconstruction was obtained with a model in which each ridge is formed from the motor domain of a head pointing to the bare zone together with the head-tail junction of a neighbouring molecule. The heads pointing to the Z-disc intermittently occupy the J-position. Each motor domain interacts with the essential and regulatory light chains of the neighbouring heads. A near-radial spoke in the reconstruction connecting the backbone to one end of the ridge can be identified as the start of the coiled-coil tail. Copyright 2000 Academic Press.
NASA Technical Reports Server (NTRS)
Tzanavaris, P.; Yaqoob, T.
2018-01-01
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.
Keshvari, J; Lang, S
2005-09-21
The increasing use of mobile communication devices, especially mobile phones by children, has triggered discussions on whether there is a larger radio frequency (RF) energy absorption in the heads of children compared to that of adults. The objective of this study was to clarify possible differences in RF energy absorption in the head region of children and adults using computational techniques. Using the finite-difference time-domain (FDTD) computational method, a set of specific absorption rate (SAR) calculations were performed for anatomically correct adult and child head models. A half-wave dipole was used as an exposure source at 900, 1800 and 2450 MHz frequencies. The ear and eye regions were studied representing realistic exposure scenarios to current and upcoming mobile wireless communication devices. The differences in absorption were compared with the maximum energy absorption of the head model. Four magnetic resonance imaging (MRI) based head models, one female, one adult, two child head models, aged 3 and 7 years, were used. The head models greatly differ from each other in terms of size, external shape and the internal anatomy. The same tissue dielectric parameters were applied for all models. The analyses suggest that the SAR difference between adults and children is more likely caused by the general differences in the head anatomy and geometry of the individuals rather than age. It seems that the external shape of the head and the distribution of different tissues within the head play a significant role in the RF energy absorption.
Starting points for the study of non-Fermi liquid-like properties of FeCrAs
NASA Astrophysics Data System (ADS)
O'Brien, Patrick James
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.
Lecithin organogels used as bioactive compounds carriers. A microdomain properties investigation.
Avramiotis, Spyridon; Papadimitriou, Vassiliki; Hatzara, Elina; Bekiari, Vlasoula; Lianos, Panagiotis; Xenakis, Aristotelis
2007-04-10
Organogels were obtained by adding small amounts of water to a solution of lecithin in organic solvents. Either isooctane or isopropyl palmitate and isopropyl myristate were used as the continuous organic phase of the gels. EPR spectroscopy using both DSA membrane-sensitive and lipophilic spin probes was applied to define the dynamic structure of the surfactant monolayer and the continuous oil phase of lecithin organogels. It was found that by increasing the water quantity, an increase of the polar head area per lecithin molecule was induced, and as a consequence the total interface expanded. It was found that the use of esters as organic solvents induced a decrease of the size of the dispersed structures. The interconnection of the aqueous microdomains and their dynamics were monitored by both static and time-resolved fluorescence quenching spectroscopy using Ru(bipy)32+ as fluorophore and Fe(CN)63- as quencher. It was found that the rates of inter- and/or intra-micellar exchange of water molecules were very slow because they appeared quite immobilized close to the lecithin polar heads. According to the results of the dynamic studies, appropriate organogels were formulated and used to incorporate model bioactive compounds with medicinal or cosmetic interest such as caffeine and theophylline. When these systems were tested for trans-membrane diffusion, they showed a 24 h permeation of 20% and 35%, respectively.
Competitive Dynamics in MSTd: A Mechanism for Robust Heading Perception Based on Optic Flow
Layton, Oliver W.; Fajen, Brett R.
2016-01-01
Human heading perception based on optic flow is not only accurate, it is also remarkably robust and stable. These qualities are especially apparent when observers move through environments containing other moving objects, which introduce optic flow that is inconsistent with observer self-motion and therefore uninformative about heading direction. Moving objects may also occupy large portions of the visual field and occlude regions of the background optic flow that are most informative about heading perception. The fact that heading perception is biased by no more than a few degrees under such conditions attests to the robustness of the visual system and warrants further investigation. The aim of the present study was to investigate whether recurrent, competitive dynamics among MSTd neurons that serve to reduce uncertainty about heading over time offer a plausible mechanism for capturing the robustness of human heading perception. Simulations of existing heading models that do not contain competitive dynamics yield heading estimates that are far more erratic and unstable than human judgments. We present a dynamical model of primate visual areas V1, MT, and MSTd based on that of Layton, Mingolla, and Browning that is similar to the other models, except that the model includes recurrent interactions among model MSTd neurons. Competitive dynamics stabilize the model’s heading estimate over time, even when a moving object crosses the future path. Soft winner-take-all dynamics enhance units that code a heading direction consistent with the time history and suppress responses to transient changes to the optic flow field. Our findings support recurrent competitive temporal dynamics as a crucial mechanism underlying the robustness and stability of perception of heading. PMID:27341686
Decker, Andrea; Rohde, Jan-Uwe; Klinker, Eric J.; Wong, Shaun D.; Que, Lawrence; Solomon, Edward I.
2008-01-01
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
Finite element modelling and updating of a lively footbridge: The complete process
NASA Astrophysics Data System (ADS)
Živanović, Stana; Pavic, Aleksandar; Reynolds, Paul
2007-03-01
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.
Live Speech Driven Head-and-Eye Motion Generators.
Le, Binh H; Ma, Xiaohan; Deng, Zhigang
2012-11-01
This paper describes a fully automated framework to generate realistic head motion, eye gaze, and eyelid motion simultaneously based on live (or recorded) speech input. Its central idea is to learn separate yet interrelated statistical models for each component (head motion, gaze, or eyelid motion) from a prerecorded facial motion data set: 1) Gaussian Mixture Models and gradient descent optimization algorithm are employed to generate head motion from speech features; 2) Nonlinear Dynamic Canonical Correlation Analysis model is used to synthesize eye gaze from head motion and speech features, and 3) nonnegative linear regression is used to model voluntary eye lid motion and log-normal distribution is used to describe involuntary eye blinks. Several user studies are conducted to evaluate the effectiveness of the proposed speech-driven head and eye motion generator using the well-established paired comparison methodology. Our evaluation results clearly show that this approach can significantly outperform the state-of-the-art head and eye motion generation algorithms. In addition, a novel mocap+video hybrid data acquisition technique is introduced to record high-fidelity head movement, eye gaze, and eyelid motion simultaneously.
Hexter, Suzannah V.; Grey, Felix; Happe, Thomas; Climent, Victor; Armstrong, Fraser A.
2012-01-01
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
SAR Simulation with Magneto Chiral Effects for Human Head Radiated from Cellular Phones
NASA Astrophysics Data System (ADS)
Torres-Silva, H.
2008-09-01
A numerical method for a microwave signal emitted by a cellular phone, propagating in a magneto-chiral media, characterized by an extended Born-Fedorov formalism, is presented. It is shown that the use of a cell model, combined with a real model of the human head, derived from the magnetic resonance of images allows a good determination of the near fields induced in the head when the brain chirality and the battery magnetic field are considered together. The results on a 2-Dim human head model show the evolution of the specific absorption rate, (SAR coefficient) and the spatial peak specific absorption rate which are sensitives to the magneto-chiral factor, which is important in the brain layer. For GSM/PCN phones, extremely low frequency real pulsed magnetic fields (in the order of 10 to 60 milligauss) are added to the model through the whole of the user's head. The more important conclusion of our work is that the head absorption is bigger than the results for a classical model without the magneto chiral effect. Hot spots are produced due to the combination of microwave and the magnetic field produced by the phone's operation. The FDTD method was used to compute the SARs inside the MRI based head models consisting of various tissues for 1.8 GHz. As a result, we found that in the head model having more than four kinds of tissue, the localized peak SAR reaches maximum inside the head for over five tissues including skin, bone, blood and brain cells.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wu, T.; Griffin, A. M.; Gorski, C. A.
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
Seim, Gretchen L; Ahn, Cedric I; Bodis, Mary S; Luwedde, Flavia; Miller, Dennis D; Hillier, Stephen; Tako, Elad; Glahn, Raymond P; Young, Sera L
2013-08-01
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.
NASA Astrophysics Data System (ADS)
Domagal-Goldman, S.; Kubicki, J. D.
2006-05-01
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.
Seim, Gretchen L.; Ahn, Cedric I.; Bodis, Mary S.; Luwedde, Flavia; Miller, Dennis D.; Hillier, Stephen; Tako, Elad; Glahn, Raymond P.; Young, Sera L.
2014-01-01
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
Heading in football. Part 3: Effect of ball properties on head response
Shewchenko, N; Withnall, C; Keown, M; Gittens, R; Dvorak, J
2005-01-01
Objectives: Head impacts from footballs are an essential part of the game but have been implicated in mild and acute neuropsychological impairment. Ball characteristics have been noted in literature to affect the impact response of the head; however, the biomechanics are not well understood. The present study determined whether ball mass, pressure, and construction characteristics help reduce head and neck can impact response. Methods: Head responses under ball impact (6–7 m/s) were measured with a biofidelic numerical human model and controlled human subject trials (n = 3). Three ball masses and four ball pressures were investigated for frontal heading. Further, the effect of ball construction in wet/dry conditions was studied with the numerical model. The dynamic ball characteristics were determined experimentally. Head linear and angular accelerations were measured and compared with injury assessment functions comprising peak values and head impact power. Neck responses were assessed with the numerical model. Results: Ball mass reductions up to 35% resulted in decreased head responses up to 23–35% for the numerical and subject trials. Similar decreases in neck axial and shear responses were observed. Ball pressure reductions of 50% resulted in head and neck response reductions up to 10–31% for the subject trials and numerical model. Head response reductions up to 15% were observed between different ball constructions. The wet condition generally resulted in greater head and neck responses of up to 20%. Conclusion: Ball mass, pressure, and construction can reduce the impact severity to the head and neck. It is foreseeable that the benefits can be extended to players of all ages and skill levels. PMID:16046354
Finite element modeling of sound transmission with perforations of tympanic membrane
Gan, Rong Z.; Cheng, Tao; Dai, Chenkai; Yang, Fan; Wood, Mark W.
2009-01-01
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
NASA Astrophysics Data System (ADS)
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.
2017-11-01
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.
Dassama, Laura M.K.; Krebs, Carsten; Bollinger, J. Martin; Rosenzweig, Amy C.; Boal, Amie K.
2013-01-01
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
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
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).
Bae, Yeunook; Kim, Dooil; Cho, Hyun-Hee; Singhal, Naresh; Park, Jae-Woo
2012-12-01
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.
NASA Astrophysics Data System (ADS)
Salunke-Gawali, Sunita; Ahmed, Khursheed; Varret, François; Linares, Jorge; Zaware, Santosh; Date, Sadgopal; Rane, Sandhya
2008-07-01
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.
NASA Astrophysics Data System (ADS)
Tzanavaris, P.; Yaqoob, T.
2018-03-01
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.
A time-course analysis of changes in cerebral metal levels following a controlled cortical impact.
Portbury, Stuart D; Hare, Dominic J; Sgambelloni, Charlotte; Finkelstein, David I; Adlard, Paul A
2016-02-01
Traumatic brain injury (TBI) is complicated by a sudden and dramatic change in brain metal levels, including iron (Fe), copper (Cu) and zinc (Zn). Specific 'metallo-pathological' features of TBI include increased non-heme bound Fe and the liberation of free Zn ions, both of which may contribute to the pathogenesis of TBI. To further characterise the metal dyshomeostasis that occurs following brain trauma, we performed a quantitative time-course survey of spatial Fe, Cu and Zn distribution in mice receiving a controlled cortical impact TBI. Images of brain metal levels produced using laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) in the upper quadrant of the ipsilateral hemisphere were compared to the corresponding contralateral hemisphere, together with regional areas radiating toward the center of the brain from the site of lesion. Significant regional and time point specific elevations in Fe, Zn and Cu were detected immediately and up to 28 days after TBI. The magnitude and timeframe of many of these changes suggest that TBI results in a pronounced and sustained alteration in normal metal levels within the brain. Such alterations are likely to play a role in both the short- and long-term consequences of head trauma and suggest that pharmacological modulation to normalize these metal levels may be efficacious in improving functional outcome.
Wang, Zheng; Wang, Ying-Shuai; Chang, Zhi-Min; Li, Li; Zhang, Yi; Lu, Meng-Meng; Zheng, Xiao; Li, Mingqiang; Shao, Dan; Li, Jing; Chen, Li; Dong, Wen-Fei
2017-03-01
Berberine, an bioactive isoquinolin alkaloid from traditional Chinese herbs, is considered to be a promising agent based on its remarkable activity against hepatocellular carcinoma. However, the clinical application of this nature compound had been hampered owing to its properties such as poor aqueous solubility, low gastrointestinal absorption, and reduced bioavailability. Therefore, we developed Janus magnetic mesoporous silica nanoparticles (Fe 3 O 4 -mSiO 2 NPs) consisting of a Fe 3 O 4 head for magnetic targeting and a mesoporous SiO 2 body for berberine delivery. A pH-sensitive group was introduced on the surface of mesoporous silica for berberine loading to develop a tumor microenvironment-responsive nanocarrier, which exhibited uniform morphology, good superparamagnetic properties, high drug-loading amounts, superior endocytic ability, and low cytotoxicity. Berberine-loaded Fe 3 O 4 -mSiO 2 NPs exerted extraordinarily high specificity for hepatocellular carcinoma cells, which was due to the pH-responsive berberine release, as well as higher endocytosis capacity in hepatocellular carcinoma cells rather than normal liver cells. More importantly, an external magnetic field could significantly improve antitumor activity of Ber-loaded Fe 3 O 4 -mSiO 2 NPs through enhancing berberine internalization. Taken together, our results suggest that Janus nanocarriers driven by the magnetic field may provide an effective and safe way to facilitate clinical use of berberine against hepatocellular carcinoma. © 2016 John Wiley & Sons A/S.
Mechanical properties of Fe rich Fe-Si alloys: ab initio local bulk-modulus viewpoint
NASA Astrophysics Data System (ADS)
Bhattacharya, Somesh Kr; Kohyama, Masanori; Tanaka, Shingo; Shiihara, Yoshinori; Saengdeejing, Arkapol; Chen, Ying; Mohri, Tetsuo
2017-11-01
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.
NASA Astrophysics Data System (ADS)
Zhang, Jie; Nixon, Andrew; Barber, Tom; Budyn, Nicolas; Bevan, Rhodri; Croxford, Anthony; Wilcox, Paul
2018-04-01
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.
NASA Astrophysics Data System (ADS)
Zidane, A.; Firoozabadi, A.
2017-12-01
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.
NASA Technical Reports Server (NTRS)
Sibonga, J. D.; Feiveson, A. H.
2014-01-01
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.
Sabatelli, L; Seppälä, U; Sastre, J; Crater, G
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.
Hu, Bowen; Chen, Dafa; Hu, Xile
2014-02-03
[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.
USDA-ARS?s Scientific Manuscript database
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...
Shaban, Mohamed; Hassouna, Mohamed E M; Nasief, Fadya M; AbuKhadra, Mostafa R
2017-10-01
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.
NASA Astrophysics Data System (ADS)
Kang, Youn-Bae; Jung, In-Ho
2017-06-01
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.
NASA Astrophysics Data System (ADS)
Miyazaki, Yusuke; Tachiya, Hiroshi; Anata, Kenji; Hojo, Akihiro
This study discusses a head injury mechanism in case of a human head subjected to impact, from results of impact experiments by using a physical model of a human head with high-shape fidelity. The physical model was constructed by using rapid prototyping technology from the three-dimensional CAD data, which obtained from CT/MRI images of a subject's head. As results of the experiments, positive pressure responses occurred at the impacted site, whereas negative pressure responses occurred at opposite the impacted site. Moreover, the absolute maximum value of pressure occurring at the frontal region of the intracranial space of the head model resulted in same or higher than that at the occipital site in each case that the impact force was imposed on frontal or occipital region. This result has not been showed in other study using simple shape physical models. And, the result corresponds with clinical evidences that brain contusion mainly occurs at the frontal part in each impact direction. Thus, physical model with accurate skull shape is needed to clarify the mechanism of brain contusion.
Physical conditions in CaFe interstellar clouds
NASA Astrophysics Data System (ADS)
Gnaciński, P.; Krogulec, M.
2008-01-01
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.
Modeling eye-head gaze shifts in multiple contexts without motor planning
Haji-Abolhassani, Iman; Guitton, Daniel
2016-01-01
During gaze shifts, the eyes and head collaborate to rapidly capture a target (saccade) and fixate it. Accordingly, models of gaze shift control should embed both saccadic and fixation modes and a mechanism for switching between them. We demonstrate a model in which the eye and head platforms are driven by a shared gaze error signal. To limit the number of free parameters, we implement a model reduction approach in which steady-state cerebellar effects at each of their projection sites are lumped with the parameter of that site. The model topology is consistent with anatomy and neurophysiology, and can replicate eye-head responses observed in multiple experimental contexts: 1) observed gaze characteristics across species and subjects can emerge from this structure with minor parametric changes; 2) gaze can move to a goal while in the fixation mode; 3) ocular compensation for head perturbations during saccades could rely on vestibular-only cells in the vestibular nuclei with postulated projections to burst neurons; 4) two nonlinearities suffice, i.e., the experimentally-determined mapping of tectoreticular cells onto brain stem targets and the increased recruitment of the head for larger target eccentricities; 5) the effects of initial conditions on eye/head trajectories are due to neural circuit dynamics, not planning; and 6) “compensatory” ocular slow phases exist even after semicircular canal plugging, because of interconnections linking eye-head circuits. Our model structure also simulates classical vestibulo-ocular reflex and pursuit nystagmus, and provides novel neural circuit and behavioral predictions, notably that both eye-head coordination and segmental limb coordination are possible without trajectory planning. PMID:27440248
A Mathematical Model of a Simple Amplifier Using a Ferroelectric Transistor
NASA Technical Reports Server (NTRS)
Sayyah, Rana; Hunt, Mitchell; MacLeod, Todd C.; Ho, Fat D.
2009-01-01
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.
A strong pinning model for the coercivity of die-upset Pr-Fe-B magnets
NASA Astrophysics Data System (ADS)
Pinkerton, F. E.; fürst, C. D.
1991-04-01
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.
NASA Astrophysics Data System (ADS)
Guo, Ning; Yang, Zhichun; Wang, Le; Ouyang, Yan; Zhang, Xinping
2018-05-01
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.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gorev, M.V., E-mail: gorev@iph.krasn.ru; Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk; Flerov, I.N.
2016-05-15
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
Lowe, D J; Thorneley, R N
1984-01-01
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
Simplified realistic human head model for simulating Tumor Treating Fields (TTFields).
Wenger, Cornelia; Bomzon, Ze'ev; Salvador, Ricardo; Basser, Peter J; Miranda, Pedro C
2016-08-01
Tumor Treating Fields (TTFields) are alternating electric fields in the intermediate frequency range (100-300 kHz) of low-intensity (1-3 V/cm). TTFields are an anti-mitotic treatment against solid tumors, which are approved for Glioblastoma Multiforme (GBM) patients. These electric fields are induced non-invasively by transducer arrays placed directly on the patient's scalp. Cell culture experiments showed that treatment efficacy is dependent on the induced field intensity. In clinical practice, a software called NovoTalTM uses head measurements to estimate the optimal array placement to maximize the electric field delivery to the tumor. Computational studies predict an increase in the tumor's electric field strength when adapting transducer arrays to its location. Ideally, a personalized head model could be created for each patient, to calculate the electric field distribution for the specific situation. Thus, the optimal transducer layout could be inferred from field calculation rather than distance measurements. Nonetheless, creating realistic head models of patients is time-consuming and often needs user interaction, because automated image segmentation is prone to failure. This study presents a first approach to creating simplified head models consisting of convex hulls of the tissue layers. The model is able to account for anisotropic conductivity in the cortical tissues by using a tensor representation estimated from Diffusion Tensor Imaging. The induced electric field distribution is compared in the simplified and realistic head models. The average field intensities in the brain and tumor are generally slightly higher in the realistic head model, with a maximal ratio of 114% for a simplified model with reasonable layer thicknesses. Thus, the present pipeline is a fast and efficient means towards personalized head models with less complexity involved in characterizing tissue interfaces, while enabling accurate predictions of electric field distribution.
Principle Study of Head Meridian Acupoint Massage to Stress Release via Grey Data Model Analysis.
Lee, Ya-Ting
2016-01-01
This paper presents the scientific study of the effectiveness and action principle of head meridian acupoint massage by applying the grey data model analysis approach. First, the head massage procedure for massaging the important head meridian acupuncture points including Taiyang, Fengfu, Tianzhu, Fengqi, and Jianjing is formulated in a standard manner. Second, the status of the autonomic nervous system of each subject is evaluated by using the heart rate variability analyzer before and after the head massage following four weeks. Afterward, the physiological factors of autonomic nerves are quantitatively analyzed by using the grey data modeling theory. The grey data analysis can point out that the status of autonomic nervous system is greatly improved after the massage. The order change of the grey relationship weighting of physiological factors shows the action principle of the sympathetic and parasympathetic nerves when performing head massage. In other words, the grey data model is able to distinguish the detailed interaction of the autonomic nervous system and the head meridian acupoint massage. Thus, the stress relaxing effect of massaging head meridian acupoints is proved, which is lacked in literature. The results can be a reference principle for massage health care in practice.
A Statistical Skull Geometry Model for Children 0-3 Years Old
Li, Zhigang; Park, Byoung-Keon; Liu, Weiguo; Zhang, Jinhuan; Reed, Matthew P.; Rupp, Jonathan D.; Hoff, Carrie N.; Hu, Jingwen
2015-01-01
Head injury is the leading cause of fatality and long-term disability for children. Pediatric heads change rapidly in both size and shape during growth, especially for children under 3 years old (YO). To accurately assess the head injury risks for children, it is necessary to understand the geometry of the pediatric head and how morphologic features influence injury causation within the 0–3 YO population. In this study, head CT scans from fifty-six 0–3 YO children were used to develop a statistical model of pediatric skull geometry. Geometric features important for injury prediction, including skull size and shape, skull thickness and suture width, along with their variations among the sample population, were quantified through a series of image and statistical analyses. The size and shape of the pediatric skull change significantly with age and head circumference. The skull thickness and suture width vary with age, head circumference and location, which will have important effects on skull stiffness and injury prediction. The statistical geometry model developed in this study can provide a geometrical basis for future development of child anthropomorphic test devices and pediatric head finite element models. PMID:25992998
A statistical skull geometry model for children 0-3 years old.
Li, Zhigang; Park, Byoung-Keon; Liu, Weiguo; Zhang, Jinhuan; Reed, Matthew P; Rupp, Jonathan D; Hoff, Carrie N; Hu, Jingwen
2015-01-01
Head injury is the leading cause of fatality and long-term disability for children. Pediatric heads change rapidly in both size and shape during growth, especially for children under 3 years old (YO). To accurately assess the head injury risks for children, it is necessary to understand the geometry of the pediatric head and how morphologic features influence injury causation within the 0-3 YO population. In this study, head CT scans from fifty-six 0-3 YO children were used to develop a statistical model of pediatric skull geometry. Geometric features important for injury prediction, including skull size and shape, skull thickness and suture width, along with their variations among the sample population, were quantified through a series of image and statistical analyses. The size and shape of the pediatric skull change significantly with age and head circumference. The skull thickness and suture width vary with age, head circumference and location, which will have important effects on skull stiffness and injury prediction. The statistical geometry model developed in this study can provide a geometrical basis for future development of child anthropomorphic test devices and pediatric head finite element models.
Principle Study of Head Meridian Acupoint Massage to Stress Release via Grey Data Model Analysis
Lee, Ya-Ting
2016-01-01
This paper presents the scientific study of the effectiveness and action principle of head meridian acupoint massage by applying the grey data model analysis approach. First, the head massage procedure for massaging the important head meridian acupuncture points including Taiyang, Fengfu, Tianzhu, Fengqi, and Jianjing is formulated in a standard manner. Second, the status of the autonomic nervous system of each subject is evaluated by using the heart rate variability analyzer before and after the head massage following four weeks. Afterward, the physiological factors of autonomic nerves are quantitatively analyzed by using the grey data modeling theory. The grey data analysis can point out that the status of autonomic nervous system is greatly improved after the massage. The order change of the grey relationship weighting of physiological factors shows the action principle of the sympathetic and parasympathetic nerves when performing head massage. In other words, the grey data model is able to distinguish the detailed interaction of the autonomic nervous system and the head meridian acupoint massage. Thus, the stress relaxing effect of massaging head meridian acupoints is proved, which is lacked in literature. The results can be a reference principle for massage health care in practice. PMID:26904144
NASA Astrophysics Data System (ADS)
Vishnoi, Gargi; Hielscher, Andreas H.; Ramanujam, Nirmala; Chance, Britton
2000-04-01
In this work experimental tissue phantoms and numerical models were developed to estimate photon migration through the fetal head in utero. The tissue phantoms incorporate a fetal head within an amniotic fluid sac surrounded by a maternal tissue layer. A continuous wave, dual-wavelength ((lambda) equals 760 and 850 nm) spectrometer was employed to make near-infrared measurements on the tissue phantoms for various source-detector separations, fetal-head positions, and fetal-head optical properties. In addition, numerical simulations of photon propagation were performed with finite-difference algorithms that provide solutions to the equation of radiative transfer as well as the diffusion equation. The simulations were compared with measurements on tissue phantoms to determine the best numerical model to describe photon migration through the fetal head in utero. Evaluation of the results indicates that tissue phantoms in which the contact between fetal head and uterine wall is uniform best simulates the fetal head in utero for near-term pregnancies. Furthermore, we found that maximum sensitivity to the head can be achieved if the source of the probe is positioned directly above the fetal head. By optimizing the source-detector separation, this signal originating from photons that have traveled through the fetal head can drastically be increased.
Mohammadi, Abbas; Daemi, Hamed; Barikani, Mehdi
2014-08-01
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.
High particulate iron(II) content in glacially sourced dusts enhances productivity of a model diatom
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.
2017-01-01
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
Lee, Kyung-Min; Song, Jin-Myoung; Cho, Jin-Hyoung; Hwang, Hyeon-Shik
2016-01-01
The purpose of this study was to investigate the influence of head motion on the accuracy of three-dimensional (3D) reconstruction with cone-beam computed tomography (CBCT) scan. Fifteen dry skulls were incorporated into a motion controller which simulated four types of head motion during CBCT scan: 2 horizontal rotations (to the right/to the left) and 2 vertical rotations (upward/downward). Each movement was triggered to occur at the start of the scan for 1 second by remote control. Four maxillofacial surface models with head motion and one control surface model without motion were obtained for each skull. Nine landmarks were identified on the five maxillofacial surface models for each skull, and landmark identification errors were compared between the control model and each of the models with head motion. Rendered surface models with head motion were similar to the control model in appearance; however, the landmark identification errors showed larger values in models with head motion than in the control. In particular, the Porion in the horizontal rotation models presented statistically significant differences (P < .05). Statistically significant difference in the errors between the right and left side landmark was present in the left side rotation which was opposite direction to the scanner rotation (P < .05). Patient movement during CBCT scan might cause landmark identification errors on the 3D surface model in relation to the direction of the scanner rotation. Clinicians should take this into consideration to prevent patient movement during CBCT scan, particularly horizontal movement.
Modeling length-tension properties of RCPm muscles during voluntary retraction of the head.
Hallgren, Richard C
2014-08-01
Head retraction exercises are one of several commonly used clinical tools that are used to assess and treat patients with head and neck pain and to aid in restoration of a normal neutral head posture. Retraction of the head results in flexion of the occipitoatlantal (OA) joint and stretching of rectus capitis posterior minor (RCPm) muscles. The role that retraction of the head might have in treating head and neck pain patients is currently unknown. RCPm muscles arise from the posterior tubercle of the posterior arch of C1 and insert into the occipital bone inferior to the inferior nuchal line and lateral to the midline. RCPm muscles are the only muscles that attach to the posterior arch of C1. The functional role of RCPm muscles has not been clearly defined. The goal of this project was to develop a three-dimensional, computer-based biomechanical model of the posterior aspect of the OA joint. This model should help clarify why voluntary head retraction exercises seem to contribute to the resolution of head and neck pain and restoration of a normal head posture in some patients. The model documents that length-tension properties of RCPm muscles are significantly affected by variations in the physical properties of the musculotendonous unit. The model suggests that variations in the cross sectional area of RCPm muscles due to pathologies that weaken the muscle, such as muscle atrophy, may reduce the ability of these muscles to generate levels of force that are necessary for the performance of normal, daily activities. The model suggests that the main benefit of the initial phase of head retraction exercises may be to strengthen RCPm muscles through eccentric contractions, and that the main benefit of the final phase of retraction may be to stretch the muscles as the final position is held. Copyright © 2014 Elsevier Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
Stratis, A.; Zhang, G.; Jacobs, R.; Bogaerts, R.; Bosmans, H.
2016-12-01
In order to carry out Monte Carlo (MC) dosimetry studies, voxel phantoms, modeling human anatomy, and organ-based segmentation of CT image data sets are applied to simulation frameworks. The resulting voxel phantoms preserve patient CT acquisition geometry; in the case of head voxel models built upon head CT images, the head support with which CT scanners are equipped introduces an inclination to the head, and hence to the head voxel model. In dental cone beam CT (CBCT) imaging, patients are always positioned in such a way that the Frankfort line is horizontal, implying that there is no head inclination. The orientation of the head is important, as it influences the distance of critical radiosensitive organs like the thyroid and the esophagus from the x-ray tube. This work aims to propose a procedure to adjust head voxel phantom orientation, and to investigate the impact of head inclination on organ doses in dental CBCT MC dosimetry studies. The female adult ICRP, and three in-house-built paediatric voxel phantoms were in this study. An EGSnrc MC framework was employed to simulate two commonly used protocols; a Morita Accuitomo 170 dental CBCT scanner (FOVs: 60 × 60 mm2 and 80 × 80 mm2, standard resolution), and a 3D Teeth protocol (FOV: 100 × 90 mm2) in a Planmeca Promax 3D MAX scanner. Result analysis revealed large absorbed organ dose differences in radiosensitive organs between the original and the geometrically corrected voxel models of this study, ranging from -45.6% to 39.3%. Therefore, accurate dental CBCT MC dose calculations require geometrical adjustments to be applied to head voxel models.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wu, Tao; Kukkadapu, Ravi K.; Griffin, Aron M.
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
Walters, Daniel; Stringer, Simon; Rolls, Edmund
2013-01-01
The head direction cell system is capable of accurately updating its current representation of head direction in the absence of visual input. This is known as the path integration of head direction. An important question is how the head direction cell system learns to perform accurate path integration of head direction. In this paper we propose a model of velocity path integration of head direction in which the natural time delay of axonal transmission between a linked continuous attractor network and competitive network acts as a timing mechanism to facilitate the correct speed of path integration. The model effectively learns a "look-up" table for the correct speed of path integration. In simulation, we show that the model is able to successfully learn two different speeds of path integration across two different axonal conduction delays, and without the need to alter any other model parameters. An implication of this model is that, by learning look-up tables for each speed of path integration, the model should exhibit a degree of robustness to damage. In simulations, we show that the speed of path integration is not significantly affected by degrading the network through removing a proportion of the cells that signal rotational velocity.
Walters, Daniel; Stringer, Simon; Rolls, Edmund
2013-01-01
The head direction cell system is capable of accurately updating its current representation of head direction in the absence of visual input. This is known as the path integration of head direction. An important question is how the head direction cell system learns to perform accurate path integration of head direction. In this paper we propose a model of velocity path integration of head direction in which the natural time delay of axonal transmission between a linked continuous attractor network and competitive network acts as a timing mechanism to facilitate the correct speed of path integration. The model effectively learns a “look-up” table for the correct speed of path integration. In simulation, we show that the model is able to successfully learn two different speeds of path integration across two different axonal conduction delays, and without the need to alter any other model parameters. An implication of this model is that, by learning look-up tables for each speed of path integration, the model should exhibit a degree of robustness to damage. In simulations, we show that the speed of path integration is not significantly affected by degrading the network through removing a proportion of the cells that signal rotational velocity. PMID:23526976
Gómez, Fátima Somovilla; Lorza, Rubén Lostado; Bobadilla, Marina Corral; García, Rubén Escribano
2017-09-21
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.
Somovilla Gómez, Fátima
2017-01-01
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
NASA Astrophysics Data System (ADS)
Mahmoodian, R.; Rahbari, R. G.; Hamdi, M.; Hassan, M. A.; Sparham, Mahdi
2013-01-01
Produced ceramic-lined steel pipe using the self-propagating high-temperature synthesis (SHS) method has found uses in many applications. A SHS-centrifugal machine was designed to produce a ceramic-lined steel pipe from ferric oxide and aluminum powder (thermite mixture) under high centrifugal acceleration. The obtained products are expected to be Al2O3 ceramic in the innermost layer and a Fe layer in a region between the outer steel pipes. In the present work, specific regions of a pipe was particularly observed to investigate the stuck (dead) spaces at the pipe head because of its importance in further processes (joining, welding, etc.) which may affect the quality of the next operations. In this article, the product's composition, phase separation, microhardness, and surface finish were studied on three zones of the pipe.
Bat head contains soft magnetic particles: evidence from magnetism.
Tian, Lanxiang; Lin, Wei; Zhang, Shuyi; Pan, Yongxin
2010-10-01
Recent behavioral observations have indicated that bats can sense the Earth's magnetic field. To unravel the magnetoreception mechanism, the present study has utilized magnetic measurements on three migratory species (Miniopterus fuliginosus, Chaerephon plicata, and Nyctalus plancyi) and three non-migratory species (Hipposideros armiger, Myotis ricketti, and Rhinolophus ferrumequinum). Room temperature isothermal remanent magnetization acquisition and alternating-field demagnetization showed that the bats' heads contain soft magnetic particles. Statistical analyses indicated that the saturation isothermal remanent magnetization of brains (SIRM(1T_brain)) of migratory species is higher than those of non-migratory species. Furthermore, the SIRM(1T_brain) of migratory bats is greater than their SIRM(1T_skull). Low-temperature magnetic measurements suggested that the magnetic particles are likely magnetite (Fe3O4). This new evidence supports the assumption that some bats use magnetite particles for sensing and orientation in the Earth's magnetic field.
[Establishment of a 3D finite element model of human skull using MSCT images and mimics software].
Huang, Ping; Li, Zheng-dong; Shao, Yu; Zou, Dong-hua; Liu, Ning-guo; Li, Li; Chen, Yuan-yuan; Wan, Lei; Chen, Yi-jiu
2011-02-01
To establish a human 3D finite element skull model, and to explore its value in biomechanics analysis. The cadaveric head was scanned and then 3D skull model was created using Mimics software based on 2D CT axial images. The 3D skull model was optimized by preprocessor along with creation of the surface and volume meshes. The stress changes, after the head was struck by an object or the head hit the ground directly, were analyzed using ANSYS software. The original 3D skull model showed a large number of triangles with a poor quality and high similarity with the real head, while the optimized model showed high quality surface and volume meshes with a small number of triangles comparatively. The model could show the local and global stress changes effectively. The human 3D skull model can be established using MSCT and Mimics software and provides a good finite element model for biomechanics analysis. This model may also provide a base for the study of head stress changes following different forces.
Zhu, Rui; Zander, Thomas; Dreischarf, Marcel; Duda, Georg N; Rohlmann, Antonius; Schmidt, Hendrik
2013-04-26
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.
Model of head-neck joint fast movements in the frontal plane.
Pedrocchi, A; Ferrigno, G
2004-06-01
The objective of this work is to develop a model representing the physiological systems driving fast head movements in frontal plane. All the contributions occurring mechanically in the head movement are considered: damping, stiffness, physiological limit of range of motion, gravitational field, and muscular torques due to voluntary activation as well as to stretch reflex depending on fusal afferences. Model parameters are partly derived from the literature, when possible, whereas undetermined block parameters are determined by optimising the model output, fitting to real kinematics data acquired by a motion capture system in specific experimental set-ups. The optimisation for parameter identification is performed by genetic algorithms. Results show that the model represents very well fast head movements in the whole range of inclination in the frontal plane. Such a model could be proposed as a tool for transforming kinematics data on head movements in 'neural equivalent data', especially for assessing head control disease and properly planning the rehabilitation process. In addition, the use of genetic algorithms seems to fit well the problem of parameter identification, allowing for the use of a very simple experimental set-up and granting model robustness.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bai, Xianming; Biner, Suleyman Bulent; Jiang, Chao
2015-12-01
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
NASA Astrophysics Data System (ADS)
Oeser, Martin; Dohmen, Ralf; Horn, Ingo; Schuth, Stephan; Weyer, Stefan
2015-04-01
In this study, we applied high-precision in situ Fe and Mg isotope analyses by femtosecond laser ablation (fs-LA) MC-ICP-MS on chemically zoned olivine xeno- and phenocrysts from intra-plate volcanic regions in order to investigate the magnitude of Fe and Mg isotope fractionation and its suitability to gain information on magma evolution. Our results show that chemical zoning (i.e., Mg#) in magmatic olivines is commonly associated with significant zoning in δ56Fe and δ26Mg (up to 1.7‰ and 0.7‰, respectively). We explored different cases of kinetic fractionation of Fe and Mg isotopes by modeling diffusion in the melt or olivine and simultaneous growth or dissolution. Combining the information of chemical and isotopic zoning in olivine allows to distinguish between various processes that may occur during magma evolution, namely diffusive Fe-Mg exchange between olivine and melt, rapid crystal growth, and Fe-Mg inter-diffusion simultaneous to crystal dissolution or growth. Chemical diffusion in olivine appears to be the dominant process that drives isotope fractionation in magmatic olivine. Simplified modeling of Fe and Mg diffusion is suitable to reproduce both the chemical and the isotopic zoning in most of the investigated olivines and, additionally, provides time information about magmatic processes. For the Massif Central (France), modeling of diffusive re-equilibration of mantle olivines in basanites revealed a short time span (<2 years) between the entrainment of a mantle xenolith in an intra-plate basaltic magma and the eruption of the magma. Furthermore, we determined high cooling rates (on the order of a few tens to hundreds of °C per year) for basanite samples from a single large outcrop in the Massif Central, which probably reflects the cooling of a massive lava flow after eruption. Results from the modeling of Fe and Mg isotope fractionation in olivine point to a systematic difference between βFe and βMg (i.e., βFe/βMg ≈ 2), implying that the diffusivity ratio of 54Fe and 56Fe (i.e., D54Fe/D56Fe) is very similar to that of 24Mg and 26Mg, despite the smaller relative mass difference for the 54Fe-56Fe pair. This study demonstrates that a combined investigation of Fe-Mg chemical and isotopic zoning in olivine provides additional and more reliable information on magma evolution than chemical zoning alone.
Effects of spin transition on diffusion of Fe2+ in ferropericlase in Earth's lower mantle
NASA Astrophysics Data System (ADS)
Saha, Saumitra; Bengtson, Amelia; Crispin, Katherine L.; van Orman, James A.; Morgan, Dane
2011-11-01
Knowledge of Fe composition in lower-mantle minerals (primarily perovskite and ferropericlase) is essential to a complete understanding of the Earth's interior. Fe cation diffusion potentially controls many aspects of the distribution of Fe in the Earth's lower mantle, including mixing of chemical heterogeneities, element partitioning, and the extent of core-mantle communications. Fe in ferropericlase has been shown to undergo a spin transition starting at about 40 GPa and exists in a mixture of high-spin and low-spin states over a wide range of pressures. Present experimental data on Fe transport in ferropericlase is limited to pressures below 35 GPa and provides little information on the pressure dependence of the activation volume and none on the impact of the spin transition on diffusion. Therefore, known experimental data on Fe diffusion cannot be reliably extrapolated to predict diffusion throughout the lower mantle. Here, first-principles and statistical modeling are combined to predict diffusion of Fe in ferropericlase over the entire lower mantle, including the effects of the Fe spin transition. A thorough statistical thermodynamic treatment is given to fully incorporate the coexistence of high- and low-spin Fe in the model of overall Fe diffusion in the lower mantle. Pure low-spin Fe diffuses approximately 104 times slower than high-spin Fe in ferropericlase but Fe diffusion of the mixed-spin state is only about 10 times slower than that of high-spin Fe. The predicted Fe diffusivities demonstrate that ferropericlase is unlikely to be rate limiting in transporting Fe in deep earth since much slower Fe diffusion in perovskite is predicted.
Kinetics of FeII-polyaminocarboxylate oxidation by molecular oxygen
NASA Astrophysics Data System (ADS)
Wilson, Jessica M.; Farley, Kevin J.; Carbonaro, Richard F.
2018-03-01
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.
Selb, Juliette; Ogden, Tyler M.; Dubb, Jay; Fang, Qianqian; Boas, David A.
2014-01-01
Abstract. Near-infrared spectroscopy (NIRS) estimations of the adult brain baseline optical properties based on a homogeneous model of the head are known to introduce significant contamination from extracerebral layers. More complex models have been proposed and occasionally applied to in vivo data, but their performances have never been characterized on realistic head structures. Here we implement a flexible fitting routine of time-domain NIRS data using graphics processing unit based Monte Carlo simulations. We compare the results for two different geometries: a two-layer slab with variable thickness of the first layer and a template atlas head registered to the subject’s head surface. We characterize the performance of the Monte Carlo approaches for fitting the optical properties from simulated time-resolved data of the adult head. We show that both geometries provide better results than the commonly used homogeneous model, and we quantify the improvement in terms of accuracy, linearity, and cross-talk from extracerebral layers. PMID:24407503
Head Motion Modeling for Human Behavior Analysis in Dyadic Interaction
Xiao, Bo; Georgiou, Panayiotis; Baucom, Brian; Narayanan, Shrikanth S.
2015-01-01
This paper presents a computational study of head motion in human interaction, notably of its role in conveying interlocutors’ behavioral characteristics. Head motion is physically complex and carries rich information; current modeling approaches based on visual signals, however, are still limited in their ability to adequately capture these important properties. Guided by the methodology of kinesics, we propose a data driven approach to identify typical head motion patterns. The approach follows the steps of first segmenting motion events, then parametrically representing the motion by linear predictive features, and finally generalizing the motion types using Gaussian mixture models. The proposed approach is experimentally validated using video recordings of communication sessions from real couples involved in a couples therapy study. In particular we use the head motion model to classify binarized expert judgments of the interactants’ specific behavioral characteristics where entrainment in head motion is hypothesized to play a role: Acceptance, Blame, Positive, and Negative behavior. We achieve accuracies in the range of 60% to 70% for the various experimental settings and conditions. In addition, we describe a measure of motion similarity between the interaction partners based on the proposed model. We show that the relative change of head motion similarity during the interaction significantly correlates with the expert judgments of the interactants’ behavioral characteristics. These findings demonstrate the effectiveness of the proposed head motion model, and underscore the promise of analyzing human behavioral characteristics through signal processing methods. PMID:26557047
Keshvari, J; Kivento, M; Christ, A; Bit-Babik, G
2016-04-21
This paper presents the results of two computational large scale studies using highly realistic exposure scenarios, MRI based human head and hand models, and two mobile phone models. The objectives are (i) to study the relevance of age when people are exposed to RF by comparing adult and child heads and (ii) to analyze and discuss the conservativeness of the SAM phantom for all age groups. Representative use conditions were simulated using detailed CAD models of two mobile phones operating between 900 MHz and 1950 MHz including configurations with the hand holding the phone, which were not considered in most previous studies. The peak spatial-average specific absorption rate (psSAR) in the head and the pinna tissues is assessed using anatomically accurate head and hand models. The first of the two mentioned studies involved nine head-, four hand- and two phone-models, the second study included six head-, four hand- and three simplified phone-models (over 400 configurations in total). In addition, both studies also evaluated the exposure using the SAM phantom. Results show no systematic differences between psSAR induced in the adult and child heads. The exposure level and its variation for different age groups may be different for particular phones, but no correlation between psSAR and model age was found. The psSAR from all exposure conditions was compared to the corresponding configurations using SAM, which was found to be conservative in the large majority of cases.
NASA Astrophysics Data System (ADS)
Keshvari, J.; Kivento, M.; Christ, A.; Bit-Babik, G.
2016-04-01
This paper presents the results of two computational large scale studies using highly realistic exposure scenarios, MRI based human head and hand models, and two mobile phone models. The objectives are (i) to study the relevance of age when people are exposed to RF by comparing adult and child heads and (ii) to analyze and discuss the conservativeness of the SAM phantom for all age groups. Representative use conditions were simulated using detailed CAD models of two mobile phones operating between 900 MHz and 1950 MHz including configurations with the hand holding the phone, which were not considered in most previous studies. The peak spatial-average specific absorption rate (psSAR) in the head and the pinna tissues is assessed using anatomically accurate head and hand models. The first of the two mentioned studies involved nine head-, four hand- and two phone-models, the second study included six head-, four hand- and three simplified phone-models (over 400 configurations in total). In addition, both studies also evaluated the exposure using the SAM phantom. Results show no systematic differences between psSAR induced in the adult and child heads. The exposure level and its variation for different age groups may be different for particular phones, but no correlation between psSAR and model age was found. The psSAR from all exposure conditions was compared to the corresponding configurations using SAM, which was found to be conservative in the large majority of cases.
Analysis of RF exposure in the head tissues of children and adults
NASA Astrophysics Data System (ADS)
Wiart, J.; Hadjem, A.; Wong, M. F.; Bloch, I.
2008-07-01
This paper analyzes the radio frequencies (RF) exposure in the head tissues of children using a cellular handset or RF sources (a dipole and a generic handset) at 900, 1800, 2100 and 2400 MHz. Based on magnetic resonance imaging, child head models have been developed. The maximum specific absorption rate (SAR) over 10 g in the head has been analyzed in seven child and six adult heterogeneous head models. The influence of the variability in the same age class is carried out using models based on a morphing technique. The SAR over 1 g in specific tissues has also been assessed in the different types of child and adult head models. Comparisons are performed but nevertheless need to be confirmed since they have been derived from data sets of limited size. The simulations that have been performed show that the differences between the maximum SAR over 10 g estimated in the head models of the adults and the ones of the children are small compared to the standard deviations. But they indicate that the maximum SAR in 1 g of peripheral brain tissues of the child models aged between 5 and 8 years is about two times higher than in adult models. This difference is not observed for the child models of children above 8 years old: the maximum SAR in 1 g of peripheral brain tissues is about the same as the one in adult models. Such differences can be explained by the lower thicknesses of pinna, skin and skull of the younger child models.
NASA Astrophysics Data System (ADS)
Singh, Sarabjeet; Howard, Carl Q.; Hansen, Colin H.; Köpke, Uwe G.
2018-03-01
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.
Modeling a Common-Source Amplifier Using a Ferroelectric Transistor
NASA Technical Reports Server (NTRS)
Sayyah, Rana; Hunt, Mitchell; MacLeond, Todd C.; Ho, Fat D.
2010-01-01
This paper presents a mathematical model characterizing the behavior of a common-source 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 common-source amplifier is the most widely used amplifier in MOS technology, understanding and modeling the behavior of the FeFET-based common-source amplifier will help in the integration of FeFETs into many circuits.
Imaging the equilibrium state and magnetization dynamics of partially built hard disk write heads
DOE Office of Scientific and Technical Information (OSTI.GOV)
Valkass, R. A. J., E-mail: rajv202@ex.ac.uk; Yu, W.; Shelford, L. R.
Four different designs of partially built hard disk write heads with a yoke comprising four repeats of NiFe (1 nm)/CoFe (50 nm) were studied by both x-ray photoemission electron microscopy (XPEEM) and time-resolved scanning Kerr microscopy (TRSKM). These techniques were used to investigate the static equilibrium domain configuration and the magnetodynamic response across the entire structure, respectively. Simulations and previous TRSKM studies have made proposals for the equilibrium domain configuration of similar structures, but no direct observation of the equilibrium state of the writers has yet been made. In this study, static XPEEM images of the equilibrium state of writer structures weremore » acquired using x-ray magnetic circular dichroism as the contrast mechanism. These images suggest that the crystalline anisotropy dominates the equilibrium state domain configuration, but competition with shape anisotropy ultimately determines the stability of the equilibrium state. Dynamic TRSKM images were acquired from nominally identical devices. These images suggest that a longer confluence region may hinder flux conduction from the yoke into the pole tip: the shorter confluence region exhibits clear flux beaming along the symmetry axis, whereas the longer confluence region causes flux to conduct along one edge of the writer. The observed variations in dynamic response agree well with the differences in the equilibrium magnetization configuration visible in the XPEEM images, confirming that minor variations in the geometric design of the writer structure can have significant effects on the process of flux beaming.« less
The Analysis of Adhesively Bonded Advanced Composite Joints Using Joint Finite Elements
NASA Technical Reports Server (NTRS)
Stapleton, Scott E.; Waas, Anthony M.
2012-01-01
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.
Concept and development of an orthotropic FE model of the proximal femur.
Wirtz, Dieter Christian; Pandorf, Thomas; Portheine, Frank; Radermacher, Klaus; Schiffers, Norbert; Prescher, Andreas; Weichert, Dieter; Niethard, Fritz Uwe
2003-02-01
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).
Human recognition based on head-shoulder contour extraction and BP neural network
NASA Astrophysics Data System (ADS)
Kong, Xiao-fang; Wang, Xiu-qin; Gu, Guohua; Chen, Qian; Qian, Wei-xian
2014-11-01
In practical application scenarios like video surveillance and human-computer interaction, human body movements are uncertain because the human body is a non-rigid object. Based on the fact that the head-shoulder part of human body can be less affected by the movement, and will seldom be obscured by other objects, in human detection and recognition, a head-shoulder model with its stable characteristics can be applied as a detection feature to describe the human body. In order to extract the head-shoulder contour accurately, a head-shoulder model establish method with combination of edge detection and the mean-shift algorithm in image clustering has been proposed in this paper. First, an adaptive method of mixture Gaussian background update has been used to extract targets from the video sequence. Second, edge detection has been used to extract the contour of moving objects, and the mean-shift algorithm has been combined to cluster parts of target's contour. Third, the head-shoulder model can be established, according to the width and height ratio of human head-shoulder combined with the projection histogram of the binary image, and the eigenvectors of the head-shoulder contour can be acquired. Finally, the relationship between head-shoulder contour eigenvectors and the moving objects will be formed by the training of back-propagation (BP) neural network classifier, and the human head-shoulder model can be clustered for human detection and recognition. Experiments have shown that the method combined with edge detection and mean-shift algorithm proposed in this paper can extract the complete head-shoulder contour, with low calculating complexity and high efficiency.
Di Mattia, Diana; Fondevila, Dolores; Abramo, Francesca; Fondati, Alessandra
2018-06-01
Head and neck ulcers in cats can arise from allergic and nonallergic disorders, including feline leishmaniosis (FeL). It is important to rule out this aetiological agent in regions that are endemic for canine leishmaniosis, because the drugs used to treat immune-mediated disorders of cats can be contraindicated in the setting of infection. The aim of this study was to evaluate the skin of cats with ulcerative dermatitis of the head or neck for evidence of Leishmania infection using combined immunohistochemistry (IHC) and Polymerase Chain Reaction (PCR). An IHC for tissue histiocytes was also utilized because leishmaniosis may provoke a histiocytic inflammatory response. Twenty seven cats with head and/or neck ulcers. Skin biopsy specimens were examined for the presence of Leishmania spp. by routine histopathological evaluation and IHC using a polyclonal anti-Leishmania antibody, and by quantitative PCR (qPCR). The ionized calcium-binding adapter molecule-1 (IBA-1) antibody was used to immunolocalize histiocytes. Selected history and clinical data were recorded. All specimens showed a superficial mid-perivascular mixed inflammatory infiltrate. The presence of histiocytes was confirmed in 23 of 27 cases with the IBA-1 antibody. Immunohistochemistry and qPCR techniques confirmed the absence of Leishmania in all cases. Leishmania did not seem to play a role in the pathogenesis of feline ulcerative dermatitis of the head and neck in the subjects studied, despite a lifestyle potentially associated with infection. Histiocytic infiltration of tissue is not a specific marker for Leishmania infection in this population. © 2018 ESVD and ACVD.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Veyette, Mark J.; Muirhead, Philip S.; Mann, Andrew W.
We present near-infrared (NIR) synthetic spectra based on PHOENIX stellar atmosphere models of typical early and mid-M dwarfs with varied C and O abundances. We apply multiple recently published methods for determining M dwarf metallicity to our models to determine the effects of C and O abundances on metallicity indicators. We find that the pseudo-continuum level is very sensitive to C/O and that all metallicity indicators show a dependence on C and O abundances, especially in lower T {sub eff} models. In some cases, the inferred metallicity ranges over a full order of magnitude (>1 dex) when [C/Fe] and [O/Fe]more » are varied independently by ±0.2. We also find that [(O−C)/Fe], the difference in O and C abundances, is a better tracer of the pseudo-continuum level than C/O. Models of mid-M dwarfs with [C/Fe], [O/Fe], and [M/H] that are realistic in the context of galactic chemical evolution suggest that variation in [(O−C)/Fe] is the primary physical mechanism behind the M dwarf metallicity tracers investigated here. Empirically calibrated metallicity indicators are still valid for most nearby M dwarfs due to the tight correlation between [(O−C)/Fe] and [Fe/H] evident in spectroscopic surveys of solar neighborhood FGK stars. Variations in C and O abundances also affect the spectral energy distribution of M dwarfs. Allowing [O/Fe] to be a free parameter provides better agreement between the synthetic spectra and observed spectra of metal-rich M dwarfs. We suggest that flux-calibrated, low-resolution, NIR spectra can provide a path toward measuring C and O abundances in M dwarfs and breaking the degeneracy between C/O and [Fe/H] present in M dwarf metallicity indicators.« less
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
Tako, Elad; Hoekenga, Owen A; Kochian, Leon V; Glahn, Raymond P
2013-01-04
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.
2015-01-01
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
Cockrell, Allison; McCormick, Sean P; Moore, Michael J; Chakrabarti, Mrinmoy; Lindahl, Paul A
2014-05-13
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.
2013-01-01
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
Wang, Sicong; Wang, Lizhen; Wang, Yawei; Du, Chengfei; Zhang, Ming; Fan, Yubo
2017-01-01
In recent years, a combination of traction and vibration therapy is usually used to alleviate low back pain (LBP) in clinical settings. Combining head-down tilt (HDT) traction with vibration was demonstrated to be efficacious for LBP patients in our previous study. However, the biomechanics of the lumbar spine during this combined treatment is not well known and need quantitative analysis. In addition, LBP patients have different grades of degeneration of the lumbar spinal structure, which are often age related. Selecting a suitable rehabilitation therapy for different age groups of patients has been challenging. Therefore, a finite element (FE) model of the L1-L5 lumbar spine and a vibration dynamic model are developed in this study in order to investigate the biomechanical effects of the combination of HDT traction and vibration therapy on the age-related degeneration of the lumbar spine. The decrease of intradiscal pressure is more effective when vibration is combined with traction therapy. Moreover, the stresses on the discs are lower in the "traction+vibration" mode than the "traction-only" mode. The stress concentration at the posterior part of nucleus is mitigated after the vibration is combined. The disc deformations especially posterior disc radial retraction is improved in the "traction+vibration" mode. These beneficial effects of this therapy could help decompress the discs and spinal nerves and therefore relieve LBP. Simultaneously, patients with grade 1 degeneration (approximately 41-50 years old) are able to achieve better results compared with other age groups. This study could be used to provide a more effective LBP rehabilitation therapy. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.
Resonant photoemission study of pyrite-type NiS2, CoS2 and FeS2
NASA Astrophysics Data System (ADS)
Fujimori, A.; Mamiya, K.; Mizokawa, T.; Miyadai, T.; Sekiguchi, T.; Takahashi, H.; Môri, N.; Suga, S.
1996-12-01
The electronic structure of pyrite-type NiS2, CoS2, and FeS2 has been studied by photoemission spectroscopy. From resonant photoemission studies and configuration-interaction cluster-model analysis of the spectra, NiS2 is found to be a charge-transfer-type insulator, the band gap of which is formed between the occupied S 3p and the empty Ni 3d states. Cluster-model calculations indicate that the short Fe-S distance favors the low-spin (S=0) ground state in FeS2 compared to the high-spin FeS. Resonant photoemission results indicate a sign of electron correlation in the nonmagnetic semiconductor FeS2.
Zhu, Rui; Rohlmann, Antonius
2014-06-01
In only a few published finite element (FE) simulations have muscle forces been applied to the spine. Recently, muscle forces determined using an inverse static (IS) model of the spine were transferred to a spinal FE model, and the effect of methodical parameters was investigated. However, the sensitivity of anthropometric differences between FE and IS models, such as body height and spinal orientation, was not considered. The aim of this sensitivity study was to determine the influence of those differences on the intervertebral rotations (IVRs) following the transfer of muscle forces from an IS model to a FE model. Muscle forces were estimated for 20° flexion and 10° extension of the upper body using an inverse static musculoskeletal model. These forces were subsequently transferred to a nonlinear FE model of the spino-pelvic complex, which includes 243 muscle fascicles. Deviations of body height (±10 cm), spinal orientation in the sagittal plane (±10°), and body weight (±10 kg) between both models were intentionally generated, and their influences on IVRs were determined. The changes in each factor relative to their corresponding reference value of the IS model were calculated. Deviations in body height, spinal orientation, and body weight resulted in maximum changes in the IVR of 19.2%, 26% and 4.2%, respectively, relative to T12-S1 IVR. When transferring muscle forces from an IS to a FE model, it is crucial that both models have the same spinal orientation and height. Additionally, the body weight should be equal in both models.
Modeling 13.3nm Fe XXIII Flare Emissions Using the GOES-R EXIS Instrument
NASA Astrophysics Data System (ADS)
Rook, H.; Thiemann, E.
2017-12-01
The solar EUV spectrum is dominated by atomic transitions in ionized atoms in the solar atmosphere. As solar flares evolve, plasma temperatures and densities change, influencing abundances of various ions, changing intensities of different EUV wavelengths observed from the sun. Quantifying solar flare spectral irradiance is important for constraining models of Earth's atmosphere, improving communications quality, and controlling satellite navigation. However, high time cadence measurements of flare irradiance across the entire EUV spectrum were not available prior to the launch of SDO. The EVE MEGS-A instrument aboard SDO collected 0.1nm EUV spectrum data from 2010 until 2014, when the instrument failed. No current or future instrument is capable of similar high resolution and time cadence EUV observation. This necessitates a full EUV spectrum model to study EUV phenomena at Earth. It has been recently demonstrated that one hot flare EUV line, such as the 13.3nm Fe XXIII line, can be used to model cooler flare EUV line emissions, filling the role of MEGS-A. Since unblended measurements of Fe XXIII are typically unavailable, a proxy for the Fe XXIII line must be found. In this study, we construct two models of this line, first using the GOES 0.1-0.8nm soft x-ray (SXR) channel as the Fe XXIII proxy, and second using a physics-based model dependent on GOES emission measure and temperature data. We determine that the more sophisticated physics-based model shows better agreement with Fe XXIII measurements, although the simple proxy model also performs well. We also conclude that the high correlation between Fe XXIII emissions and the GOES 0.1-0.8nm band is because both emissions tend to peak near the GOES emission measure peak despite large differences in their contribution functions.
Kerckhoffs, Roy C. P.; Neal, Maxwell L.; Gu, Quan; Bassingthwaighte, James B.; Omens, Jeff H.; McCulloch, Andrew D.
2010-01-01
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
The Role of Garnet Pyroxenite in High-Fe Mantle Melt Generation: High Pressure Melting Experiments
NASA Astrophysics Data System (ADS)
Tuff, J.; Takahashi, E.; Gibson, S.
2004-12-01
Evidence for the existence of heterogeneous or 'marble cake' convecting mantle1 is provided recently by rare, high MgO ( ˜ 15 wt.%) primitive magmas with anomalously high abundances of FeO* ( ˜ 13.5 to 16 wt. %2,3; where FeO* = total Fe as FeO). These high-Fe mantle melts show a limited occurrence in the initial stage of magmatism in large igneous provinces (e.g. Deccan, Ethiopia and Paraná-Etendeka) and some have incompatible trace-element and radiogenic-isotopic ratios (Sr, Nd and Pb) that resemble those of ocean-island basalts. This suggests that they are predominantly derived from the convecting mantle2. The ferropicrites are mildly- to sub-alkaline and have low contents of Al2O3 (< 10 wt.%) and heavy rare-earth elements (e.g. Lu < 0.18ppm) that are consistent with the increased stability of garnet, due to the high FeO* content in the ferropicrite mantle source. It has been proposed that the source of the high FeO* may be garnet-pyroxenite streaks derived from subducted mafic oceanic crust2. We have undertaken melting experiments between 1 atmosphere and 7 GPa in order to determine the anhydrous phase relations of an uncontaminated ferropicrite lava from the base of the Early-Cretaceous Paraná-Etendeka continental flood-basalt province. The sample has high contents of MgO ( ˜ 14.9 wt.%), FeO* (14.9 wt.%) and NiO (0.07 wt.%). Olivine phenocrysts have maximum Fo contents of 85 and are in equilibrium with the host rock, assuming a Kd of 0.32 and we believe that the sample is representative of a primary Fe-rich mantle plume derived melt. In total, 75 experimental runs were carried out. Melting phase relations as well as compositions and modal proportions of all coexisting phases were successfully determined in 60 run products. Phase relations indicate that the ferropicrite melt was generated either at ˜ 2.2 GPa from an olivine-pyroxene residue or ˜ 5 GPa from a garnet-pyroxene residue. A low bulk-rock Al2O3 content (9 wt.%) and high [Gd/Yb]n ratio (3.1) are consistent with residual garnet in the ferropicrite melt source and favour high-pressure melting of garnet-pyroxenite. The garnet pyroxenite may represent subducted oceanic lithosphere entrained by the upwelling Tristan mantle plume starting-head. During adiabatic decompression, intersection of the garnet pyroxenite solidus at ˜ 5 GPa would occur at mantle potential temperatures of ˜ 1550° C. Subsequent melting of peridotite at ˜ 4.5 GPa may be restricted by the thick overlying sub-continental lithosphere such that dilution of the garnet-pyroxenite component would be significantly less than in intra-plate oceanic settings. This model accounts for the limited occurrence of ferropicrite magma in the initial stage of continental large igneous provinces and its absence in ocean-island basalt successions. 1 Allègre et al., Philosophical Transactions of the Royal Society of London A297, 447-477 (1980). 2 Gibson et al., Earth and Planetary Science Letters 174, 355-374 (2000). 3 Gibson, Earth and Planetary Science Letters 195, 59-74 (2002).
Spectral fitting of SDSS passive galaxies with α-enhanced single stellar populations
NASA Astrophysics Data System (ADS)
Gomes, Jean Michel; Coelho, Paula
2012-08-01
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.
NASA Astrophysics Data System (ADS)
Cooper, Rebecca Elizabeth; Eusterhues, Karin; Wegner, Carl-Eric; Totsche, Kai Uwe; Küsel, Kirsten
2017-11-01
The formation of Fe(III) oxides in natural environments occurs in the presence of natural organic matter (OM), resulting in the formation of OM-mineral complexes that form through adsorption or coprecipitation processes. Thus, microbial Fe(III) reduction in natural environments most often occurs in the presence of OM-mineral complexes rather than pure Fe(III) minerals. This study investigated to what extent does the content of adsorbed or coprecipitated OM on ferrihydrite influence the rate of Fe(III) reduction by Shewanella oneidensis MR-1, a model Fe(III)-reducing microorganism, in comparison to a microbial consortium extracted from the acidic, Fe-rich Schlöppnerbrunnen fen. We found that increased OM content led to increased rates of microbial Fe(III) reduction by S. oneidensis MR-1 in contrast to earlier findings with the model organism Geobacter bremensis. Ferrihydrite-OM coprecipitates were reduced slightly faster than ferrihydrites with adsorbed OM. Surprisingly, the complex microbial consortia stimulated by a mixture of electrons donors (lactate, acetate, and glucose) mimics S. oneidensis under the same experimental Fe(III)-reducing conditions suggesting similar mechanisms of electron transfer whether or not the OM is adsorbed or coprecipitated to the mineral surfaces. We also followed potential shifts of the microbial community during the incubation via 16S rRNA gene sequence analyses to determine variations due to the presence of adsorbed or coprecipitated OM-ferrihydrite complexes in contrast to pure ferrihydrite. Community profile analyses showed no enrichment of typical model Fe(III)-reducing bacteria, such as Shewanella or Geobacter sp., but an enrichment of fermenters (e.g., Enterobacteria) during pure ferrihydrite incubations which are known to use Fe(III) as an electron sink. Instead, OM-mineral complexes favored the enrichment of microbes including Desulfobacteria and Pelosinus sp., both of which can utilize lactate and acetate as an electron donor under Fe(III)-reducing conditions. In summary, this study shows that increasing concentrations of OM in OM-mineral complexes determines microbial Fe(III) reduction rates and shapes the microbial community structure involved in the reductive dissolution of ferrihydrite. Similarities observed between the complex Fe(III)-reducing microbial consortia and the model Fe(III)-reducer S. oneidensis MR-1 suggest electron-shuttling mechanisms dominate in OM-rich environments, including soils, sediments, and fens, where natural OM interacts with Fe(III) oxides during mineral formation.
Ard, Shaun G; Shuman, Nicholas S; Martinez, Oscar; Keyes, Nicholas R; Viggiano, Albert A; Guo, Hua; Troe, Jürgen
2017-06-01
The pressure and temperature dependences of the reactions of Fe + with methyl halides CH 3 X (X = Cl, Br, I) in He were measured in a selected ion flow tube over the ranges 0.4 to 1.2 Torr and 300-600 K. FeX + was observed for all three halides and FeCH 3 + was observed for the CH 3 I reaction. FeCH 3 X + adducts (for all X) were detected in all reactions. The results were interpreted assuming two-state reactivity with spin-inversions between sextet and quartet potentials. Kinetic modeling allowed for a quantitative representation of the experiments and for extrapolation to conditions outside the experimentally accessible range. The modeling required quantum-chemical calculations of molecular parameters and detailed accounting of angular momentum effects. The results show that the FeX + products come via an insertion mechanism, while the FeCH 3 + can be produced from either insertion or S N 2 mechanisms, but the latter we conclude is unlikely at thermal energies. A statistical modeling cannot reproduce the competition between the bimolecular pathways in the CH 3 I reaction, indicating that some more direct process must be important.
NASA Astrophysics Data System (ADS)
Altun, Zikri; Bleda, Erdi; Trindle, Carl
2017-09-01
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.
Countermanding eye-head gaze shifts in humans: marching orders are delivered to the head first.
Corneil, Brian D; Elsley, James K
2005-07-01
The countermanding task requires subjects to cancel a planned movement on appearance of a stop signal, providing insights into response generation and suppression. Here, we studied human eye-head gaze shifts in a countermanding task with targets located beyond the horizontal oculomotor range. Consistent with head-restrained saccadic countermanding studies, the proportion of gaze shifts on stop trials increased the longer the stop signal was delayed after target presentation, and gaze shift stop-signal reaction times (SSRTs: a derived statistic measuring how long it takes to cancel a movement) averaged approximately 120 ms across seven subjects. We also observed a marked proportion of trials (13% of all stop trials) during which gaze remained stable but the head moved toward the target. Such head movements were more common at intermediate stop signal delays. We never observed the converse sequence wherein gaze moved while the head remained stable. SSRTs for head movements averaged approximately 190 ms or approximately 70-75 ms longer than gaze SSRTs. Although our findings are inconsistent with a single race to threshold as proposed for controlling saccadic eye movements, movement parameters on stop trials attested to interactions consistent with a race model architecture. To explain our data, we tested two extensions to the saccadic race model. The first assumed that gaze shifts and head movements are controlled by parallel but independent races. The second model assumed that gaze shifts and head movements are controlled by a single race, preceded by terminal ballistic intervals not under inhibitory control, and that the head-movement branch is activated at a lower threshold. Although simulations of both models produced acceptable fits to the empirical data, we favor the second alternative as it is more parsimonious with recent findings in the oculomotor system. Using the second model, estimates for gaze and head ballistic intervals were approximately 25 and 90 ms, respectively, consistent with the known physiology of the final motor paths. Further, the threshold of the head movement branch was estimated to be 85% of that required to activate gaze shifts. From these results, we conclude that a commitment to a head movement is made in advance of gaze shifts and that the comparative SSRT differences result primarily from biomechanical differences inherent to eye and head motion.
A voxel-based finite element model for the prediction of bladder deformation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chai Xiangfei; Herk, Marcel van; Hulshof, Maarten C. C. M.
2012-01-15
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
Weak ferromagnetism along the third-order axis of the FeBO3 crystals caused by Fe2+ impurity ions
NASA Astrophysics Data System (ADS)
Ovchinnikov, S. G.; Rudenko, V. V.; Vorotynov, A. M.
2018-05-01
Using the single-ion approximation, the weak ferromagnetic moment σZ(Fe2+) along the third-order axis of FeBO3 crystals, which is caused by the contribution of Fe2+ ions, has been investigated in the framework of the model Fe2+ impurity ion -BO3 vacancy. The extreme low-temperature behavior of the total magnetic moment due to the strong dependence of the Fe2+ion contribution is predicted.
Sherman, David M.
1986-01-01
A molecular orbital description, based on spin-unrestricted X??-scattered wave calculations, is given for the electronic structures of mixed valence iron oxides and silicates. The cluster calculations show that electron hopping and optical intervalence charge-transger result from weak FeFe bonding across shared edges of FeO6 coordination polyhedra. In agreement with Zener's double exchange model, FeFe bonding is found to stabilize ferromagnetic coupling between Fe2+ and Fe3+ cations. ?? 1986.
NASA Astrophysics Data System (ADS)
Nakanowatari, Takuya; Nakamura, Tomohiro; Uchimoto, Keisuke; Nishioka, Jun; Mitsudera, Humio; Wakatsuchi, Masaaki
2017-05-01
Iron (Fe) is an essential nutrient for marine phytoplankton and it constitutes an important element in the marine carbon cycle in the ocean. This study examined the mechanisms controlling seasonal variation of dissolved Fe (dFe) in the western subarctic North Pacific (WSNP), using an ocean general circulation model coupled with a simple biogeochemical model incorporating a dFe cycle fed by two major sources (atmospheric dust and continental shelf sediment). The model reproduced the seasonal cycle of observed concentrations of dFe and macronutrients at the surface in the Oyashio region with maxima in winter (February-March) and minima in summer (July-September), although the simulated seasonal amplitudes are a half of the observed values. Analysis of the mixed-layer dFe budget indicated that both local vertical entrainment and lateral advection are primary contributors to the wintertime increase in dFe concentration. In early winter, strengthened northwesterly winds excite southward Ekman transport and Ekman upwelling over the western subarctic gyre, transporting dFe-rich water southward. In mid to late winter, the southward western boundary current of the subarctic gyre and the outflow from the Sea of Okhotsk also bring dFe-rich water to the Oyashio region. The contribution of atmospheric dust to the dFe budget is several times smaller than these ocean transport processes in winter. These results suggest that the westerly wind-induced Ekman transport and gyre circulation systematically influence the seasonal cycle of WSNP surface dFe concentration.
Okafor, C Denise; Lanier, Kathryn A; Petrov, Anton S; Athavale, Shreyas S; Bowman, Jessica C; Hud, Nicholas V; Williams, Loren Dean
2017-04-20
Life originated in an anoxic, Fe2+-rich environment. We hypothesize that on early Earth, Fe2+ was a ubiquitous cofactor for nucleic acids, with roles in RNA folding and catalysis as well as in processing of nucleic acids by protein enzymes. In this model, Mg2+ replaced Fe2+ as the primary cofactor for nucleic acids in parallel with known metal substitutions of metalloproteins, driven by the Great Oxidation Event. To test predictions of this model, we assay the ability of nucleic acid processing enzymes, including a DNA polymerase, an RNA polymerase and a DNA ligase, to use Fe2+ in place of Mg2+ as a cofactor during catalysis. Results show that Fe2+ can indeed substitute for Mg2+ in catalytic function of these enzymes. Additionally, we use calculations to unravel differences in energetics, structures and reactivities of relevant Mg2+ and Fe2+ complexes. Computation explains why Fe2+ can be a more potent cofactor than Mg2+ in a variety of folding and catalytic functions. We propose that the rise of O2 on Earth drove a Fe2+ to Mg2+ substitution in proteins and nucleic acids, a hypothesis consistent with a general model in which some modern biochemical systems retain latent abilities to revert to primordial Fe2+-based states when exposed to pre-GOE conditions. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.
NASA Astrophysics Data System (ADS)
Akbar, Nor Azliza; Aziz, Hamidi Abdul; Adlan, Mohd Nordin
2017-10-01
During pumping of groundwater to the surface, the reaction between dissolved iron (Fe2+) and oxygen causes oxidation to ferric iron (Fe3+), thereby increasing the concentration of Fe2+. In this research, the potential application of ozonation with limestone adsorption to remove Fe2+ from groundwater was investigated through batch ozonation and fixed-bed-column studies. Groundwater samples were collected from a University Science Malaysia tube well (initial concentration of Fe2+, Co=1.563 mg/L). The effect of varying ozone dosages (10, 12.5, 15, 17.5, 20, 22.5, and 25 g/Nm3) was analyzed to determine the optimum ozone dosage for treatment. The characteristics of the column data and breakthrough curve were analyzed and predicted using mathematical models, such as Adam Bohart, Thomas, and Yoon-Nelson models. The data fitted well to the Thomas and Yoon-Nelson models, with correlation coefficient r2>0.93, but not to the Adam Bohart (r2=0.47). The total Fe2+ removed was 72% (final concentration of Fe2+, Ct=0.426 mg/L) at the maximum dosage of 25 g/Nm3 through ozonation only. However, the efficiency of Fe2+ removal was increased up to 99.5% (Ct=0.008 mg/L) when the hybrid treatment of ozonation with limestone adsorption was applied in this study. Thus, this integrated treatment was considerably more effective in removing Fe2+ than single ozonation treatment.
Xu, Lingshun; Wu, Zongfang; Jin, Yuekang; Ma, Yunsheng; Huang, Weixin
2013-08-07
We have employed XPS and TDS to study the adsorption and surface reactions of H2O, CO and HCOOH on an FeO(111)/Pt(111) inverse model catalyst. The FeO(111)-Pt(111) interface of the FeO(111)/Pt(111) inverse model catalyst exposes coordination-unsaturated Fe(II) cations (Fe(II)CUS) and the Fe(II)CUS cations are capable of modifying the reactivity of neighbouring Pt sites. Water facilely dissociates on the Fe(II)CUS cations at the FeO(111)-Pt(111) interface to form hydroxyls that react to form both water and H2 upon heating. Hydroxyls on the Fe(II)CUS cations can react with CO(a) on the neighbouring Pt(111) sites to produce CO2 at low temperatures. Hydroxyls act as the co-catalyst in the CO oxidation by hydroxyls to CO2 (PROX reaction), while they act as one of the reactants in the CO oxidation by hydroxyls to CO2 and H2 (WGS reaction), and the recombinative reaction of hydroxyls to produce H2 is the rate-limiting step in the WGS reaction. A comparison of reaction behaviors between the interfacial CO(a) + OH reaction and the formate decomposition reaction suggest that formate is the likely surface intermediate of the CO(a) + OH reaction. These results provide some solid experimental evidence for the associative reaction mechanism of WGS and PROX reactions catalyzed by Pt/oxide catalysts.
Literature review report on atomistic modeling tools for FeCrAl alloys
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Yongfeng; Schwen, Daniel; Martinez, Enrique
2015-12-01
This reports summarizes the literature review results on atomistic tools, particularly interatomic potentials used in molecular dynamics simulations, for FeCrAl ternary alloys. FeCrAl has recently been identified as a possible cladding concept for accident tolerant fuels for its superior corrosion resistance. Along with several other concepts, an initial evaluation and recommendation are desired for FeCrAl before it’s used in realistic fuels. For this purpose, sufficient understanding on the in-reactor behavior of FeCrAl needs to be grained in a relatively short timeframe, and multiscale modeling and simulations have been selected as an efficient measure to supplement experiments and in-reactor testing formore » better understanding on FeCrAl. For the limited knowledge on FeCrAl alloys, the multiscale modeling approach relies on atomistic simulations to obtain the missing material parameters and properties. As a first step, atomistic tools have to be identified and this is the purpose of the present report. It was noticed during the literature survey that no interatomic potentials currently available for FeCrAl. Here, we summarize the interatomic potentials available for FeCr alloys for possible molecular dynamics studies using FeCr as surrogate materials. Other atomistic methods such as lattice kinetic Monte Carlo are also included in this report. A couple of research topics at the atomic scale are suggested based on the literature survey.« less
USDA-ARS?s Scientific Manuscript database
This study aims to understand the enhancing effect of glycosaminoglycans (GAGs), such as chondroitin/dermatan structures, on Fe uptake to Caco-2 cells. High sulfated GAGs were selectively purified from cooked haddock. An in vitro digestion/Caco-2 cell culture model was used to evaluate Fe uptake (ce...
A comprehensive computational model of sound transmission through the porcine lung
Dai, Zoujun; Peng, Ying; Henry, Brian M.; Mansy, Hansen A.; Sandler, Richard H.; Royston, Thomas J.
2014-01-01
A comprehensive computational simulation model of sound transmission through the porcine lung is introduced and experimentally evaluated. This “subject-specific” model utilizes parenchymal and major airway geometry derived from x-ray CT images. The lung parenchyma is modeled as a poroviscoelastic material using Biot theory. A finite element (FE) mesh of the lung that includes airway detail is created and used in comsol FE software to simulate the vibroacoustic response of the lung to sound input at the trachea. The FE simulation model is validated by comparing simulation results to experimental measurements using scanning laser Doppler vibrometry on the surface of an excised, preserved lung. The FE model can also be used to calculate and visualize vibroacoustic pressure and motion inside the lung and its airways caused by the acoustic input. The effect of diffuse lung fibrosis and of a local tumor on the lung acoustic response is simulated and visualized using the FE model. In the future, this type of visualization can be compared and matched with experimentally obtained elastographic images to better quantify regional lung material properties to noninvasively diagnose and stage disease and response to treatment. PMID:25190415
A comprehensive computational model of sound transmission through the porcine lung.
Dai, Zoujun; Peng, Ying; Henry, Brian M; Mansy, Hansen A; Sandler, Richard H; Royston, Thomas J
2014-09-01
A comprehensive computational simulation model of sound transmission through the porcine lung is introduced and experimentally evaluated. This "subject-specific" model utilizes parenchymal and major airway geometry derived from x-ray CT images. The lung parenchyma is modeled as a poroviscoelastic material using Biot theory. A finite element (FE) mesh of the lung that includes airway detail is created and used in comsol FE software to simulate the vibroacoustic response of the lung to sound input at the trachea. The FE simulation model is validated by comparing simulation results to experimental measurements using scanning laser Doppler vibrometry on the surface of an excised, preserved lung. The FE model can also be used to calculate and visualize vibroacoustic pressure and motion inside the lung and its airways caused by the acoustic input. The effect of diffuse lung fibrosis and of a local tumor on the lung acoustic response is simulated and visualized using the FE model. In the future, this type of visualization can be compared and matched with experimentally obtained elastographic images to better quantify regional lung material properties to noninvasively diagnose and stage disease and response to treatment.
Are patient specific meshes required for EIT head imaging?
Jehl, Markus; Aristovich, Kirill; Faulkner, Mayo; Holder, David
2016-06-01
Head imaging with electrical impedance tomography (EIT) is usually done with time-differential measurements, to reduce time-invariant modelling errors. Previous research suggested that more accurate head models improved image quality, but no thorough analysis has been done on the required accuracy. We propose a novel pipeline for creation of precise head meshes from magnetic resonance imaging and computed tomography scans, which was applied to four different heads. Voltages were simulated on all four heads for perturbations of different magnitude, haemorrhage and ischaemia, in five different positions and for three levels of instrumentation noise. Statistical analysis showed that reconstructions on the correct mesh were on average 25% better than on the other meshes. However, the stroke detection rates were not improved. We conclude that a generic head mesh is sufficient for monitoring patients for secondary strokes following head trauma.
Mössbauer Study and Modeling of Iron Import and Trafficking in Human Jurkat Cells
Jhurry, Nema D.; Chakrabarti, Mrinmoy; McCormick, Sean P.; Gohil, Vishal M.; Lindahl, Paul A.
2014-01-01
The Fe content of Jurkat cells grown on transferrin-bound iron (TBI) and FeIII citrate (FC) was characterized using Mössbauer, EPR, and UV-vis spectroscopies, electron microscopy, and ICP-MS. Isolated mitochondria were similarly characterized. Fe-limited cells contained ∼ 100 μM of essential Fe, mainly as mitochondrial Fe and non-mitochondrial nonheme high-spin (NHHS) FeII. Fe-replete cells also contained ferritin-bound Fe and FeIII oxyhydroxide nanoparticles. Only 400 ± 100 Fe ions were loaded per ferritin complex, regardless of the growth medium Fe concentration. Ferritin regulation thus appears more complex than is commonly assumed. The magnetic/structural properties of Jurkat nanoparticles differed from those in yeast mitochondria. They were smaller and may be located in the cytosol. The extent of nanoparticle formation scaled nonlinearly with the concentration of Fe in the medium. Nanoparticle formation was not strongly correlated with ROS damage. Cells could utilize nanoparticle Fe, converting such aggregates into essential Fe forms. Cells grown on galactose rather than glucose respired faster, grew slower, exhibited more ROS damage and generally contained more nanoparticles. Cells grown with TBI rather than FC contained lower Fe concentrations, more ferritin and fewer nanoparticles. Cells in which transferrin receptor expression was increased contained more ferritin Fe. Frataxin-deficient cells contained more nanoparticles than comparable WT cells. Data were analyzed by a chemically-based mathematical model. Although simple, it captured essential features of Fe import, trafficking and regulation. TBI import was highly regulated but FC import was not. Nanoparticle formation was not regulated but the rate was third-order in cytosolic Fe. PMID:24180611
Experimental determination of activities in FeTiO3-MnTiO3 ilmenite solid solution by redox reversals
NASA Astrophysics Data System (ADS)
Feenstra, A.; Peters, Tjerk
1996-12-01
Solid solutions of (Fe,Mn)TiO3 were synthesized, mostly at 0.10 XMn intervals, at 1 bar, 900°C and log f O 2 = 17.50. Analysis by EMP indicate an ideal stoichiometry for the Fe-Mn ilmenites with (Fe+Mn) = Ti = 1.000 when normalized to 3 oxygens. Their unit cell volume increases linearly with XMn. The composition of Fe-Mn ilmenite coexisting with metallic Fe and rutile was reversed at 1 bar, 700 900°C and fixed f O 2 in a gas-mixing furnace. Oxygen fugacity was controlled by mixing CO2 and H2 gas and was continuously monitored with an yttrium-stabilized zirconia electrolyte. Solution properties of Fe-Mn ilmenite were derived from the experimental data by mathematical programming (Engi and Feenstra, in preparation) including notably the results of Fe-Mn exchange experiments between ilmenite and garnet (Feenstra and Engi, submitted) and anchoring the standard state properties to the updated thermodynamic dataset of Berman and Aranovich (1996). The thermodynamic analysis resulted in positive deviations from ideality for (Fe,Mn)TiO3 ilmenite, which is well described by an asymmetric Margules model with WH FeFeMn = 9.703 and WH FeMnMn = 23.234 kJ/mol, WS FeFeMn = 19.65 and WS FeMnMn = 22.06 J/(K·mol). The excess free energy for Fe-Mn ilmenite derived from the redox reversals is larger than in the symmetric ilmenite model (WG FeMn = +2.2 kJ/mol) determined by O'Neill et al. from emf measurements on the assemblage iron-rutile-(Fe,Mn)ilmenite.
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.
2014-01-01
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
Model for the formation of the earth's core
DOE Office of Scientific and Technical Information (OSTI.GOV)
McCammon, C.A.; Ringwood, A.E.; Jackson, I.
1983-02-15
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
NASA Astrophysics Data System (ADS)
Fauzi, A. D.; Majidi, M. A.; Rusydi, A.
2017-04-01
We propose a simple tight-binding based model for Fe3O4 that captures the preference of ferrimagnetic over ferromagnetic spin configuration of the system. Our model is consistent with previous theoretical and experimental studies suggesting that the system is half metallic, in which spin polarized electrons hop only among the Fe B sites. To address the metal-insulator transition (MIT) we propose that the strong correlation among electrons, which may also be influenced by the electron-phonon interactions, manifest as the temperature-dependence of the O-p-Fe-d hybridization parameter, particularly Fe-d belonging to one of the Fe B sites (denoted as {t}{{FeB}-{{O}}}(2)). By proposing that this parameter increases as the temperature decreases, our density-of-states calculation successfully captures a gap opening at the Fermi level, transforming the system from half metal to insulator. Within this model along with the corresponding choice of parameters and a certain profile of the temperature dependence of {t}{{FeB}-{{O}}}(2), we calculate the resistivity of the system as a function of temperature. Our calculation result reveals the drastic uprising trend of the resistivity profile as the temperature decreases, with the MIT transition temperature located around 100 K, which is in agreement with experimental data.
Multiple sparse volumetric priors for distributed EEG source reconstruction.
Strobbe, Gregor; van Mierlo, Pieter; De Vos, Maarten; Mijović, Bogdan; Hallez, Hans; Van Huffel, Sabine; López, José David; Vandenberghe, Stefaan
2014-10-15
We revisit the multiple sparse priors (MSP) algorithm implemented in the statistical parametric mapping software (SPM) for distributed EEG source reconstruction (Friston et al., 2008). In the present implementation, multiple cortical patches are introduced as source priors based on a dipole source space restricted to a cortical surface mesh. In this note, we present a technique to construct volumetric cortical regions to introduce as source priors by restricting the dipole source space to a segmented gray matter layer and using a region growing approach. This extension allows to reconstruct brain structures besides the cortical surface and facilitates the use of more realistic volumetric head models including more layers, such as cerebrospinal fluid (CSF), compared to the standard 3-layered scalp-skull-brain head models. We illustrated the technique with ERP data and anatomical MR images in 12 subjects. Based on the segmented gray matter for each of the subjects, cortical regions were created and introduced as source priors for MSP-inversion assuming two types of head models. The standard 3-layered scalp-skull-brain head models and extended 4-layered head models including CSF. We compared these models with the current implementation by assessing the free energy corresponding with each of the reconstructions using Bayesian model selection for group studies. Strong evidence was found in favor of the volumetric MSP approach compared to the MSP approach based on cortical patches for both types of head models. Overall, the strongest evidence was found in favor of the volumetric MSP reconstructions based on the extended head models including CSF. These results were verified by comparing the reconstructed activity. The use of volumetric cortical regions as source priors is a useful complement to the present implementation as it allows to introduce more complex head models and volumetric source priors in future studies. Copyright © 2014 Elsevier Inc. All rights reserved.
NASA Astrophysics Data System (ADS)
Shah, Chintan; Amaro, Pedro; Steinbrügge, René; Bernitt, Sven; Crespo López-Urrutia, José R.; Tashenov, Stanislav
2018-02-01
We present a systematic measurement of the X-ray emission asymmetries in the K-shell dielectronic, trielectronic, and quadruelectronic recombination of free electrons into highly charged ions. Iron ions in He-like through O-like charge states were produced in an electron beam ion trap, and the electron–ion collision energy was scanned over the recombination resonances. Two identical X-ray detectors mounted head-on and side-on with respect to the electron beam propagation recorded X-rays emitted in the decay of resonantly populated states. The degrees of linear polarization of X-rays inferred from observed emission asymmetries benchmark distorted-wave predictions of the Flexible Atomic Code for several dielectronic recombination satellite lines. The present method also demonstrates its applicability for diagnostics of energy and direction of electron beams inside hot anisotropic plasmas. Both experimental and theoretical data can be used for modeling of hot astrophysical and fusion plasmas.
Molybdenum L-Edge XAS Spectra of MoFe Nitrogenase
Bjornsson, Ragnar; Delgado-Jaime, Mario U; Lima, Frederico A; Sippel, Daniel; Schlesier, Julia; Weyhermüller, Thomas; Einsle, Oliver; Neese, Frank; DeBeer, Serena
2015-01-01
A molybdenum L-edge X-ray absorption spectroscopy (XAS) study is presented for native and oxidized MoFe protein of nitrogenase as well as Mo-Fe model compounds. Recently collected data on MoFe protein (in oxidized and reduced forms) is compared to previously published Mo XAS data on the isolated FeMo cofactor in NMF solution and put in context of the recent Mo K-edge XAS study, which showed a MoIII assignment for the molybdenum atom in FeMoco. The L3-edge data are interpreted within a simple ligand-field model, from which a time-dependent density functional theory (TDDFT) approach is proposed as a way to provide further insights into the analysis of the molybdenum L3-edges. The calculated results reproduce well the relative spectral trends that are observed experimentally. Ultimately, these results give further support for the MoIII assignment in protein-bound FeMoco, as well as isolated FeMoco. PMID:26213424
Whitnall, Megan; Rahmanto, Yohan Suryo; Sutak, Robert; Xu, Xiangcong; Becker, Erika M.; Mikhael, Marc R.; Ponka, Prem; Richardson, Des R.
2008-01-01
There is no effective treatment for the cardiomyopathy of the most common autosomal recessive ataxia, Friedreich's ataxia (FA). The identification of potentially toxic mitochondrial (MIT) iron (Fe) deposits in FA suggests that Fe plays a role in its pathogenesis. This study used the muscle creatine kinase conditional frataxin (Fxn) knockout (mutant) mouse model that reproduces the classical traits associated with cardiomyopathy in FA. We examined the mechanisms responsible for the increased cardiac MIT Fe loading in mutants. Moreover, we explored the effect of Fe chelation on the pathogenesis of the cardiomyopathy. Our investigation showed that increased MIT Fe in the myocardium of mutants was due to marked transferrin Fe uptake, which was the result of enhanced transferrin receptor 1 expression. In contrast to the mitochondrion, cytosolic ferritin expression and the proportion of cytosolic Fe were decreased in mutant mice, indicating cytosolic Fe deprivation and markedly increased MIT Fe targeting. These studies demonstrated that loss of Fxn alters cardiac Fe metabolism due to pronounced changes in Fe trafficking away from the cytosol to the mitochondrion. Further work showed that combining the MIT-permeable ligand pyridoxal isonicotinoyl hydrazone with the hydrophilic chelator desferrioxamine prevented cardiac Fe loading and limited cardiac hypertrophy in mutants but did not lead to overt cardiac Fe depletion or toxicity. Fe chelation did not prevent decreased succinate dehydrogenase expression in the mutants or loss of cardiac function. In summary, we show that loss of Fxn markedly alters cellular Fe trafficking and that Fe chelation limits myocardial hypertrophy in the mutant. PMID:18621680
NASA Astrophysics Data System (ADS)
Le, Giang H.; Ha, Anh Q.; Nguyen, Quang K.; Nguyen, Kien T.; Dang, Phuong T.; Tran, Hoa T. K.; Vu, Loi D.; Nguyen, Tuyen V.; Lee, Gun D.; Vu, Tuan A.
2016-10-01
The nano Fe-Fe3O4/graphene oxide (GO) was successfully synthesized by the precipitation method and followed by chemical reduction using FeCl3 as iron sources and NaBH4 as reducing agent. The products were characterized by x-ray diffraction (XRD), Fourier transform infrared spectroscopy, transmission electron microscopy (TEM), BET, x-ray photoelectron spectroscopy (XPS) and VMS. From the obtained XRD and XPS results, it revealed the formation of both Fe and Fe3O4 nano particles on GO surface. TEM images showed that both Fe3O4/GO and Fe-Fe3O4/GO had small particle size of 10-20 nm and uniform size distribution. Fe3O4/GO and Fe-Fe3O4/GO were used as adsorbents for removal of Cd2+ and Cu2+ ions from aqueous solution. Maximum adsorption capacity (Q max) of Fe-Fe3O4/GO for Cu2+ and Cd2+ are 90.0 mg g-1 and 108.6 mg g-1, respectively. These values are much higher as compared to those of Fe3O4/GO as well as those reported in the literature. Additionally, this novel adsorbent can be reused by washing with diluted Hcl solution and easily recovered by applying the magnetic field. The Cd2+ adsorption isotherm fits better for the Langmuir model that of the Freundlich model and it obeys the pseudo-second order kinetic equation.
Hadi, Jebril; Tournassat, Christophe; Ignatiadis, Ioannis; Greneche, Jean Marc; Charlet, Laurent
2013-10-01
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.
Fagan, Johannes J; Zafereo, Mark; Aswani, Joyce; Netterville, James L; Koch, Wayne
2017-03-01
Cancer poses a health crisis in the developing world where surgery is the mainstay of treatment for head and neck cancers. However, a shortage of surgeons with appropriate skills exists. How do we train head and neck surgeons in developing countries and avoid a brain drain? The ideal model provides appropriate affordable training leading to establishment of head and neck cancer centers that teach and train others. Different head and neck surgery training models are presented based on the personal experiences of the authors. Surgical exposure of head and neck fellows in Cape Town and (potentially) in Nairobi is benchmarked against programs in the United States. Surgical exposure in Cape Town is equivalent to that in the United States, but more appropriate to a developing world setting. Training can be achieved in a number of ways, which may be complimentary. Fellowship training is possible in developing countries. © 2016 Wiley Periodicals, Inc. Head Neck 39: 605-611, 2017. © 2016 Wiley Periodicals, Inc.
Heading-vector navigation based on head-direction cells and path integration.
Kubie, John L; Fenton, André A
2009-05-01
Insect navigation is guided by heading vectors that are computed by path integration. Mammalian navigation models, on the other hand, are typically based on map-like place representations provided by hippocampal place cells. Such models compute optimal routes as a continuous series of locations that connect the current location to a goal. We propose a "heading-vector" model in which head-direction cells or their derivatives serve both as key elements in constructing the optimal route and as the straight-line guidance during route execution. The model is based on a memory structure termed the "shortcut matrix," which is constructed during the initial exploration of an environment when a set of shortcut vectors between sequential pairs of visited waypoint locations is stored. A mechanism is proposed for calculating and storing these vectors that relies on a hypothesized cell type termed an "accumulating head-direction cell." Following exploration, shortcut vectors connecting all pairs of waypoint locations are computed by vector arithmetic and stored in the shortcut matrix. On re-entry, when local view or place representations query the shortcut matrix with a current waypoint and goal, a shortcut trajectory is retrieved. Since the trajectory direction is in head-direction compass coordinates, navigation is accomplished by tracking the firing of head-direction cells that are tuned to the heading angle. Section 1 of the manuscript describes the properties of accumulating head-direction cells. It then shows how accumulating head-direction cells can store local vectors and perform vector arithmetic to perform path-integration-based homing. Section 2 describes the construction and use of the shortcut matrix for computing direct paths between any pair of locations that have been registered in the shortcut matrix. In the discussion, we analyze the advantages of heading-based navigation over map-based navigation. Finally, we survey behavioral evidence that nonhippocampal, heading-based navigation is used in small mammals and humans. Copyright 2008 Wiley-Liss, Inc.
Levels of detail analysis of microwave scattering from human head models for brain stroke detection
2017-01-01
In this paper, we have presented a microwave scattering analysis from multiple human head models. This study incorporates different levels of detail in the human head models and its effect on microwave scattering phenomenon. Two levels of detail are taken into account; (i) Simplified ellipse shaped head model (ii) Anatomically realistic head model, implemented using 2-D geometry. In addition, heterogenic and frequency-dispersive behavior of the brain tissues has also been incorporated in our head models. It is identified during this study that the microwave scattering phenomenon changes significantly once the complexity of head model is increased by incorporating more details using magnetic resonance imaging database. It is also found out that the microwave scattering results match in both types of head model (i.e., geometrically simple and anatomically realistic), once the measurements are made in the structurally simplified regions. However, the results diverge considerably in the complex areas of brain due to the arbitrary shape interface of tissue layers in the anatomically realistic head model. After incorporating various levels of detail, the solution of subject microwave scattering problem and the measurement of transmitted and backscattered signals were obtained using finite element method. Mesh convergence analysis was also performed to achieve error free results with a minimum number of mesh elements and a lesser degree of freedom in the fast computational time. The results were promising and the E-Field values converged for both simple and complex geometrical models. However, the E-Field difference between both types of head model at the same reference point differentiated a lot in terms of magnitude. At complex location, a high difference value of 0.04236 V/m was measured compared to the simple location, where it turned out to be 0.00197 V/m. This study also contributes to provide a comparison analysis between the direct and iterative solvers so as to find out the solution of subject microwave scattering problem in a minimum computational time along with memory resources requirement. It is seen from this study that the microwave imaging may effectively be utilized for the detection, localization and differentiation of different types of brain stroke. The simulation results verified that the microwave imaging can be efficiently exploited to study the significant contrast between electric field values of the normal and abnormal brain tissues for the investigation of brain anomalies. In the end, a specific absorption rate analysis was carried out to compare the ionizing effects of microwave signals to different types of head model using a factor of safety for brain tissues. It is also suggested after careful study of various inversion methods in practice for microwave head imaging, that the contrast source inversion method may be more suitable and computationally efficient for such problems. PMID:29177115
Micromagnetic finite element simulation of nanocrystalline α-Fe/Nd2Fe14B/Fe3B magnets
NASA Astrophysics Data System (ADS)
Saiden, N. M.; Schrefl, T.; Davies, H. A.; Hrkac, G.
2014-09-01
Nanocomposite Nd2Fe14B permanent magnets with Fe3B and α-Fe as the soft phase have been simulated using micromagnetic modelling. This paper reviews extensively the results from the simulation point of view. The magnetization configuration along the hysteresis loop is discussed in details. It was clear that the grain size and phase distribution play important roles in determining the magnetic properties. By changing the size of the grain and the volume fraction of the hard and soft phase, the magnetic properties change and the relationship between microstructure and properties is investigated. The remanence, Jr increases with decreasing of grain size, but oppositely for coercivity, Hc. The highest Jr, 1.46 T was obtained with a grain size 10 nm, and volume fraction of α-Fe, 40%. Whereas, the highest Hc with combination Nd2Fe14B 80% and 20% Fe3B, 947 kA/m. On the other hand, if Nd2Fe14B alone, the Hc able to reach up to 1000 kA/m. From this study, micromagnetic modelling contributes to a better understanding how microstructure and phase distribution influences the magnetic properties.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bray, Jacob; Hensley, Alyssa J. R.; Collinge, Greg
The impact of an external electric field on the concerted behavior of oxygen over a multi-faceted catalytic Fe grain is determined via the interpolation of ab initio models of oxygen adsorption on Fe(100), Fe(110), and Fe(111) in the presence of an external electric field. The application of both negative and positive electric fields weaken the adsorption strength for oxygen on all three surface facets, with Fe(110) experiencing the greatest effect. Kinetic models of a multi-faceted catalytic Fe grain show that the average oxygen coverage over the grain surface is reduced under the influence of both a negative and positive electricmore » field, which are consistent with phase diagram results at comparable pressures. Furthermore, we show that there is a weak synergistic effect between a Pd promoter and a positive electric field on the oxygen adsorption energy, i.e. the Pd promoter and electric field combination weaken the oxygen adsorption energy to a greater degree than the simple addition of both components separately. In conclusion, the work shows that the application of an applied external electric field may be a useful tool in fine-tuning chemical properties of Fe-based catalysts in hydrodeoxygenation applications.« less
Bray, Jacob; Hensley, Alyssa J. R.; Collinge, Greg; ...
2018-04-15
The impact of an external electric field on the concerted behavior of oxygen over a multi-faceted catalytic Fe grain is determined via the interpolation of ab initio models of oxygen adsorption on Fe(100), Fe(110), and Fe(111) in the presence of an external electric field. The application of both negative and positive electric fields weaken the adsorption strength for oxygen on all three surface facets, with Fe(110) experiencing the greatest effect. Kinetic models of a multi-faceted catalytic Fe grain show that the average oxygen coverage over the grain surface is reduced under the influence of both a negative and positive electricmore » field, which are consistent with phase diagram results at comparable pressures. Furthermore, we show that there is a weak synergistic effect between a Pd promoter and a positive electric field on the oxygen adsorption energy, i.e. the Pd promoter and electric field combination weaken the oxygen adsorption energy to a greater degree than the simple addition of both components separately. In conclusion, the work shows that the application of an applied external electric field may be a useful tool in fine-tuning chemical properties of Fe-based catalysts in hydrodeoxygenation applications.« less
Metal-rich, Metal-poor: Updated Stellar Population Models for Old Stellar Systems
NASA Astrophysics Data System (ADS)
Conroy, Charlie; Villaume, Alexa; van Dokkum, Pieter G.; Lind, Karin
2018-02-01
We present updated stellar population models appropriate for old ages (>1 Gyr) and covering a wide range in metallicities (‑1.5 ≲ [Fe/H] ≲ 0.3). These models predict the full spectral variation associated with individual element abundance variation as a function of metallicity and age. The models span the optical–NIR wavelength range (0.37–2.4 μm), include a range of initial mass functions, and contain the flexibility to vary 18 individual elements including C, N, O, Mg, Si, Ca, Ti, and Fe. To test the fidelity of the models, we fit them to integrated light optical spectra of 41 Galactic globular clusters (GCs). The value of testing models against GCs is that their ages, metallicities, and detailed abundance patterns have been derived from the Hertzsprung–Russell diagram in combination with high-resolution spectroscopy of individual stars. We determine stellar population parameters from fits to all wavelengths simultaneously (“full spectrum fitting”), and demonstrate explicitly with mock tests that this approach produces smaller uncertainties at fixed signal-to-noise ratio than fitting a standard set of 14 line indices. Comparison of our integrated-light results to literature values reveals good agreement in metallicity, [Fe/H]. When restricting to GCs without prominent blue horizontal branch populations, we also find good agreement with literature values for ages, [Mg/Fe], [Si/Fe], and [Ti/Fe].
Performance Evaluation and Improvement of Ferroelectric Field-Effect Transistor Memory
NASA Astrophysics Data System (ADS)
Yu, Hyung Suk
Flash memory is reaching scaling limitations rapidly due to reduction of charge in floating gates, charge leakage and capacitive coupling between cells which cause threshold voltage fluctuations, short retention times, and interference. Many new memory technologies are being considered as alternatives to flash memory in an effort to overcome these limitations. Ferroelectric Field-Effect Transistor (FeFET) is one of the main emerging candidates because of its structural similarity to conventional FETs and fast switching speed. Nevertheless, the performance of FeFETs have not been systematically compared and analyzed against other competing technologies. In this work, we first benchmark the intrinsic performance of FeFETs and other memories by simulations in order to identify the strengths and weaknesses of FeFETs. To simulate realistic memory applications, we compare memories on an array structure. For the comparisons, we construct an accurate delay model and verify it by benchmarking against exact HSPICE simulations. Second, we propose an accurate model for FeFET memory window since the existing model has limitations. The existing model assumes symmetric operation voltages but it is not valid for the practical asymmetric operation voltages. In this modeling, we consider practical operation voltages and device dimensions. Also, we investigate realistic changes of memory window over time and retention time of FeFETs. Last, to improve memory window and subthreshold swing, we suggest nonplanar junctionless structures for FeFETs. Using the suggested structures, we study the dimensional dependences of crucial parameters like memory window and subthreshold swing and also analyze key interference mechanisms.
Effects of ferrous carbamoyl glycine on iron state and absorption in an iron-deficient rat model.
Zhang, Yuzhe; Sun, Xiaoming; Xie, Chunyan; Shu, Xugang; Oso, Abimbola Oladele; Ruan, Zheng; Deng, Ze-Yuan; Wu, Xin; Yin, Yulong
2015-11-01
An iron-deficient rat model was established and used to determine the effects of different iron sources on iron metabolism and absorption. Iron-deficient rats were assigned to one of three treatment groups, and their diet was supplemented with deionized water (control), Fe-CGly, or FeSO4 for 8 days via intragastric administration. Blood samples were obtained for analysis of iron-related properties, and the small intestine and liver were removed for quantitative reverse transcription PCR of genes related to iron metabolism. The serum total iron-binding capacity (TIBC) levels of rats in Fe-CGly and FeSO4 supplementation groups was lower (P < 0.05) than that of the rats in the control group. The rats in Fe-CGly group exhibited higher (P < 0.05) plasma Fe and ferritin levels and lower (P < 0.05) TIBC levels compared with the rats in FeSO4 groups. The relative expression of liver hepcidin increased (P < 0.05) by tenfold and 80-fold in the Fe-CGly and FeSO4 groups, respectively, whereas divalent metal transporter 1, duodenal cytochrome b, and ferroportin 1 expression decreased (P < 0.05) in the duodenum in both Fe-CGly and FeSO4 group. A comparison between Fe-CGly and FeSO4 group showed that iron regulatory protein 1 (IRP1) and iron regulatory protein (IRP2) expressions were reduced (P < 0.05) in rats administered FeSO4 than in rats administered with Fe-Cgly. These results indicate that Fe-CGly rapidly improves the blood iron status and that IRP1 and IRP2 may play an important role in the intestinal absorption of Fe-CGly.
Diffo Kaze, Arnaud; Maas, Stefan; Arnoux, Pierre-Jean; Wolf, Claude; Pape, Dietrich
2017-12-07
Results of finite element (FE) analyses can give insight into musculoskeletal diseases if physiological boundary conditions, which include the muscle forces during specific activities of daily life, are considered in the FE modelling. So far, many simplifications of the boundary conditions are currently made. This study presents an approach for FE modelling of the lower limb for which muscle forces were included. The stance phase of normal gait was simulated. Muscle forces were calculated using a musculoskeletal rigid body (RB) model of the human body, and were subsequently applied to a FE model of the lower limb. It was shown that the inertial forces are negligible during the stance phase of normal gait. The contact surfaces between the parts within the knee were modelled as bonded. Weak springs were attached to the distal tibia for numerical reasons. Hip joint reaction forces from the RB model and those from the FE model were similar in magnitude with relative differences less than 16%. The forces of the weak spring were negligible compared to the applied muscle forces. The maximal strain was 0.23% in the proximal region of the femoral diaphysis and 1.7% in the contact zone between the tibia and the fibula. The presented approach based on FE modelling by including muscle forces from inverse dynamic analysis of musculoskeletal RB model can be used to perform analyses of the lower limb with very realistic boundary conditions. In the present form, this model can be used to better understand the loading, stresses and strains of bones in the knee area and hence to analyse osteotomy fixation devices.
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.
Ohki, Yasuhiro; Yasumura, Kazunari; Ando, Masaru; Shimokata, Satoko; Tatsumi, Kazuyuki
2010-01-01
A [NiFe] hydrogenase model compound having a distorted trigonal-pyramidal nickel center, (CO)3Fe(μ-StBu)3Ni(SDmp), 1 (Dmp = C6H3-2,6-(mesityl)2), was synthesized from the reaction of the tetranuclear Fe-Ni-Ni-Fe complex [(CO)3Fe(μ-StBu)3Ni]2(μ-Br)2, 2 with NaSDmp at -40 °C. The nickel site of complex 1 was found to add CO or CNtBu at -40 °C to give (CO)3Fe(StBu)(μ-StBu)2Ni(CO)(SDmp), 3, or (CO)3Fe(StBu)(μ-StBu)2Ni(CNtBu)(SDmp), 4, respectively. One of the CO bands of 3, appearing at 2055 cm-1 in the infrared spectrum, was assigned as the Ni-CO band, and this frequency is comparable to those observed for the CO-inhibited forms of [NiFe] hydrogenase. Like the CO-inhibited forms of [NiFe] hydrogenase, the coordination of CO at the nickel site of 1 is reversible, while the CNtBu adduct 4 is more robust. PMID:20147622
Incorporating ligament laxity in a finite element model for the upper cervical spine.
Lasswell, Timothy L; Cronin, Duane S; Medley, John B; Rasoulinejad, Parham
2017-11-01
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.
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.
Breakdown of single spin-fluid model in the heavily hole-doped superconductor CsFe2As2
NASA Astrophysics Data System (ADS)
Zhao, D.; Li, S. J.; Wang, N. Z.; Li, J.; Song, D. W.; Zheng, L. X.; Nie, L. P.; Luo, X. G.; Wu, T.; Chen, X. H.
2018-01-01
Although Fe-based superconductors are correlated electronic systems with multiorbital, previous nuclear magnetic resonance (NMR) measurement suggests that a single spin-fluid model is sufficient to describe its spin behavior. Here, we first observed the breakdown of single spin-fluid model in a heavily hole-doped Fe-based superconductor CsFe2As2 by site-selective NMR measurement. At high-temperature regime, both Knight shift and nuclear spin-lattice relaxation at 133Cs and 75As nuclei exhibit distinct temperature-dependent behavior, suggesting the breakdown of the single spin-fluid model in CsFe2As2 . This is ascribed to the coexistence of both localized and itinerant spin degree of freedom at 3 d orbitals, which is consistent with the orbital-selective Mott phase. With decreasing temperature, the single spin-fluid behavior is recovered below T*˜75 K due to a coherent state among 3 d orbitals. The Kondo liquid scenario is proposed to understand the low-temperature coherent state.
Modeling and Simulation Network Data Standards
2011-09-30
COMBATXXI Movement Logger Data Output Dictionary. Field # Geocentric Coordinates (GCC) Heading Geodetic Coordinates (GDC) Heading Universal...B-8 Field # Geocentric Coordinates (GCC) Heading Geodetic Coordinates (GDC) Heading Universal Transverse Mercator (UTM) Heading...FKSM Fort Knox Supplemental Material FM field manual GCC geocentric coordinates GDC geodetic coordinates GIG global information grid
NASA Astrophysics Data System (ADS)
Hilgert, Toralf; Hennig, Heiko
2017-03-01
Groundwater heads were mapped for the entire State of Mecklenburg-Western Pomerania by applying a Detrended Kriging method based on a numerical geohydraulic model. The general groundwater flow system (trend surface) was represented by a two-dimensional horizontal flow model. Thus deviations of observed groundwater heads from simulated groundwater heads are no longer subject to a regional trend and can be interpolated by means of Ordinary Kriging. Subsequently, the groundwater heads were obtained from the sum of the simulated trend surface and interpolated residuals. Furthermore, the described procedure allowed a plausibility check of observed groundwater heads by comparing them to results of the hydraulic model. If significant deviations were seen, the observation wells could be allocated to different aquifers. The final results are two hydraulically established groundwater head distributions - one for the regional main aquifer and one for the upper aquifer which may differ locally from the main aquifer.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chin, Yong Ho; Chao, Alexander Wu; Blaskiewicz, Michael M.
Effects of the chromaticity on head-tail instabilities for broadband impedances are comprehensively studied, using the two particle model, the Vlasov analysis and computer simulations. We show both in the two particle model and the Vlasov analysis with the trapezoidal (semiconstant) wake model that we can derive universal contour plots for the growth factor as a function of the two dimensionless parameters: the wakefield strength, Υ, and the difference of the betatron phase advances between the head and the tail, χ. They reveal how the chromaticity affects strong head-tail instabilities and excites head-tail instabilities. We also apply the LEP (Large Electron-Positronmore » Collider) broadband resonator model to the Vlasov approach and find that the results are in very good agreement with those of the trapezoidal wake model. The theoretical findings are also reinforced by the simulation results. In conclusion, the trapezoidal wake model turns out to be a very useful tool since it significantly simplifies the time domain analysis and provides well-behaved impedance at the same time.« less
Chin, Yong Ho; Chao, Alexander Wu; Blaskiewicz, Michael M.; ...
2017-07-28
Effects of the chromaticity on head-tail instabilities for broadband impedances are comprehensively studied, using the two particle model, the Vlasov analysis and computer simulations. We show both in the two particle model and the Vlasov analysis with the trapezoidal (semiconstant) wake model that we can derive universal contour plots for the growth factor as a function of the two dimensionless parameters: the wakefield strength, Υ, and the difference of the betatron phase advances between the head and the tail, χ. They reveal how the chromaticity affects strong head-tail instabilities and excites head-tail instabilities. We also apply the LEP (Large Electron-Positronmore » Collider) broadband resonator model to the Vlasov approach and find that the results are in very good agreement with those of the trapezoidal wake model. The theoretical findings are also reinforced by the simulation results. In conclusion, the trapezoidal wake model turns out to be a very useful tool since it significantly simplifies the time domain analysis and provides well-behaved impedance at the same time.« less
Manganese containing layer for magnetic recording media
Lambeth, David N.; Lee, Li-Lien; Laughlin, David E.
1999-01-01
The present invention provides for a magnetic recording media incorporating Mn-containing layers between a substrate and a magnetic layer to provide media having increased coercivity and lower noise. The Mn-containing layer can be incorporated in a rotating, translating or stationary recording media to operate in conjunction with magnetic transducing heads for recording and reading of magnetic data, as well as other applications. The magnetic recording medium of the invention preferably includes a Co or Co alloy film magnetic layer, and Mn-containing layer, preferably comprised of VMn, TiMn, MnZn, CrMnMo, CrMnW, CrMnV, and CrMnTi, and most preferably a CrMn alloy, disposed between the substrate and the magnetic layer to promote an epitaxial crystalline structure in the magnetic layer. The medium can further include seed layers, preferably polycrystalline MgO for longitudinal media, underlayers, and intermediate layers. Underlayers and intermediate layers are comprised of materials having either an A2 structure or a B2-ordered crystalline structure disposed between the seed layer and the magnetic layer. Materials having an A2 structure are preferably Cr or Cr alloys, such as CrV, CrMo, CrW and CrTi. Materials having a B2-ordered structure having a lattice constant that is substantially comparable to that of Cr, such as those preferably selected from the group consisting of NiAl, AILCo, FeAl, FeTi, CoFe, CoTi, CoHf, CoZr, NiTi, CuBe, CuZn, A-LMn, AlRe, AgMg, and Al.sub.2 FeMn.sub.2, and is most preferably FeAl or NiAl.
NASA Astrophysics Data System (ADS)
Ying, Ji-Feng; Ji, Rong; Ter Lim, Sze; Tran, Michael N.; Wang, Chen Chen; Ernult, Franck
2016-02-01
The magnetic-tunnel-junction (MTJ) structure is the core of many important devices, such as magnetic recording head and STT-RAM. CoFeB/MgO/CoFeB tri-layer thin-film stack is a widely researched MTJ structure. In this tri-layer, the functional property of the MTJ, i.e. its TMR ratio, is critically dependent on the crystal orientation of the CoFe grains. In order for the desired (1 0 0) out of plane texture to develop in the CoFeB layers, B needs to be engineered to be expelled out of these CoFeB layers, and diffuse or migrate into the adjacent layers. Ta is usually used as a seed layer adjacent to the MTJ structure. In this work, we investigated the important B-migration mechanisms within this MTJ structure through a combined XPS/TOF-SIMS study. Specifically, we tried to elucidate the possible physical/chemical interactions between the B and Ta that could happen with different film stack designs. Previous works have shown that there might be two possible B-migration mechanisms. One mechanism is direct B diffusion into the adjacent Ta layer during annealing. The other B-migration mechanism is through the formation of TaBOx species, in which B could be carried out by the Ta diffusion. In particular, through studying a series of film stacks, we discussed the circumstances under which one of these B-migration mechanisms becomes dominant. Furthermore, we discussed how these B-migration mechanisms facilitated the B expulsion in a common MTJ structure.
Leyden, Emily; Cook, Freeman; Hamilton, Benjamin; Zammit, Benjamin; Barnett, Liz; Lush, Ann Marie; Stone, Dylan; Mosley, Luke
2016-06-01
An extreme hydrological drought in the Lower Lakes of the Murray-Darling Basin (Ramsar listed site) resulted in exposure of large areas of lake bed (25% of pre-drought lake area), containing the reduced iron (Fe) sulfide mineral pyrite. The pyrite oxidised and the resulting acidification (pH<4) posed risks of acid and metals entering shallow groundwater and potentially discharging to the remaining lake water body. Piezometer transects were installed at four locations and monitoring of the groundwater levels and quality was undertaken for six years from 2009 (drought) to 2014 (4years post-reinundation). Acidic (pH3-5) groundwater was recorded at three of the four piezometer locations and included sites close to the lake water. The acidic groundwater (0.5-2m below lake bed) at these sites is likely to have originated from the transport of acid from the upper oxidised sediment layer formed during the drought. High soluble metal (Fe, Al, Mn) levels were also recorded at acidic locations. Acidic shallow groundwater has persisted at many sites for over 4years following reinundation post-drought, and is likely due to slow diffusion and limited sulfate reduction. Increases in dissolved Fe and Mn with decreases in redox potential suggest that reductive dissolution of Fe and Mn hydrous oxides and Fe oxy-hydroxysulfate minerals (e.g. jarosite) occurred post-drought. Groundwater hydraulic head gradients were low, indicating there was limited potential for groundwater to discharge to the lake. The hydraulic gradients at all locations were dynamic with complex relationships along the near-shore environment. The results highlight the long lasting and severe effects on groundwater that can occur following hydrological drought in aquatic environments with sulfidic sediments. Crown Copyright © 2016. Published by Elsevier B.V. All rights reserved.
NASA Astrophysics Data System (ADS)
Leyden, Emily; Cook, Freeman; Hamilton, Benjamin; Zammit, Benjamin; Barnett, Liz; Lush, Ann Marie; Stone, Dylan; Mosley, Luke
2016-06-01
An extreme hydrological drought in the Lower Lakes of the Murray-Darling Basin (Ramsar listed site) resulted in exposure of large areas of lake bed (25% of pre-drought lake area), containing the reduced iron (Fe) sulfide mineral pyrite. The pyrite oxidised and the resulting acidification (pH < 4) posed risks of acid and metals entering shallow groundwater and potentially discharging to the remaining lake water body. Piezometer transects were installed at four locations and monitoring of the groundwater levels and quality was undertaken for six years from 2009 (drought) to 2014 (4 years post-reinundation). Acidic (pH 3-5) groundwater was recorded at three of the four piezometer locations and included sites close to the lake water. The acidic groundwater (0.5-2 m below lake bed) at these sites is likely to have originated from the transport of acid from the upper oxidised sediment layer formed during the drought. High soluble metal (Fe, Al, Mn) levels were also recorded at acidic locations. Acidic shallow groundwater has persisted at many sites for over 4 years following reinundation post-drought, and is likely due to slow diffusion and limited sulfate reduction. Increases in dissolved Fe and Mn with decreases in redox potential suggest that reductive dissolution of Fe and Mn hydrous oxides and Fe oxy-hydroxysulfate minerals (e.g. jarosite) occurred post-drought. Groundwater hydraulic head gradients were low, indicating there was limited potential for groundwater to discharge to the lake. The hydraulic gradients at all locations were dynamic with complex relationships along the near-shore environment. The results highlight the long lasting and severe effects on groundwater that can occur following hydrological drought in aquatic environments with sulfidic sediments.
1977-07-18
dimethylsu lfoxi de-d6) phthalocyanin — atoruthenium (II), Three Highly Selective NMR Shift Reagents ( ~‘ iby j \\ / Clement K. Choy and F•lalcolm E. Kenney...Running head : Phthalocyaninatorut henium( II) Shift Reagents I NTRODUCT ION Previously, work on FePc (Pc = phthalocyanine li gand , C32H16N8) show- ing...RuPc and dimethylsulfoxide -d 6 were re cted together and the product isolated, An nmr spectrum of the product showed only phthalocyanine resorar.ces
Iron overload prevents oxidative damage to rat brain after chlorpromazine administration.
Piloni, Natacha E; Caro, Andres A; Puntarulo, Susana
2018-05-15
The hypothesis tested is that Fe administration leads to a response in rat brain modulating the effects of later oxidative challenges such as chlorpromazine (CPZ) administration. Either a single dose (acute Fe overload) or 6 doses every second day (sub-chronic Fe overload) of 500 or 50 mg Fe-dextran/kg, respectively, were injected intraperitoneally (ip) to rats. A single dose of 10 mg CPZ/kg was injected ip 8 h after Fe treatment. DNA integrity was evaluated by quantitative PCR, lipid radical (LR · ) generation rate by electron paramagnetic resonance (EPR), and catalase (CAT) activity by UV spectrophotometry in isolated brains. The maximum increase in total Fe brain was detected after 6 or 2 h in the acute and sub-chronic Fe overload model, respectively. Mitochondrial and nuclear DNA integrity decreased after acute Fe overload at the time of maximal Fe content; the decrease in DNA integrity was lower after sub-chronic than after acute Fe overload. CPZ administration increased LR · generation rate in control rat brain after 1 and 2 h; however, CPZ administration after acute or sub-chronic Fe overload did not affect LR · generation rate. CPZ treatment did not affect CAT activity after 1-4 h neither in control rats nor in acute Fe-overloaded rats. However, CPZ administration to rats treated sub-chronically with Fe showed increased brain CAT activity after 2 or 4 h, as compared to control values. Fe supplementation prevented brain damage in both acute and sub-chronic models of Fe overload by selectively activating antioxidant pathways.
NASA Astrophysics Data System (ADS)
Selb, Juliette; Ogden, Tyler M.; Dubb, Jay; Fang, Qianqian; Boas, David A.
2013-03-01
Time-domain near-infrared spectroscopy (TD-NIRS) offers the ability to measure the absolute baseline optical properties of a tissue. Specifically, for brain imaging, the robust assessment of cerebral blood volume and oxygenation based on measurement of cerebral hemoglobin concentrations is essential for reliable cross-sectional and longitudinal studies. In adult heads, these baseline measurements are complicated by the presence of thick extra-cerebral tissue (scalp, skull, CSF). A simple semi-infinite homogeneous model of the head has proven to have limited use because of the large errors it introduces in the recovered brain absorption. Analytical solutions for layered media have shown improved performance on Monte-Carlo simulated data and layered phantom experiments, but their validity on real adult head data has never been demonstrated. With the advance of fast Monte Carlo approaches based on GPU computation, numerical methods to solve the radiative transfer equation become viable alternatives to analytical solutions of the diffusion equation. Monte Carlo approaches provide the additional advantage to be adaptable to any geometry, in particular more realistic head models. The goals of the present study were twofold: (1) to implement a fast and flexible Monte Carlo-based fitting routine to retrieve the brain optical properties; (2) to characterize the performances of this fitting method on realistic adult head data. We generated time-resolved data at various locations over the head, and fitted them with different models of light propagation: the homogeneous analytical model, and Monte Carlo simulations for three head models: a two-layer slab, the true subject's anatomy, and that of a generic atlas head. We found that the homogeneous model introduced a median 20 to 25% error on the recovered brain absorption, with large variations over the range of true optical properties. The two-layer slab model only improved moderately the results over the homogeneous one. On the other hand, using a generic atlas head registered to the subject's head surface decreased the error by a factor of 2. When the information is available, using the true subject anatomy offers the best performance.
NASA Astrophysics Data System (ADS)
Zhou, Xuan; Huang, Jun; Li, Mingtian; Wang, Bin
2008-12-01
As an effective alternative to the nature enzyme, metallophthalocyanine (MPc), having the advantages of easy accessibility, good stability and low cost, are used as catalyzer for the adrenaline (AD) oxidation. In this paper, the oxidation of AD by dioxygen using iron(II) phthalocyanine (FePc) as the catalyst was studied by electronic absorption spectra. The experimental results indicate that the oxidation product of AD catalyzed by FePc is adrenochrome with characteristic peaks at 298 nm and 267 nm. The catalytic activities of FePc are evaluated by the ratios of the absorbance at 298 nm of adrenochrome. The optimal concentration, pH and temperature for the oxidation of AD are 5.0×10-5 M, 8.0 and 55 oC, respectively. By using lock-in technology, the fiber optic adrenaline biosensor based on FePc catalysis and fluorescence quenching was fabricated and studied. A linear relationship between φ, the phase delay of the sensor head, and AD concentration was observed in the range of 2.0×10-6 to 9.0×10-6 M and 2.0×10-5 to 9.0×10-5 M. The standard deviation (SD) values are 4.7×10-8 (n = 5) and 5.9×10-7 (n = 5) M, respectively, while the detection limit is 4.0×10-7 M. The biosensor has the response time of about 15 min and the preferred reproducibility and stability.
Evidence for a Late Reducing Event in IAB-Silicate Inclusions
NASA Astrophysics Data System (ADS)
Seckendorff, V. V.; O'Neill, H. St. C.; Zipfel, J.; Palme, H.
1992-07-01
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).
DOE Office of Scientific and Technical Information (OSTI.GOV)
Field, Kevin G.; Briggs, Samuel A.; Sridharan, Kumar
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
DOE Office of Scientific and Technical Information (OSTI.GOV)
Emül, Y.; Department of Software Engineering, Cumhuriyet University, 58140 Sivas; Erbahar, D.
2015-08-14
Analyses of the local crystal and electronic structure in the vicinity of Fe{sup 3+} centers in perovskite KMgF{sub 3} crystal have been carried out in a comprehensive manner. A combination of density functional theory (DFT) and a semi-empirical superposition model (SPM) is used for a complete analysis of all Fe{sup 3+} centers in this study for the first time. Some quantitative information has been derived from the DFT calculations on both the electronic structure and the local geometry around Fe{sup 3+} centers. All of the trigonal (K-vacancy case, K-Li substitution case, and normal trigonal Fe{sup 3+} center case), FeF{sub 5}Omore » cluster, and tetragonal (Mg-vacancy and Mg-Li substitution cases) centers have been taken into account based on the previously suggested experimental and theoretical inferences. The collaboration between the experimental data and the results of both DFT and SPM calculations provides us to understand most probable structural model for Fe{sup 3+} centers in KMgF{sub 3}.« less
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.
To generate a finite element model of human thorax using the VCH dataset
NASA Astrophysics Data System (ADS)
Shi, Hui; Liu, Qian
2009-10-01
Purpose: To generate a three-dimensional (3D) finite element (FE) model of human thorax which may provide the basis of biomechanics simulation for the study of design effect and mechanism of safety belt when vehicle collision. Methods: Using manually or semi-manually segmented method, the interested area can be segmented from the VCH (Visible Chinese Human) dataset. The 3D surface model of thorax is visualized by using VTK (Visualization Toolkit) and further translated into (Stereo Lithography) STL format, which approximates the geometry of solid model by representing the boundaries with triangular facets. The data in STL format need to be normalized into NURBS surfaces and IGES format using software such as Geomagic Studio to provide archetype for reverse engineering. The 3D FE model was established using Ansys software. Results: The generated 3D FE model was an integrated thorax model which could reproduce human's complicated structure morphology including clavicle, ribs, spine and sternum. It was consisted of 1 044 179 elements in total. Conclusions: Compared with the previous thorax model, this FE model enhanced the authenticity and precision of results analysis obviously, which can provide a sound basis for analysis of human thorax biomechanical research. Furthermore, using the method above, we can also establish 3D FE models of some other organizes and tissues utilizing the VCH dataset.
Epitaxial Fe/Y2O3 interfaces as a model system for oxide-dispersion-strengthened ferritic alloys
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kaspar, Tiffany C.; Bowden, Mark E.; Wang, Chong M.
2015-02-01
The fundamental mechanisms underlying the superior radiation tolerance properties of oxide-dispersion-strengthened ferritic steels and nanostructured ferritic alloys are poorly understood. Thin film heterostructures of Fe/Y2O3 can serve as a model system for fundamental studies of radiation damage. Epitaxial thin films of Y2O3 were deposited by pulsed laser deposition on 8% Y:ZrO2 (YSZ) substrates with (100), (110), and (111) orientation. Metallic Fe was subsequently deposited by molecular beam epitaxy. Characterization by x-ray diffraction and Rutherford backscattering spectrometry in the channeling geometry revealed a degree of epitaxial or axiotaxial ntation for Fe(211) deposited on Y2O3(110)/YSZ(110). In contrast, Fe on Y2O3(111)/YSZ(111) was fullymore » polycrystalline, and Fe on Y2O3(100)/YSZ(100) exhibited out-of-plane texture in the [110] direction with little or no preferential in-plane orientation. Scanning transmission electron microscopy imaging of Fe(211)/Y2O3(110)/YSZ(110) revealed a strongly islanded morphology for the Fe film, with no epitaxial grains visible in the cross-sectional sample. Well-ordered Fe grains with no orientation to the underlying Y2O3 were observed. Well-ordered crystallites of Fe with both epitaxial and non-epitaxial orientations on Y2O3 are a promising model system for fundamental studies of radiation damage phenomena. This is illustrated with preliminary results of He bubble formation following implantation with a helium ion microscope. He bubble formation is shown to preferentially occur at the Fe/Y2O3 interface.« less
Chang, Christopher H.; King, Paul W.; Ghirardi, Maria L.; Kim, Kwiseon
2007-01-01
The [FeFe] hydrogenases HydA1 and HydA2 in the green alga Chlamydomonas reinhardtii catalyze the final reaction in a remarkable metabolic pathway allowing this photosynthetic organism to produce H2 from water in the chloroplast. A [2Fe-2S] ferredoxin is a critical branch point in electron flow from Photosystem I toward a variety of metabolic fates, including proton reduction by hydrogenases. To better understand the binding determinants involved in ferredoxin:hydrogenase interactions, we have modeled Chlamydomonas PetF1 and HydA2 based on amino-acid sequence homology, and produced two promising electron-transfer model complexes by computational docking. To characterize these models, quantitative free energy calculations at atomic resolution were carried out, and detailed analysis of the interprotein interactions undertaken. The protein complex model we propose for ferredoxin:HydA2 interaction is energetically favored over the alternative candidate by 20 kcal/mol. This proposed model of the electron-transfer complex between PetF1 and HydA2 permits a more detailed view of the molecular events leading up to H2 evolution, and suggests potential mutagenic strategies to modulate electron flow to HydA2. PMID:17660315
Chang, Christopher H; King, Paul W; Ghirardi, Maria L; Kim, Kwiseon
2007-11-01
The [FeFe] hydrogenases HydA1 and HydA2 in the green alga Chlamydomonas reinhardtii catalyze the final reaction in a remarkable metabolic pathway allowing this photosynthetic organism to produce H(2) from water in the chloroplast. A [2Fe-2S] ferredoxin is a critical branch point in electron flow from Photosystem I toward a variety of metabolic fates, including proton reduction by hydrogenases. To better understand the binding determinants involved in ferredoxin:hydrogenase interactions, we have modeled Chlamydomonas PetF1 and HydA2 based on amino-acid sequence homology, and produced two promising electron-transfer model complexes by computational docking. To characterize these models, quantitative free energy calculations at atomic resolution were carried out, and detailed analysis of the interprotein interactions undertaken. The protein complex model we propose for ferredoxin:HydA2 interaction is energetically favored over the alternative candidate by 20 kcal/mol. This proposed model of the electron-transfer complex between PetF1 and HydA2 permits a more detailed view of the molecular events leading up to H(2) evolution, and suggests potential mutagenic strategies to modulate electron flow to HydA2.
Orientation relationship of eutectoid FeAl and FeAl2.
Scherf, A; Kauffmann, A; Kauffmann-Weiss, S; Scherer, T; Li, X; Stein, F; Heilmaier, M
2016-04-01
Fe-Al alloys in the aluminium range of 55-65 at.% exhibit a lamellar microstructure of B2-ordered FeAl and triclinic FeAl 2 , which is caused by a eutectoid decomposition of the high-temperature Fe 5 Al 8 phase, the so-called ∊ phase. The orientation relationship of FeAl and FeAl 2 has previously been studied by Bastin et al. [ J. Cryst. Growth (1978 ▸), 43 , 745] and Hirata et al. [ Philos. Mag. Lett. (2008 ▸), 88 , 491]. Since both results are based on different crystallographic data regarding FeAl 2 , the data are re-evaluated with respect to a recent re-determination of the FeAl 2 phase provided by Chumak et al. [ Acta Cryst. (2010 ▸), C 66 , i87]. It is found that both orientation relationships match subsequent to a rotation operation of 180° about a 〈112〉 crystallographic axis of FeAl or by applying the inversion symmetry of the FeAl 2 crystal structure as suggested by the Chumak data set. Experimental evidence for the validity of the previously determined orientation relationships was found in as-cast fully lamellar material (random texture) as well as directionally solidified material (∼〈110〉 FeAl || solidification direction) by means of orientation imaging microscopy and global texture measurements. In addition, a preferential interface between FeAl and FeAl 2 was identified by means of trace analyses using cross sectioning with a focused ion beam. On the basis of these habit planes the orientation relationship between the two phases can be described by ([Formula: see text]01) FeAl || (114)[Formula: see text] and [111] FeAl || [1[Formula: see text]0][Formula: see text]. There is no evidence for twinning within FeAl lamellae or alternating orientations of FeAl lamellae. Based on the determined orientation and interface data, an atomistic model of the structure relationship of Fe 5 Al 8 , FeAl and FeAl 2 in the vicinity of the eutectoid decomposition is derived. This model is analysed with respect to the strain which has to be accommodated at the interface of FeAl and FeAl 2 .
NASA Astrophysics Data System (ADS)
Omar, R.; Rani, M. N. Abdul; Yunus, M. A.; Mirza, W. I. I. Wan Iskandar; Zin, M. S. Mohd
2018-04-01
A simple structure with bolted joints consists of the structural components, bolts and nuts. There are several methods to model the structures with bolted joints, however there is no reliable, efficient and economic modelling methods that can accurately predict its dynamics behaviour. Explained in this paper is an investigation that was conducted to obtain an appropriate modelling method for bolted joints. This was carried out by evaluating four different finite element (FE) models of the assembled plates and bolts namely the solid plates-bolts model, plates without bolt model, hybrid plates-bolts model and simplified plates-bolts model. FE modal analysis was conducted for all four initial FE models of the bolted joints. Results of the FE modal analysis were compared with the experimental modal analysis (EMA) results. EMA was performed to extract the natural frequencies and mode shapes of the test physical structure with bolted joints. Evaluation was made by comparing the number of nodes, number of elements, elapsed computer processing unit (CPU) time, and the total percentage of errors of each initial FE model when compared with EMA result. The evaluation showed that the simplified plates-bolts model could most accurately predict the dynamic behaviour of the structure with bolted joints. This study proved that the reliable, efficient and economic modelling of bolted joints, mainly the representation of the bolting, has played a crucial element in ensuring the accuracy of the dynamic behaviour prediction.
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
2017-07-05
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.
NASA Astrophysics Data System (ADS)
Alzate-Cardona, J. D.; Barco-Rios, H.; Restrepo-Parra, E.
2018-02-01
The magnetocaloric behavior of La{2/{3}} Ca{1/{3}} Mn1-x Fe x O3 for x = 0.00, 0.02, 0.03, 0.05, 0.07, 0.08 and 0.10 under the influence of an external magnetic field was simulated and analyzed. Simulations were carried out using the Monte Carlo method and the classical Heisenberg model under the Metropolis algorithm. These mixed valence manganites are characterized by having three types of magnetic ions corresponding to Mn4+≤ft(S=\\frac{3}{2}\\right) , which are bonded with Ca2+ , and Mneg3+ and Mneg\\prime3+ (S=2) , related to La3+ . The Fe ions were randomly included, replacing Mn ions. With this model, the magnetic entropy change, Δ S , in an isothermal process was determined. -Δ Sm showed maximum peaks around the paramagnetic-ferromagnetic transition temperature, which depends on Fe doping. Relative cooling power was computed for different Fe concentrations varying the magnetic applied field. Our model and results show that the Fe doping decreases the magnetocaloric effect in the La{2/{3}} Ca{1/{3}} Mn1-x Fe x O3, making this a bad candidate for magnetic refrigeration. The strong dependence of the magnetocaloric behavior on Fe doping and the external magnetic field in La{2/{3}} Ca{1/{3}} Mn1-x Fe x O3 can boost these materials for the future technological applications.
Ma, Jie; Zhuang, Yuan; Yu, Fei
2015-06-28
A magnetic CNTs-C@Fe-chitosan composite (CNTs-C@Fe-CS) was prepared based on as-prepared carbon nanotubes (APCNTs). The metal nanoparticles in APCNTs could be utilized directly without any purification treatment, and the carbon shells provide an effective barrier against oxidation, acid dissolution, and movement of the MNPs, thus ensuring the long-term stability of CNTs-C@Fe-CS. The results showed that CNTs-C@Fe-CS contained more abundant oxygen and nitrogen containing functional groups after chitosan modification and the composite had good magnetization characteristics, even in acidic solutions. Then CNTs-C@Fe-CS was used as an adsorbent for the removal of tetracycline from aqueous solutions. Adsorption experiments indicated that CNTs-C@Fe-CS have a good adsorption capacity (qe) of tetracycline (104 mg g(-1)). The Freundlich isotherm model fitted the experimental data better than the Langmuir isotherm model. Kinetic regression results showed that the adsorption kinetics was more accurately represented by a pseudo second-order model. Intra-particle diffusion was involved in the adsorption, but it was not the only rate-controlling step. Cu(2+) and humic acid could promote the adsorption of tetracycline on CNTs-C@Fe-CS. The CNTs-C@Fe-CS adsorbents could be effectively and quickly separated by applying an external magnetic field and the adsorption capacity was still maintained at 99.3 mg g(-1) after being used 10 times. Therefore, CNTs-C@Fe-CS is a promising magnetic nanomaterial for preconcentration and separation of organic pollutants for environmental remediation.
Interface perpendicular magnetic anisotropy in ultrathin Ta/NiFe/Pt layered structures
NASA Astrophysics Data System (ADS)
Hirayama, Shigeyuki; Kasai, Shinya; Mitani, Seiji
2018-01-01
Interface perpendicular magnetic anisotropy (PMA) in ultrathin Ta/NiFe/Pt layered structures was investigated through magnetization measurements. Ta/NiFe/Pt films with NiFe layer thickness (t) values of 2 nm or more showed typical in-plane magnetization curves, which was presumably due to the dominant contribution of the shape magnetic anisotropy. The thickness dependence of the saturation magnetization of the entire NiFe layer (M s) was well analyzed using the so-called dead-layer model, showing that the magnetically active part of the NiFe layer has saturation magnetization (M\\text{s}\\text{act}) independent of t and comparable to the bulk value. In the perpendicular direction, the saturation field H k was found to clearly decrease with decreasing t, while the effective field of shape magnetic anisotropy due to the active NiFe saturation magnetization M\\text{s}\\text{act} should be independent of t. These observations show that there exists interface PMA in the layered structures. The interface PMA energy density was determined to be ∼0.17 erg/cm2 using the dead-layer model. Motivated by the correlation observed between M s and H k, we also attempted to interpret the experimental results using an alternative approach beyond the dead-layer model; however, it gives only implications on the incomplete validity of the dead-layer model and no better understanding.
Li, Shanshan; Zhang, Chen; Wang, Meng; Li, Yu
2014-01-01
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.
Guley, Natalie H.; Rogers, Joshua T.; Del Mar, Nobel A.; Deng, Yunping; Islam, Rafiqul M.; D'Surney, Lauren; Ferrell, Jessica; Deng, Bowei; Hines-Beard, Jessica; Bu, Wei; Ren, Huiling; Elberger, Andrea J.; Marchetta, Jeffrey G.; Rex, Tonia S.; Honig, Marcia G.
2016-01-01
Abstract Mild traumatic brain injury (TBI) from focal head impact is the most common form of TBI in humans. Animal models, however, typically use direct impact to the exposed dura or skull, or blast to the entire head. We present a detailed characterization of a novel overpressure blast system to create focal closed-head mild TBI in mice. A high-pressure air pulse limited to a 7.5 mm diameter area on the left side of the head overlying the forebrain is delivered to anesthetized mice. The mouse eyes and ears are shielded, and its head and body are cushioned to minimize movement. This approach creates mild TBI by a pressure wave that acts on the brain, with minimal accompanying head acceleration-deceleration. A single 20-psi blast yields no functional deficits or brain injury, while a single 25–40 psi blast yields only slight motor deficits and brain damage. By contrast, a single 50–60 psi blast produces significant visual, motor, and neuropsychiatric impairments and axonal damage and microglial activation in major fiber tracts, but no contusive brain injury. This model thus reproduces the widespread axonal injury and functional impairments characteristic of closed-head mild TBI, without the complications of systemic or ocular blast effects or head acceleration that typically occur in other blast or impact models of closed-skull mild TBI. Accordingly, our model provides a simple way to examine the biomechanics, pathophysiology, and functional deficits that result from TBI and can serve as a reliable platform for testing therapies that reduce brain pathology and deficits. PMID:26414413
Zhou, Ang; Crossland, Patrick M; Draksharapu, Apparao; Jasniewski, Andrew J; Kleespies, Scott T; Que, Lawrence
2018-01-01
Nonheme oxoiron(IV) complexes can serve as synthons for generating heterobimetallic oxo-bridged dimetal complexes by reaction with divalent metal complexes. The formation of Fe III -O-Cr III and Fe III -O-Mn III complexes is described herein. The latter complexes may serve as models for the Fe III -X-Mn III active sites of an emerging class of Fe/Mn enzymes represented by the Class 1c ribonucleotide reductase from Chlamydia trachomatis and the R2-like ligand-binding oxidase (R2lox) found in Mycobacterium tuberculosis. These synthetic complexes have been characterized by UV-Vis, resonance Raman, and X-ray absorption spectroscopy, as well as electrospray mass spectrometry. The Fe III -O-Cr III complexes exhibit a three-band UV-Vis pattern that differs from the simpler features associated with Fe III -O-Fe III complexes. The positions of these features are modulated by the nature of the supporting polydentate ligand on the iron center, and their bands intensify dramatically in two examples upon the binding of an axial cyanate or thiocyanate ligand trans to the oxo bridge. In contrast, the Fe III -O-Mn III complexes resemble Fe III -O-Fe III complexes more closely. Resonance Raman characterization of the Fe III -O-M III complexes reveals an 18 O-sensitive vibration in the range of 760-890 cm -1 . This feature has been assigned to the asymmetric Fe III -O-M III stretching mode and correlates reasonably with the Fe-O bond distance determined by EXAFS analysis. The likely binding of an acetate as a bridging ligand to the Fe III -O-Mn III complex 12 lays the foundation for further efforts to model the heterobimetallic active sites of Fe/Mn enzymes.
Cravotta, Charles A.
2015-01-01
Watershed-scale monitoring, field aeration experiments, and geochemical equilibrium and kinetic modeling were conducted to evaluate interdependent changes in pH, dissolved CO2, O2, and Fe(II) concentrations that typically take place downstream of net-alkaline, circumneutral coal-mine drainage (CMD) outfalls and during aerobic treatment of such CMD. The kinetic modeling approach, using PHREEQC, accurately simulates observed variations in pH, Fe(II) oxidation, alkalinity consumption, and associated dissolved gas concentrations during transport downstream of the CMD outfalls (natural attenuation) and during 6-h batch aeration tests on the CMD using bubble diffusers (enhanced attenuation). The batch aeration experiments demonstrated that aeration promoted CO2 outgassing, thereby increasing pH and the rate of Fe(II) oxidation. The rate of Fe(II) oxidation was accurately estimated by the abiotic homogeneous oxidation rate law −d[Fe(II)]/dt = k1·[O2]·[H+]−2·[Fe(II)] that indicates an increase in pH by 1 unit at pH 5–8 and at constant dissolved O2 (DO) concentration results in a 100-fold increase in the rate of Fe(II) oxidation. Adjusting for sample temperature, a narrow range of values for the apparent homogeneous Fe(II) oxidation rate constant (k1′) of 0.5–1.7 times the reference value of k1 = 3 × 10−12 mol/L/min (for pH 5–8 and 20 °C), reported by Stumm and Morgan (1996), was indicated by the calibrated models for the 5-km stream reach below the CMD outfalls and the aerated CMD. The rates of CO2 outgassing and O2ingassing in the model were estimated with first-order asymptotic functions, whereby the driving force is the gradient of the dissolved gas concentration relative to equilibrium with the ambient atmosphere. Although the progressive increase in DO concentration to saturation could be accurately modeled as a kinetic function for the conditions evaluated, the simulation of DO as an instantaneous equilibrium process did not affect the model results for Fe(II) or pH. In contrast, the model results for pH and Fe(II) were sensitive to the CO2 mass transfer rate constant (kL,CO2a). The value of kL,CO2a estimated for the stream (0.010 min−1) was within the range for the batch aeration experiments (0–0.033 min−1). These results indicate that the abiotic homogeneous Fe(II) oxidation rate law, with adjustments for variations in temperature and CO2 outgassing rate, may be applied to predict changes in aqueous iron and pH for net-alkaline, ferruginous waters within a stream (natural conditions) or a CMD treatment system (engineered conditions).
Parameterization and Validation of an Integrated Electro-Thermal LFP Battery Model
2012-01-01
integrated electro- thermal model for an A123 26650 LiFePO4 battery is presented. The electrical dynamics of the cell are described by an equivalent...the parameterization of an integrated electro-thermal model for an A123 26650 LiFePO4 battery is presented. The electrical dynamics of the cell are...the average of the charge and discharge curves taken at very low current (C/20), since the LiFePO4 cell chemistry is known to yield a hysteresis effect
NASA Astrophysics Data System (ADS)
Zaid, Hayyiratul Fatimah Mohd; Kait, Chong Fai; Mutalib, Mohamed Ibrahim Abdul
2016-11-01
A series of metal doped TiO2 namely Fe/TiO2, Cu/TiO2 and Cu-Fe/TiO2 were synthesized and characterized, to be used as a photocatalyst in the integrated photooxidative extractive deep desulfurization for model oil (dodecane) and diesel fuel. The order of the photocatalytic activity was Cu-Fe/TiO2 followed by Cu/TiO2 and then Fe/TiO2. Cu-Fe/TiO2 was an effective photocatalyst for sulfur conversion at ambient atmospheric pressure. Hydrogen peroxide was used as the source of oxidant and eutectic-based ionic liquid as the extractant. Sulfur conversion in model oil reached 100%. Removal of sulfur from model oil was done by two times extraction with a removal of 97.06% in the first run and 2.94% in the second run.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Slater, Lee; Ntarlagiannis, Dimitrios; Personna, Yves R.
2007-10-01
The authors measured Spectral Induced Polarization (SIP) signatures in sand columns during (1) FeS biomineralization produced by sulfate reducing bacteria (D. vulgaris) under anaerboci conditions, and (2) subsequent biomineral dissolution upon return to an aerobic state. The low-frequency (0.1-10 Hz peak) relaxations produced during biomineralization can be modeled with a Cole-Cole formulation, from which the evolution of the polarization magnitude and relaxation length scale can be estimated. They find that the modeled time constant is consistent with the polarizable elements being biomineral encrused pores. Evolution of the model parameters is consistent with FeS surface area increases and pore-size reduction duringmore » biomineral growth, and subsequent biomineral dissolution (FeS surface area decreases and pore expansion) upon return to the aerobic state. They conclude that SIP signatures are diagnostic of pore-scale geometrical changes associated with FeS biomineralization by sulfate reducing bacteria.« less
Kolling, Derrick R. J.; Samoilova, Rimma I.; Shubin, Alexander A.; Crofts, Antony R.; Dikanov, Sergei A.
2008-01-01
The proton environment of the reduced [2Fe-2S] cluster in the water-soluble head domain of the Rieske iron—sulfur protein (ISF) from the cytochrome bc1 complex of Rhodobacter sphaeroides has been studied by orientation-selected X-band 2D ESEEM. The 2D spectra show multiple cross-peaks from protons, with considerable overlap. Samples in which 1H2O water was replaced by 2H2O were used to determine which of the observed peaks belong to exchangeable protons, likely involved in hydrogen bonds in the neighborhood of the cluster. By correlating the cross-peaks from 2D spectra recorded at different parts of the EPR spectrum, lines from nine distinct proton signals were identified. Assignment of the proton signals was based on a point-dipole model for interaction with electrons of Fe(III) and Fe(II) ions, using the high-resolution structure of ISF from Rb. sphaeroides. Analysis of experimental and calculated tensors has led us to conclude that even 2D spectra do not completely resolve all contributions from nearby protons. Particularly, the seven resolved signals from non-exchangeable protons could be produced by at least thirteen protons. The contributions from exchangeable protons were resolved by difference spectra (1H2O minus 2H2O), and assigned to two groups of protons with distinct anisotropic hyperfine values. The largest measured coupling exceeded any calculated value. This discrepancy could result from limitations of the point dipole approximation in dealing with the distribution of spin density over the sulfur atoms of the cluster and the cysteine ligands, or from differences between the structure in solution and the crystallographic structure. The approach demonstrated here provides a paradigm for a wide range of studies in which hydrogen-bonding interactions with metallic centers has a crucial role in understanding of function. PMID:19099453
Study on SOC wavelet analysis for LiFePO4 battery
NASA Astrophysics Data System (ADS)
Liu, Xuepeng; Zhao, Dongmei
2017-08-01
Improving the prediction accuracy of SOC can reduce the complexity of the conservative and control strategy of the strategy such as the scheduling, optimization and planning of LiFePO4 battery system. Based on the analysis of the relationship between the SOC historical data and the external stress factors, the SOC Estimation-Correction Prediction Model based on wavelet analysis is established. Using wavelet neural network prediction model is of high precision to achieve forecast link, external stress measured data is used to update parameters estimation in the model, implement correction link, makes the forecast model can adapt to the LiFePO4 battery under rated condition of charge and discharge the operating point of the variable operation area. The test results show that the method can obtain higher precision prediction model when the input and output of LiFePO4 battery are changed frequently.
Mishra, Varsha; Puthucheri, Smitha; Singh, Dharmendra
2018-05-07
As a preventive measure against the electromagnetic (EM) wave exposure to human body, EM radiation regulatory authorities such as ICNIRP and FCC defined the value of specific absorption rate (SAR) for the human head during EM wave exposure from mobile phone. SAR quantifies the absorption of EM waves in the human body and it mainly depends on the dielectric properties (ε', σ) of the corresponding tissues. The head part of the human body is more susceptible to EM wave exposure due to the usage of mobile phones. The human head is a complex structure made up of multiple tissues with intermixing of many layers; thus, the accurate measurement of permittivity (ε') and conductivity (σ) of the tissues of the human head is still a challenge. For computing the SAR, researchers are using multilayer model, which has some challenges for defining the boundary for layers. Therefore, in this paper, an attempt has been made to propose a method to compute effective complex permittivity of the human head in the range of 0.3 to 3.0 GHz by applying De-Loor mixing model. Similarly, for defining the thermal effect in the tissue, thermal properties of the human head have also been computed using the De-Loor mixing method. The effective dielectric and thermal properties of equivalent human head model are compared with the IEEE Std. 1528. Graphical abstract ᅟ.
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
2014-11-01
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.
NASA Astrophysics Data System (ADS)
Liu, Chengsong; Yang, Shufeng; Li, Jingshe; Ni, Hongwei; Zhang, Xueliang
2017-04-01
The aim of this study was to control the physicochemical characteristics of inclusions in steel through appropriate heat treatment. Using a confocal scanning laser microscope (CSLM) and pipe furnace, the solid-state reactions between Fe-Al-Ca alloy and Al2O3-CaO-FeO oxide during heat treatment at 1473 K (1200 °C) and the influence of these reactions on the compositions of and phases in the alloy and oxide were investigated by the diffusion couple method. Suitable pretreatment of the oxide using a CSLM and production of the diffusion couple of Fe-Al-Ca alloy and Al2O3-CaO-FeO oxide gave good contact between the alloy and oxide. The diffusion couple was then sealed in a quartz tube with a piece of Ti foil to lower oxygen partial pressure and a block of Fe-Al-Ca alloy was introduced to conduct heat treatment experiments. Solid-state reactions between the alloy and oxide during heat treatment at 1473 K (1200 °C) were analyzed and discussed. A dynamic model to calculate the width of the particle precipitation zone based on the Wagner model of internal oxidation of metal was proposed. This model was helpful to understand the solid-state reaction mechanism between Fe-Al-Ca alloy and Al2O3-CaO-FeO oxide.
Formability and thermal stability of phase in (Fe1-y Coy)-(B, C, N) films
NASA Astrophysics Data System (ADS)
Sunaga, K.; Kadowaki, S.; Tsunoda, M.; Takahashi, M.
2004-06-01
In order to find a way to obtain stable -Fe16X2 phase, the formability and thermal stability of (bct) phase were discussed. According to a rigid sphere model, we concluded that the less formability of B for the phase is due to its large atomic radius. We elucidated the difference of thermal stability of -Fe-X, taking into account their decomposition process. While, the decomposition of -Fe-N progresses only by the migration of N, without changing the bone structure of Fe lattice, the additional energy is needed to break the original α-Fe lattice in the cases of α-Fe-B and α-Fe-C. Therefore thermal stability of α-Fe-B and α-Fe-C is higher than that of α-Fe-N.
Galactic evolution of oxygen. OH lines in 3D hydrodynamical model atmospheres
NASA Astrophysics Data System (ADS)
González Hernández, J. I.; Bonifacio, P.; Ludwig, H.-G.; Caffau, E.; Behara, N. T.; Freytag, B.
2010-09-01
Context. Oxygen is the third most common element in the Universe. The measurement of oxygen lines in metal-poor unevolved stars, in particular near-UV OH lines, can provide invaluable information about the properties of the Early Galaxy. Aims: Near-UV OH lines constitute an important tool to derive oxygen abundances in metal-poor dwarf stars. Therefore, it is important to correctly model the line formation of OH lines, especially in metal-poor stars, where 3D hydrodynamical models commonly predict cooler temperatures than plane-parallel hydrostatic models in the upper photosphere. Methods: We have made use of a grid of 52 3D hydrodynamical model atmospheres for dwarf stars computed with the code CO5BOLD, extracted from the more extended CIFIST grid. The 52 models cover the effective temperature range 5000-6500 K, the surface gravity range 3.5-4.5 and the metallicity range -3 < [Fe/H] < 0. Results: We determine 3D-LTE abundance corrections in all 52 3D models for several OH lines and ion{Fe}{i} lines of different excitation potentials. These 3D-LTE corrections are generally negative and reach values of roughly -1 dex (for the OH 3167 with excitation potential of approximately 1 eV) for the higher temperatures and surface gravities. Conclusions: We apply these 3D-LTE corrections to the individual O abundances derived from OH lines of a sample the metal-poor dwarf stars reported in Israelian et al. (1998, ApJ, 507, 805), Israelian et al. (2001, ApJ, 551, 833) and Boesgaard et al. (1999, AJ, 117, 492) by interpolating the stellar parameters of the dwarfs in the grid of 3D-LTE corrections. The new 3D-LTE [O/Fe] ratio still keeps a similar trend as the 1D-LTE, i.e., increasing towards lower [Fe/H] values. We applied 1D-NLTE corrections to 3D ion{Fe}{i} abundances and still see an increasing [O/Fe] ratio towards lower metallicites. However, the Galactic [O/Fe] ratio must be revisited once 3D-NLTE corrections become available for OH and Fe lines for a grid of 3D hydrodynamical model atmospheres.
Vibrational spectroscopy reveals the initial steps of biological hydrogen evolution.
Katz, S; Noth, J; Horch, M; Shafaat, H S; Happe, T; Hildebrandt, P; Zebger, I
2016-11-01
[FeFe] hydrogenases are biocatalytic model systems for the exploitation and investigation of catalytic hydrogen evolution. Here, we used vibrational spectroscopic techniques to characterize, in detail, redox transformations of the [FeFe] and [4Fe4S] sub-sites of the catalytic centre (H-cluster) in a monomeric [FeFe] hydrogenase. Through the application of low-temperature resonance Raman spectroscopy, we discovered a novel metastable intermediate that is characterized by an oxidized [Fe I Fe II ] centre and a reduced [4Fe4S] 1+ cluster. Based on this unusual configuration, this species is assigned to the first, deprotonated H-cluster intermediate of the [FeFe] hydrogenase catalytic cycle. Providing insights into the sequence of initial reaction steps, the identification of this species represents a key finding towards the mechanistic understanding of biological hydrogen evolution.
Predicting brain acceleration during heading of soccer ball
NASA Astrophysics Data System (ADS)
Taha, Zahari; Hasnun Arif Hassan, Mohd; Azri Aris, Mohd; Anuar, Zulfika
2013-12-01
There has been a long debate whether purposeful heading could cause harm to the brain. Studies have shown that repetitive heading could lead to degeneration of brain cells, which is similarly found in patients with mild traumatic brain injury. A two-degree of freedom linear mathematical model was developed to study the impact of soccer ball to the brain during ball-to-head impact in soccer. From the model, the acceleration of the brain upon impact can be obtained. The model is a mass-spring-damper system, in which the skull is modelled as a mass and the neck is modelled as a spring-damper system. The brain is a mass with suspension characteristics that are also defined by a spring and a damper. The model was validated by experiment, in which a ball was dropped from different heights onto an instrumented dummy skull. The validation shows that the results obtained from the model are in a good agreement with the brain acceleration measured from the experiment. This findings show that a simple linear mathematical model can be useful in giving a preliminary insight on what human brain endures during a ball-to-head impact.
Modeling heading and path perception from optic flow in the case of independently moving objects
Raudies, Florian; Neumann, Heiko
2013-01-01
Humans are usually accurate when estimating heading or path from optic flow, even in the presence of independently moving objects (IMOs) in an otherwise rigid scene. To invoke significant biases in perceived heading, IMOs have to be large and obscure the focus of expansion (FOE) in the image plane, which is the point of approach. For the estimation of path during curvilinear self-motion no significant biases were found in the presence of IMOs. What makes humans robust in their estimation of heading or path using optic flow? We derive analytical models of optic flow for linear and curvilinear self-motion using geometric scene models. Heading biases of a linear least squares method, which builds upon these analytical models, are large, larger than those reported for humans. This motivated us to study segmentation cues that are available from optic flow. We derive models of accretion/deletion, expansion/contraction, acceleration/deceleration, local spatial curvature, and local temporal curvature, to be used as cues to segment an IMO from the background. Integrating these segmentation cues into our method of estimating heading or path now explains human psychophysical data and extends, as well as unifies, previous investigations. Our analysis suggests that various cues available from optic flow help to segment IMOs and, thus, make humans' heading and path perception robust in the presence of such IMOs. PMID:23554589
NASA Astrophysics Data System (ADS)
Kirdyashkin, A. A.; Kirdyashkin, A. G.; Gurov, V. V.
2017-07-01
Based on laboratory and theoretical modeling results, we present the thermal and hydrodynamical structure of the plume conduit during plume ascent and eruption on the Earth's surface. The modeling results show that a mushroom-shaped plume head forms after melt eruption on the surface for 1.9 < Ka < 10. Such plumes can be responsible for the formation of large intrusive bodies, including batholiths. The results of laboratory modeling of plumes with mushroom-shaped heads are presented for Ka = 8.7 for a constant viscosity and uniform melt composition. Images of flow patterns are obtained, as well as flow velocity profiles in the melt of the conduit and the head of the model plume. Based on the laboratory modeling data, we present a scheme of a thermochemical plume with a mushroom-shaped head responsible for the formation of a large intrusive body (batholith). After plume eruption to the surface, melting occurs along the base of the massif above the plume head, resulting in a mushroom-shaped plume head. A possible mechanism for the formation of localized surface manifestations of batholiths is presented. The parameters of some plumes with mushroom-shaped heads (plumes of the Altay-Sayan and Barguzin-Vitim large-igneous provinces, and Khangai and Khentei plumes) are estimated using geological data, including age intervals and volumes of magma melts.
NASA Astrophysics Data System (ADS)
Dmochowski, Jacek P.; Bikson, Marom; Parra, Lucas C.
2012-10-01
Rational development of transcranial current stimulation (tCS) requires solving the ‘forward problem’: the computation of the electric field distribution in the head resulting from the application of scalp currents. Derivation of forward models has represented a major effort in brain stimulation research, with model complexity ranging from spherical shells to individualized head models based on magnetic resonance imagery. Despite such effort, an easily accessible benchmark head model is greatly needed when individualized modeling is either undesired (to observe general population trends as opposed to individual differences) or unfeasible. Here, we derive a closed-form linear system which relates the applied current to the induced electric potential. It is shown that in the spherical harmonic (Fourier) domain, a simple scalar multiplication relates the current density on the scalp to the electric potential in the brain. Equivalently, the current density in the head follows as the spherical convolution between the scalp current distribution and the point spread function of the head, which we derive. Thus, if one knows the spherical harmonic representation of the scalp current (i.e. the electrode locations and current intensity to be employed), one can easily compute the resulting electric field at any point inside the head. Conversely, one may also readily determine the scalp current distribution required to generate an arbitrary electric field in the brain (the ‘backward problem’ in tCS). We demonstrate the simplicity and utility of the model with a series of characteristic curves which sweep across a variety of stimulation parameters: electrode size, depth of stimulation, head size and anode-cathode separation. Finally, theoretically optimal montages for targeting an infinitesimal point in the brain are shown.
Superparamagnetic Fe3O4 particles formed by oxidation of pyrite heated in an anoxic atmosphere
Thorpe, A.N.; Senftle, F.E.; Talley, R.; Hetherington, S.; Dulong, F.
1990-01-01
As a follow-up to previous gas analysis experiments in which pyrite was heated to 681 K in an anoxic (oxygen starved) atmosphere, the first oxidation product, FeSO4, was studied as a bulk material. No decomposition of FeSO4 to Fe3O4 was observed in the temperature range studied. The lack of decomposition of bulk FeSO4 to Fe3O4 suggests that FeS2 oxidizes directly to Fe3O4, or that FeSO4, FeS2 and O2 react together to form Fe3O4. Magnetic susceptibility and magnetization measurements, along with magnetic hysteresis curves, show that small particles of Fe3O4 form on the pyrite surface, rather than a continuous layer of bulk Fe3O4. A working model describing the oxidation steps is presented. ?? 1990.
Modeling and Recovery of Iron (Fe) from Red Mud by Coal Reduction
NASA Astrophysics Data System (ADS)
Zhao, Xiancong; Li, Hongxu; Wang, Lei; Zhang, Lifeng
Recovery of Fe from red mud has been studied using statistically designed experiments. The effects of three factors, namely: reduction temperature, reduction time and proportion of additive on recovery of Fe have been investigated. Experiments have been carried out using orthogonal central composite design and factorial design methods. A model has been obtained through variance analysis at 92.5% confidence level.
Xiang, Yongqing; Yakushin, Sergei B; Cohen, Bernard; Raphan, Theodore
2006-12-01
A neural network model was developed to explain the gravity-dependent properties of gain adaptation of the angular vestibuloocular reflex (aVOR). Gain changes are maximal at the head orientation where the gain is adapted and decrease as the head is tilted away from that position and can be described by the sum of gravity-independent and gravity-dependent components. The adaptation process was modeled by modifying the weights and bias values of a three-dimensional physiologically based neural network of canal-otolith-convergent neurons that drive the aVOR. Model parameters were trained using experimental vertical aVOR gain values. The learning rule aimed to reduce the error between eye velocities obtained from experimental gain values and model output in the position of adaptation. Although the model was trained only at specific head positions, the model predicted the experimental data at all head positions in three dimensions. Altering the relative learning rates of the weights and bias improved the model-data fits. Model predictions in three dimensions compared favorably with those of a double-sinusoid function, which is a fit that minimized the mean square error at every head position and served as the standard by which we compared the model predictions. The model supports the hypothesis that gravity-dependent adaptation of the aVOR is realized in three dimensions by a direct otolith input to canal-otolith neurons, whose canal sensitivities are adapted by the visual-vestibular mismatch. The adaptation is tuned by how the weights from otolith input to the canal-otolith-convergent neurons are adapted for a given head orientation.
57Fe CEMS study on dilute metal ions codoped SnO2 thin films prepared by spray pyrolysis
NASA Astrophysics Data System (ADS)
Nomura, Kiyoshi; Koike, Yuya; Nakanishi, Akio
2017-11-01
Dilute Mn-Fe, Co-Fe and V-Fe codoped tin oxide films prepared by spray pyrolysis were characterized by 57Fe conversion electron Mössbauer spectrometry (CEMS) at room temperature (RT) and at 20 K. Two kinds of paramagnetic Fe3+ species were detected at RT; one doublet 1 (D1) with IS = 0.36-0.37 mm/s, QS = 0.69-0.75 mm/s and LW = 0.32-0.40 mm/s, and another doublet 2 (D2) with IS = 0.31-0.35 mm/s QS = 1.16-1.25 mm/s and LW = 0.46-0.52 mm/s. CEMS at 20 K provided more distinguished doublets than at RT. It is found that especially D2 with relatively small IS and large QS values are influenced by other metal ions codoped in SnO2 matrix, whereas D1 with relatively large IS and small QS has the parameters close to the models of Fe-VO1 and Fe-2VO1-Fe models (Nomura et al. Phys. Rev. B 75, 184411 2007; Mudarra Navarro et al. J. Phys. Chem. C 119, 5596-5603 2015).
Simulations of Lithium-Magnetite Electrodes Incorporating Phase Change
Knehr, Kevin W.; Cama, Christina A.; Brady, Nicholas W.; ...
2017-04-09
In this work, the phase changes occurring in magnetite (Fe 3O 4) during lithiation and voltage recovery experiments are modeled using a model that simulates the electrochemical performance of a Fe 3O 4 electrode by coupling the lithium transport in the agglomerate and nano-crystal length-scales to thermodynamic and kinetic expressions. Phase changes are described using kinetic expressions based on the Avrami theory for nucleation and growth. Also, simulated results indicate that the slow, linear voltage change observed at long times during the voltage recovery experiments can be attributed to a slow phase change from α-Li xFe 3O 4 to β-Limore » 4Fe 3O 4. In addition, the long voltage plateau at ~1.2 V observed during lithiation of electrodes is attributed to conversion from α-Li xFe 3O 4 to γ-(4 Li 2O + 3 Fe). Simulations for the lithiation of 6 and 32 nm Fe 3O 4 suggest the rate of conversion to γ-(4 Li 2O + 3 Fe) decreases with decreasing crystal size.« less
Biomechanical behavior of cavity configuration on micropush-out test: a finite-element-study.
Cekic-Nagas, Isil; Shinya, Akikazu; Ergun, Gulfem; Vallittu, Pekka K; Lassila, Lippo V J
2011-01-01
The objective of this study was to simulate the micropush-out bond strength test from a biomechanical point of view. For this purpose, stress analysis using finite element (FE) method was performed. Three different occlusal cavity shapes were simulated in disc specimens (model A: 1.5 mm cervical, 2 mm occlusal diameter; model B: 1.5 mm cervical, 1.75 mm occlusal diameter; model C: 1.5 mm cervical, 1.5 mm occlusal diameter). Quarter sizes of 3D FE specimen models of 4.0 x 4.0 x 1.25 mm3 were constructed. In order to avoid quantitative differences in the stress value in the models, models were derived from a single mapping mesh pattern that generated 47.182 elements and 66.853 nodes. The materials that were used were resin composite (Filtek Z250, 3M ESPE), bonding agent (Adper Scotchbond Multi-Purpose, 3M ESPE) and dentin as an isotropic material. Loading conditions consisted of subjecting a press of 4 MPa to the top of the resin composite discs. The postprocessing files allowed the calculation of the maximum principal stress, minimum principal stress and displacement within the disc specimens and stresses at the bonding layer. FE model construction and analysis were performed on PC workstation (Precision Work Station 670, Dell Inc.) using FE analysis program (ANSYS 10 Sp, ANSYS Inc.). Compressive stress concentrations were observed equally in the bottom interface edge of dentin. Tensile stresses were observed on the top area of dentin and at the half of lower side of composite under the loading point in all of the FE models. The FE model revealed differences in displacement and stress between different cavity shaped disc specimens. As the slope of the cavity was increased, the maximum displacement, compressive and tensile stresses also increased.
A Unified Model of Heading and Path Perception in Primate MSTd
Layton, Oliver W.; Browning, N. Andrew
2014-01-01
Self-motion, steering, and obstacle avoidance during navigation in the real world require humans to travel along curved paths. Many perceptual models have been proposed that focus on heading, which specifies the direction of travel along straight paths, but not on path curvature, which humans accurately perceive and is critical to everyday locomotion. In primates, including humans, dorsal medial superior temporal area (MSTd) has been implicated in heading perception. However, the majority of MSTd neurons respond optimally to spiral patterns, rather than to the radial expansion patterns associated with heading. No existing theory of curved path perception explains the neural mechanisms by which humans accurately assess path and no functional role for spiral-tuned cells has yet been proposed. Here we present a computational model that demonstrates how the continuum of observed cells (radial to circular) in MSTd can simultaneously code curvature and heading across the neural population. Curvature is encoded through the spirality of the most active cell, and heading is encoded through the visuotopic location of the center of the most active cell's receptive field. Model curvature and heading errors fit those made by humans. Our model challenges the view that the function of MSTd is heading estimation, based on our analysis we claim that it is primarily concerned with trajectory estimation and the simultaneous representation of both curvature and heading. In our model, temporal dynamics afford time-history in the neural representation of optic flow, which may modulate its structure. This has far-reaching implications for the interpretation of studies that assume that optic flow is, and should be, represented as an instantaneous vector field. Our results suggest that spiral motion patterns that emerge in spatio-temporal optic flow are essential for guiding self-motion along complex trajectories, and that cells in MSTd are specifically tuned to extract complex trajectory estimation from flow. PMID:24586130
Study of the influence of the laterality of mobile phone use on the SAR induced in two head models
NASA Astrophysics Data System (ADS)
Ghanmi, Amal; Varsier, Nadège; Hadjem, Abdelhamid; Conil, Emmanuelle; Picon, Odile; Wiart, Joe
2013-05-01
The objective of this paper is to investigate and to analyse the influence of the laterality of mobile phone use on the exposure of the brain to radio-frequencies (RF) and electromagnetic fields (EMF) from different mobile phone models using the finite-difference time-domain (FDTD) method. The study focuses on the comparison of the specific absorption rate (SAR) induced on the right and left sides of two numerical adult and child head models. The heads are exposed by both phone models operating in GSM frequency bands for both ipsilateral and contralateral configurations. A slight SAR difference between the two sides of the heads is noted. The results show that the variation between the left and the right sides is more important at 1800 MHz for an ipsilateral use. Indeed, at this frequency, the variation can even reach 20% for the SAR10g and the SAR1g induced in the head and in the brain, respectively. Moreover, the average SAR induced by the mobile phone in the half hemisphere of the brain in ipsilateral exposure is higher than in contralateral exposure. Owing to the superficial character of energy deposition at 1800 MHz, this difference in the SAR induced for the ipsilateral and contralateral usages is more significant at 1800 MHz than at 900 MHz. The results have shown that depending on the phantom head models, the SAR distribution in the brain can vary because of differences in anatomical proportions and in the geometry of the head models. The induced SAR in child head and in sub-regions of the brain is significantly higher (up to 30%) compared to the adult head. This paper confirms also that the shape/design of the mobile and the location of the antenna can have a large influence at high frequency on the exposure of the brain, particularly on the SAR distribution and on the distinguished brain regions.
NASA Astrophysics Data System (ADS)
Sahoo, Jitendra Kumar; Rath, Juhi; Dash, Priyabrat; Sahoo, Harekrushna
2017-05-01
The present work reports the applicability of magnetite iron nanoparticles (Fe3O4) functionalized with ethylenediaminetetraacetic acid (EDTA) as an efficient adsorbent for the removal of Congo red (CR) dye from contaminated water. Magnetic nanoparticles (Fe3O4) are prepared by chemical precipitation method in which Fe2+ and Fe3+ salt from aqueous solution were reacted in presence of ammonia solution. The surface of Fe3O4 nanoparticle was first coated with (3-aminopropyl) triethoxy silane (APTES) by a salinization reaction and then linked with EDTA via reaction between -NH2 and -COOH to form well dispersed surface functionalised biocompatible magnetic nanoparticles. The obtained EDTA functionalized magnetic nanoparticles are characterized in terms of their morphological, XRD, BET surface area analysis, Fourier transform infrared spectroscopy (FT-IR) and Vibrating sample magnetometer (VSM). The adsorption of CR on Fe3O4-APTES-EDTA nanocomposite corresponds well to the Langmuir model and the Freundlich model respectively. The adsorption processes for CR followed the pseudo-second-order model.
Aydin, Senar
2016-12-01
The aim of this study was to investigate the usability of magnetic Fe3O4/red mud nanoparticles (NPs) for the removal of organophosphorus pesticides from water samples. The effect of various experimental parameters such as red mud amount in Fe3O4/red mud-NPs, pH, contact time, initial pesticide concentrations and adsorbent dose was studied in order to find the optimum conditions for their removal in a batch process. The Fe3O4/red mud-NPs were characterized by using TGA, SEM, XRD, VSM, and determination of the BET surface area. After the regenerated Fe3O4/red mud-NPs were used three times, the sorption capacity and the magnetic separability were observed to be unaffected. Freundlich model described the sorption process better than Langmuir isotherm and the pseudo second-order kinetic model was determined as the best-fit model. The film diffusion mechanism was found to be a main rate control mechanism. The Fe3O4/red mud-NPs satisfactorily removed the OPPS from real water samples.
Chakraborty, Saumen; Reed, Julian; Ross, Matthew; Nilges, Mark J; Petrik, Igor D; Ghosh, Soumya; Hammes-Schiffer, Sharon; Sage, J Timothy; Zhang, Yong; Schulz, Charles E; Lu, Yi
2014-02-24
A major barrier to understanding the mechanism of nitric oxide reductases (NORs) is the lack of a selective probe of NO binding to the nonheme FeB center. By replacing the heme in a biosynthetic model of NORs, which structurally and functionally mimics NORs, with isostructural ZnPP, the electronic structure and functional properties of the FeB nitrosyl complex was probed. This approach allowed observation of the first S=3/2 nonheme {FeNO}(7) complex in a protein-based model system of NOR. Detailed spectroscopic and computational studies show that the electronic state of the {FeNO}(7) complex is best described as a high spin ferrous iron (S=2) antiferromagnetically coupled to an NO radical (S=1/2) [Fe(2+)-NO(.)]. The radical nature of the FeB -bound NO would facilitate N-N bond formation by radical coupling with the heme-bound NO. This finding, therefore, supports the proposed trans mechanism of NO reduction by NORs. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Mechanisms for Fe(III) oxide reduction in sedimentary environments
Nevin, Kelly P.; Lovely, Derek R.
2002-01-01
Although it was previously considered that Fe(III)-reducing microorganisms must come into direct contact with Fe(III) oxides in order to reduce them, recent studies have suggested that electron-shuttling compounds and/or Fe(III) chelators, either naturally present or produced by the Fe(III)-reducing microorganisms themselves, may alleviate the need for the Fe(III) reducers to establish direct contact with Fe(III) oxides. Studies with Shewanella alga strain BrY and Fe(III) oxides sequestered within microporous beads demonstrated for the first time that this organism releases a compound(s) that permits electron transfer to Fe(III) oxides which the organism cannot directly contact. Furthermore, as much as 450 w M dissolved Fe(III) was detected in cultures of S. alga growing in Fe(III) oxide medium, suggesting that this organism releases compounds that can solublize Fe(III) from Fe(III) oxide. These results contrast with previous studies, which demonstrated that Geobacter metallireducens does not produce electron-shuttles or Fe(III) chelators. Some freshwater aquatic sediments and groundwaters contained compounds, which could act as electron shuttles by accepting electrons from G. metallireducens and then transferring the electrons to Fe(III). However, other samples lacked significant electron-shuttling capacity. Spectroscopic studies indicated that the electron-shuttling capacity of the waters was not only associated with the presence of humic substances, but water extracts of walnut, oak, and maple leaves contained electron-shuttling compounds did not appear to be humic substances. Porewater from a freshwater aquatic sediment and groundwater from a petroleum-contaminated aquifer contained dissolved Fe(III) (4-16 w M), suggesting that soluble Fe(III) may be available as an electron acceptor in some sedimentary environments. These results demonstrate that in order to accurately model the mechanisms for Fe(III) reduction in sedimentary environments it will be necessary to have information on the concentrations of electron-shuttling compounds and possibly Fe(III) ligands. Furthermore, as it is now apparent that different genera of Fe(III)-reducing microorganisms may reduce Fe(III) via different mechanisms, knowledge of which Fe(III)-reducing microorganisms predominate in the environment of interest is essential in order to model this process appropriately.
Hu, Xinjiang; Zhao, Yunlin; Wang, Hui; Tan, Xiaofei; Yang, Yuanxiu; Liu, Yunguo
2017-01-01
A readily separated composite was prepared via direct assembly of Fe3O4 magnetic nanoparticles onto the surface of graphene oxide (GO) (labeled as Fe3O4@GO) and used as an adsorbent for the removal of tetracycline (TC) from wastewater. The effects of external environmental conditions, such as pH, ionic strength, humic acid (HA), TC concentration, and temperature, on the adsorption process were studied. The adsorption data were analyzed by kinetics and isothermal models. The results show that the Fe3O4@GO composite has excellent sorptive properties and can efficiently remove TC. At low pH, the adsorption capacity of Fe3O4@GO toward TC decreases slowly with increasing pH value, while the adsorption capacity decreases rapidly at higher pH values. The ionic strength has insignificant effect on TC adsorption. The presence of HA affects the affinity of Fe3O4@GO to TC. The pseudo-second-order kinetics model and Langmuir model fit the adsorption data well. When the initial concentration of TC is 100 mg/L, a slow adsorption process dominates. Film diffusion is the rate limiting step of the adsorption. Importantly, Fe3O4@GO has good regeneration performance. The above results are of great significance to promote the application of Fe3O4@GO in the treatment of antibiotic wastewater. PMID:29194395
Origins of giant biquadratic coupling in CoFe/Mn/CoFe sandwich structures (abstract)
NASA Astrophysics Data System (ADS)
Koon, Norman C.
1996-04-01
Recently Filipkowski et al. reported extremely strong, near 90 degree coupling of 2.5 erg/cm2 for epitaxial sandwiches of CoFe/Mn/CoFe, where the CoFe composition was chosen to be a good lattice match to Mn. Both CoFe and Mn have the bcc structure, but Mn is antiferromagnetic while CoFe is ferromagnetic. It was found that the data were very well described by a simple model due to Slonczewski, in which the interlayer coupling is given by Fc=C+(φ1-φ2)2+C-(φ1-φ2-π)2. While this model describes the data much better than the usual biquadratic form, it still does not connect directly to the microscopic origins of the effect. In the present work we seek to explain the results in terms of normal bilinear exchange and magnetocrystalline anisotropy, together with reasonable assumptions about the structure of the interfaces. We obtain excellent agreement with both the experimental results and the Slonczewski model under the assumptions that at least one of the two CoFe/Mn interfaces is smooth (i.e., atomically flat) on a length scale comparable to or greater than the thickness of the Mn layer and at least one interface is rough on a scale less than approximately a domain wall thickness.
From solid solution to cluster formation of Fe and Cr in α-Zr
NASA Astrophysics Data System (ADS)
Burr, P. A.; Wenman, M. R.; Gault, B.; Moody, M. P.; Ivermark, M.; Rushton, M. J. D.; Preuss, M.; Edwards, L.; Grimes, R. W.
2015-12-01
To understand the mechanisms by which the re-solution of Fe and Cr additions increase the corrosion rate of irradiated Zr alloys, the solubility and clustering of Fe and Cr in model binary Zr alloys was investigated using a combination of experimental and modelling techniques - atom probe tomography (APT), x-ray diffraction (XRD), thermoelectric power (TEP) and density functional theory (DFT). Cr occupies both interstitial and substitutional sites in the α-Zr lattice; Fe favours interstitial sites, and a low-symmetry site that was not previously modelled is found to be the most favourable for Fe. Lattice expansion as a function of Fe and Cr content in the α-Zr matrix deviates from Vegard's law and is strongly anisotropic for Fe additions, expanding the c-axis while contracting the a-axis. Matrix content of solutes cannot be reliably estimated from lattice parameter measurements, instead a combination of TEP and APT was employed. Defect clusters form at higher solution concentrations, which induce a smaller lattice strain compared to the dilute defects. In the presence of a Zr vacancy, all two-atom clusters are more soluble than individual point defects and as many as four Fe or three Cr atoms could be accommodated in a single Zr vacancy. The Zr vacancy is critical for the increased apparent solubility of defect clusters; the implications for irradiation induced microstructure changes in Zr alloys are discussed.
Finite Element Analysis of the Effect of Epidural Adhesions.
Lee, Nam; Ji, Gyu Yeul; Yi, Seong; Yoon, Do Heum; Shin, Dong Ah; Kim, Keung Nyun; Ha, Yoon; Oh, Chang Hyun
2016-07-01
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.
NLTE Line Blanketed Model Atmospheres for Hot, Metal-rich White Dwarfs
NASA Astrophysics Data System (ADS)
Hubeny, I.; Lanz, T.
1993-05-01
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.
Grain growth in nanocrystalline iron and Fe-Al alloys
NASA Astrophysics Data System (ADS)
Mirzadeh, Hamed; Zomorodian, Amir
2010-02-01
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.
Efficacy of visor and helmet for blast protection assessed using a computational head model
NASA Astrophysics Data System (ADS)
Singh, D.; Cronin, D. S.
2017-11-01
Head injury resulting from blast exposure has been identified as a challenge that may be addressed, in part, through improved protective systems. Existing detailed head models validated for blast loading were applied to investigate the influence of helmet visor configuration, liner properties, and shell material stiffness. Response metrics including head acceleration and intracranial pressures (ICPs) generated in brain tissue during primary blast exposure were used to assess and compare helmet configurations. The addition of a visor was found to reduce peak head acceleration and positive ICPs. However, negative ICPs associated with a potential for injury were increased when a visor and a foam liner were present. In general, the foam liner material was found to be more significant in affecting the negative ICP response than positive ICP or acceleration. Shell stiffness was found to have relatively small effects on either metric. A strap suspension system, modeled as an air gap between the head and helmet, was more effective in reducing response metrics compared to a foam liner. In cases with a foam liner, lower-density foam offered a greater reduction of negative ICPs. The models demonstrated the "underwash" effect in cases where no foam liner was present; however, the reflected pressures generated between the helmet and head did not translate to significant ICPs in adjacent tissue, when compared to peak ICPs from initial blast wave interaction. This study demonstrated that the efficacy of head protection can be expressed in terms of load transmission pathways when assessed with a detailed computational model.
Fracture-Based Mesh Size Requirements for Matrix Cracks in Continuum Damage Mechanics Models
NASA Technical Reports Server (NTRS)
Leone, Frank A.; Davila, Carlos G.; Mabson, Gerald E.; Ramnath, Madhavadas; Hyder, Imran
2017-01-01
This paper evaluates the ability of progressive damage analysis (PDA) finite element (FE) models to predict transverse matrix cracks in unidirectional composites. The results of the analyses are compared to closed-form linear elastic fracture mechanics (LEFM) solutions. Matrix cracks in fiber-reinforced composite materials subjected to mode I and mode II loading are studied using continuum damage mechanics and zero-thickness cohesive zone modeling approaches. The FE models used in this study are built parametrically so as to investigate several model input variables and the limits associated with matching the upper-bound LEFM solutions. Specifically, the sensitivity of the PDA FE model results to changes in strength and element size are investigated.
Ab initio Studies of Magnetism in the Iron Chalcogenides FeTe and FeSe
NASA Astrophysics Data System (ADS)
Hirayama, Motoaki; Misawa, Takahiro; Miyake, Takashi; Imada, Masatoshi
2015-09-01
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.
Effects of a Tripeptide Iron on Iron-Deficiency Anemia in Rats.
Xiao, Chen; Lei, Xingen; Wang, Qingyu; Du, Zhongyao; Jiang, Lu; Chen, Silu; Zhang, Mingjie; Zhang, Hao; Ren, Fazheng
2016-02-01
This study aims to investigate the effects of a tripeptide iron (REE-Fe) on iron-deficiency anemia rats. Sprague-Dawley rats were randomly divided into seven groups: a normal control group, an iron-deficiency control group, and iron-deficiency groups treated with ferrous sulfate (FeSO4), ferrous glycinate (Fe-Gly), or REE-Fe at low-, medium-, or high-dose groups. The rats in the iron-deficiency groups were fed on an iron-deficient diet to establish iron-deficiency anemia (IDA) model. After the model established, different iron supplements were given to the rats once a day by intragastric administration for 21 days. The results showed that REE-Fe had effective restorative action returning body weight, organ coefficients, and hematological parameters in IDA rats to normal level. In addition, comparing with FeSO4 or Fe-Gly, high-dose REE-Fe was more effective on improving the levels of renal coefficient, total iron-binding capacity, and transferrin. Furthermore, the liver hepcidin messenger RNA (mRNA) expression in the high-dose group was significantly higher (p < 0.05) than that in the FeSO4 or Fe-Gly group and showed no significant difference (p > 0.05) with the normal control group. The findings suggest that REE-Fe is an effective source of iron supplement for IDA rats and might be exploited as a new iron fortifier.
2005-10-01
in whiplash -type injury studies (Table 1). At the time it was the most sophisticated head - neck model available. This model uses a series of rigid...phase of rear-end whiplash loading (i.e. the extension phase). In this initial phase, the head translates backward, putting the upper spine in local...work to characterize neck response in impact scenarios has been performed, the effect of musculature on head -neck whiplash -type response is still
A Finite Element Model of the THOR-K Dummy for Aerospace and Aircraft Impact Simulations
NASA Technical Reports Server (NTRS)
Putnam, Jacob; Untaroiu, Costin D.; Somers, Jeffrey T.; Pellettiere, Joseph
2013-01-01
1) Update and Improve the THOR Finite Element (FE) model to specifications of the latest mod kit (THOR-K). 2) Evaluate the kinematic and kinetic response of the FE model in frontal, spinal, and lateral impact loading conditions.
Zhang, Liyan; Sun, Xin; Tian, Dan; Xu, Rui; Lei, Hao; Al, Jinhui; Zhao, Bo; Chen, Jiying; Chai, Wei; Ma, Shoucheng; Liu, Weijia; Shen, Siyuan
2015-10-01
To establish an rabbit model of early steroid-induced avascular necrosis of the femoral head (SANFH) and evaluate its validity with MRI and pathological examination. Twenty 6-month-old rabbits (weighing, 2-3 kg) were randomly divided into 2 groups (control group and model group), 10 rabbits in each group. Dexamethasone sodium phosphate solution (10 mg/kg) was injected into bilateral gluteus in model group, and the same amount of saline was injected in control group, every 3 days for 14 times. General observation was done after modelling. Osteonecrosis was verified by pathological observation and MRI findings at 6 weeks. After 6 weeks, rabbits did not show obvious changes in control group; increased hair removal, decreased food intake, and slight limp were observed in model group. The MRI results showed normal shape of the bilateral femoral head and no abnormal signals in control group; irregular shape of the bilateral femoral head and a slice of irregular abnormal signals were observed, and necrosis and cystolization of the subchondral bone and sparse changes of trabecular bone were shown in model group. General observation from coronal section of femoral head showed smooth red cartilage surface in control group; on the contrary, the cartilage surface of the femoral head became dull, thin even visible hemorrhage under articular cartilage and necrosis of the femoral head were observed. The histopathological examination indicated that trabecular bone of the femoral head in control group was massive, thick, and close and osteocytes in the bone lacunae had normal shapes. The osseous trabecular became thinner and broken; karyopyknosis of osteocytes and bone empty lacunae could be obviously seen in model. group. The rates of empty lacunae were 8.0% ± 0.5% in control group and 49.0% ± 0.3% in model group, showing significant difference (t = 21.940, P = 0.000). Establishing a model of early SANFH through injecting short-term, shock, and high dose of dexamethasone, and it can been evaluated effectively with MRI and pathological examination.
Nucleosynthesis by Type Ia Supernova for different Metallicity
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ohkubo, Takuya; Umeda, Hideyuki; Nomoto, Ken'ichi
2006-07-12
We calculate nucleosynthesis by type Ia supernova for various metallicity. We adopt two typical hydrodynamical models, carbon deflagration and delayed detonation. The two main points of this research are to see that (1)how the ejected mass of 56Ni changes and (2)how abundance of each element (especially Fe-group elements) is influenced by varying metallicity. We find that (1)56Ni mass changes about 15% in the range of Z = 0.001 - 0.05 and insufficient to explain all of the observed variety of SNe Ia peak luminosity, and (2)[Mn/Fe] and [Ni/Fe] show fairy dependence on metallicity (especially for delayed detonation model) while [Cr/Fe]more » or [{alpha}/Fe] do not.« less
A semi-analytical beam model for the vibration of railway tracks
NASA Astrophysics Data System (ADS)
Kostovasilis, D.; Thompson, D. J.; Hussein, M. F. M.
2017-04-01
The high frequency dynamic behaviour of railway tracks, in both vertical and lateral directions, strongly affects the generation of rolling noise as well as other phenomena such as rail corrugation. An improved semi-analytical model of a beam on an elastic foundation is introduced that accounts for the coupling of the vertical and lateral vibration. The model includes the effects of cross-section asymmetry, shear deformation, rotational inertia and restrained warping. Consideration is given to the fact that the loads at the rail head, as well as those exerted by the railpads at the rail foot, may not act through the centroid of the section. The response is evaluated for a harmonic load and the solution is obtained in the wavenumber domain. Results are presented as dispersion curves for free and supported rails and are validated with the aid of a Finite Element (FE) and a waveguide finite element (WFE) model. Closed form expressions are derived for the forced response, and validated against the WFE model. Track mobilities and decay rates are presented to assess the potential implications for rolling noise and the influence of the various sources of vertical-lateral coupling. Comparison is also made with measured data. Overall, the model presented performs very well, especially for the lateral vibration, although it does not contain the high frequency cross-section deformation modes. The most significant effects on the response are shown to be the inclusion of torsion and foundation eccentricity, which mainly affect the lateral response.
Modeling the Reaction of Fe Atoms with CCl4
DOE Office of Scientific and Technical Information (OSTI.GOV)
Camaioni, Donald M.; Ginovska, Bojana; Dupuis, Michel
2009-01-05
The reaction of zero-valent iron with carbon tetrachloride (CCl4) in gas phase was studied using density functional theory. Temperature programmed desorption experiments over a range of Fe and CCl4 coverages on a FeO(111) surface, demonstrate a rich surface chemistry with several reaction products (C2Cl4, C2Cl6, OCCl2, CO, FeCl2, FeCl3) observed. The reactivity of Fe and CCl4 was studied under three stoichiometries, one Fe with one CCl4, one Fe with two CCl4 molecules and two Fe with one CCl4, modeling the environment of the experimental work. The electronic structure calculations give insight into the reactions leading to the experimentally observed productsmore » and suggest that novel Fe-C-Cl containing species are important intermediates in these reactions. The intermediate complexes are formed in highly exothermic reactions, in agreement with the experimentally observed reactivity with the surface at low temperature (30 K). This initial survey of the reactivity of Fe with CCl4 identifies some potential reaction pathways that are important in the effort to use Fe nano-particles to differentiate harmful pathways that lead to the formation of contaminants like chloroform (CHCl3) from harmless pathways that lead to products such as formate (HCO2-) or carbon oxides in water and soil. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Qafoku, Odeta; Pearce, Carolyn I.; Neumann, Anke
Fe(II)-rich clay minerals found in subsurface redox transition zones (RTZs) can serve as important source of electron equivalents limiting the transport of redox active contaminants. While most laboratory reactivity studies are based on reduced model clays, the reactivity of naturally reduced clays in field samples remains poorly explored. Characterization of the clay size fraction of a fine-grained unit from RTZ interface at the Hanford site, Washington, including mineralogy, crystal chemistry, and Fe(II)/(III) content, indicates that ferruginous montmorillonite is the dominant mineralogical component. Oxic and anoxic fractions differ significantly in Fe(II) concentration, but FeTOTAL remains constant demonstrating no Fe loss duringmore » reduction-oxidation cycling. At its native pH of 8.6, the anoxic fraction despite its significant Fe(II) (~23% of FeTOTAL), exhibits minimal reactivity with TcO4- and CrO42- and much slower reaction kinetics than that measured in studies with biologically/chemically reduced model clays. Reduction capacity is enhanced by added Fe(II) (if Fe(II)SORBED >8% clay Fe(II)LABILE), however the kinetics of this conceptually surface-mediated reaction remain sluggish. Surface-sensitive Fe L-edge X-ray absorption spectroscopy shows that Fe(II)SORBED and the resulting reducing equivalents are not available in the outermost few nanometers of clay surfaces. Slow kinetics thus appear related to diffusion-limited access to electron equivalents retained within clay mineral.« less
Qafoku, Odeta; Pearce, Carolyn I; Neumann, Anke; Kovarik, Libor; Zhu, Mengqiang; Ilton, Eugene S; Bowden, Mark E; Resch, Charles T; Arey, Bruce W; Arenholz, Elke; Felmy, Andrew R; Rosso, Kevin M
2017-08-15
Fe(II)-rich clay minerals found in subsurface redox transition zones (RTZs) can serve as important sources of electron equivalents limiting the transport of redox-active contaminants. While most laboratory reactivity studies are based on reduced model clays, the reactivity of naturally reduced field samples remains poorly explored. Characterization of the clay size fraction of a fine-grained unit from the RTZ interface at the Hanford site, Washington, including mineralogy, crystal chemistry, and Fe(II)/(III) content, indicates that ferruginous montmorillonite is the dominant mineralogical component. Oxic and anoxic fractions differ significantly in Fe(II) natural content, but Fe TOTAL remains constant, demonstrating no Fe loss during its reduction-oxidation cyclings. At native pH of 8.6, the anoxic fraction, despite its significant Fe(II), ∼23% of Fe TOTAL , exhibits minimal reactivity with TcO 4 - and CrO 4 2- and much slower reaction kinetics than those measured in studies with biologically/chemically reduced model clays. Reduction capacity is enhanced by added/sorbed Fe(II) (if Fe(II) SORBED > 8% clay Fe(II) LABILE ); however, the kinetics of this conceptually surface-mediated reaction remain sluggish. Surface-sensitive Fe L-edge X-ray absorption spectroscopy shows that Fe(II) SORBED and the resulting reducing equivalents are not available in the outermost few nanometers of clay surfaces. Slow kinetics thus appear related to diffusion-limited access to electron equivalents retained within the clay mineral structure.
Lau, Stephan; Güllmar, Daniel; Flemming, Lars; Grayden, David B.; Cook, Mark J.; Wolters, Carsten H.; Haueisen, Jens
2016-01-01
Magnetoencephalography (MEG) signals are influenced by skull defects. However, there is a lack of evidence of this influence during source reconstruction. Our objectives are to characterize errors in source reconstruction from MEG signals due to ignoring skull defects and to assess the ability of an exact finite element head model to eliminate such errors. A detailed finite element model of the head of a rabbit used in a physical experiment was constructed from magnetic resonance and co-registered computer tomography imaging that differentiated nine tissue types. Sources of the MEG measurements above intact skull and above skull defects respectively were reconstructed using a finite element model with the intact skull and one incorporating the skull defects. The forward simulation of the MEG signals reproduced the experimentally observed characteristic magnitude and topography changes due to skull defects. Sources reconstructed from measured MEG signals above intact skull matched the known physical locations and orientations. Ignoring skull defects in the head model during reconstruction displaced sources under a skull defect away from that defect. Sources next to a defect were reoriented. When skull defects, with their physical conductivity, were incorporated in the head model, the location and orientation errors were mostly eliminated. The conductivity of the skull defect material non-uniformly modulated the influence on MEG signals. We propose concrete guidelines for taking into account conducting skull defects during MEG coil placement and modeling. Exact finite element head models can improve localization of brain function, specifically after surgery. PMID:27092044
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kim, Sungtae; Marrs, Cassandra; Nemer, Martin
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
Lery, Letícia M S; Bitar, Mainá; Costa, Mauricio G S; Rössle, Shaila C S; Bisch, Paulo M
2010-12-22
G. diazotrophicus and A. vinelandii are aerobic nitrogen-fixing bacteria. Although oxygen is essential for the survival of these organisms, it irreversibly inhibits nitrogenase, the complex responsible for nitrogen fixation. Both microorganisms deal with this paradox through compensatory mechanisms. In A. vinelandii a conformational protection mechanism occurs through the interaction between the nitrogenase complex and the FeSII protein. Previous studies suggested the existence of a similar system in G. diazotrophicus, but the putative protein involved was not yet described. This study intends to identify the protein coding gene in the recently sequenced genome of G. diazotrophicus and also provide detailed structural information of nitrogenase conformational protection in both organisms. Genomic analysis of G. diazotrophicus sequences revealed a protein coding ORF (Gdia0615) enclosing a conserved "fer2" domain, typical of the ferredoxin family and found in A. vinelandii FeSII. Comparative models of both FeSII and Gdia0615 disclosed a conserved beta-grasp fold. Cysteine residues that coordinate the 2[Fe-S] cluster are in conserved positions towards the metallocluster. Analysis of solvent accessible residues and electrostatic surfaces unveiled an hydrophobic dimerization interface. Dimers assembled by molecular docking presented a stable behaviour and a proper accommodation of regions possibly involved in binding of FeSII to nitrogenase throughout molecular dynamics simulations in aqueous solution. Molecular modeling of the nitrogenase complex of G. diazotrophicus was performed and models were compared to the crystal structure of A. vinelandii nitrogenase. Docking experiments of FeSII and Gdia0615 with its corresponding nitrogenase complex pointed out in both systems a putative binding site presenting shape and charge complementarities at the Fe-protein/MoFe-protein complex interface. The identification of the putative FeSII coding gene in G. diazotrophicus genome represents a large step towards the understanding of the conformational protection mechanism of nitrogenase against oxygen. In addition, this is the first study regarding the structural complementarities of FeSII-nitrogenase interactions in diazotrophic bacteria. The combination of bioinformatic tools for genome analysis, comparative protein modeling, docking calculations and molecular dynamics provided a powerful strategy for the elucidation of molecular mechanisms and structural features of FeSII-nitrogenase interaction.
Kim, Sungtae; Marrs, Cassandra; Nemer, Martin; ...
2017-11-20
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
Melting relations in the system FeCO3-MgCO3 and thermodynamic modelling of Fe-Mg carbonate melts
NASA Astrophysics Data System (ADS)
Kang, Nathan; Schmidt, Max W.; Poli, Stefano; Connolly, James A. D.; Franzolin, Ettore
2016-09-01
To constrain the thermodynamics and melting relations of the siderite-magnesite (FeCO3-MgCO3) system, 27 piston cylinder experiments were conducted at 3.5 GPa and 1170-1575 °C. Fe-rich compositions were also investigated with 13 multi-anvil experiments at 10, 13.6 and 20 GPa, 1500-1890 °C. At 3.5 GPa, the solid solution siderite-magnesite coexists with melt over a compositional range of X Mg (=Mg/(Mg + Fetot)) = 0.38-1.0, while at ≥10 GPa solid solution appears to be complete. At 3.5 GPa, the system is pseudo-binary because of the limited stability of siderite or liquid FeCO3, Fe-rich carbonates decomposing at subsolidus conditions to magnetite-magnesioferrite solid solution, graphite and CO2. Similar reactions also occur with liquid FeCO3 resulting in melt species with ferric iron components, but the decomposition of the liquid decreases in importance with pressure. At 3.5 GPa, the metastable melting temperature of pure siderite is located at 1264 °C, whereas pure magnesite melts at 1629 °C. The melting loop is non-ideal on the Fe side where the dissociation reaction resulting in Fe3+ in the melt depresses melting temperatures and causes a minimum. Over the pressure range of 3.5-20 GPa, this minimum is 20-35 °C lower than the (metastable) siderite melting temperature. By merging all present and previous experimental data, standard state (298.15 K, 1 bar) thermodynamic properties of the magnesite melt (MgCO3L) end member are calculated and the properties of (Fe,Mg)CO3 melt fit by a regular solution model with an interaction parameter of -7600 J/mol. The solution model reproduces the asymmetric melting loop and predicts the thermal minimum at 1240 °C near the siderite side at X Mg = 0.2 (3.5 GPa). The solution model is applicable to pressures reaching to the bottom of the upper mantle and allows calculation of phase relations in the FeO-MgO-O2-C system.
Test of level density models from reactions of Li6 on Fe58 and Li7 on Fe57
NASA Astrophysics Data System (ADS)
Oginni, B. M.; Grimes, S. M.; Voinov, A. V.; Adekola, A. S.; Brune, C. R.; Carter, D. E.; Heinen, Z.; Jacobs, D.; Massey, T. N.; O'Donnell, J. E.; Schiller, A.
2009-09-01
The reactions of Li6 on Fe58 and Li7 on Fe57 have been studied at 15 MeV beam energy. These two reactions produce the same compound nucleus, Cu64. The charged particle spectra were measured at backward angles. The data obtained have been compared with Hauser-Feshbach model calculations. The level density parameters of Ni63 and Co60 have been obtained from the particle evaporation spectra. We also find contributions from the break up of the lithium projectiles to the low energy region of the α spectra.
Coercivity scaling in antidot lattices in Fe, Ni, and NiFe thin films
NASA Astrophysics Data System (ADS)
Gräfe, Joachim; Schütz, Gisela; Goering, Eberhard J.
2016-12-01
Antidot lattices can be used to artificially engineer magnetic properties in thin films, however, a conclusive model that describes the coercivity enhancement in this class of magnetic nano-structures has so far not been found. We prepared Fe, Ni, and NiFe thin films and patterned each with 21 square antidot lattices with different geometric parameters and measured their hysteretic behavior. On the basis of this extensive dataset we are able to provide a model that can describe both the coercivity scaling over a wide range of geometric lattice parameters and the influence of different materials.
Han, Wen-Ge; Sandala, Gregory M; Giammona, Debra Ann; Bashford, Donald; Noodleman, Louis
2011-11-14
The R2 subunit of class-Ia ribonucleotide reductase (RNR) from Escherichia coli (E. coli) contains a diiron active site. Starting from the apo-protein and Fe(II) in solution at low Fe(II)/apoR2 ratios, mononuclear Fe(II) binding is observed indicating possible different Fe(II) binding affinities for the two alternative sites. Further, based on their Mössbauer spectroscopy and two-iron-isotope reaction experiments, Bollinger et al. (J. Am. Chem. Soc., 1997, 119, 5976-5977) proposed that the site Fe1, which bonds to Asp84, should be associated with the higher observed (57)Fe Mössbauer quadrupole splitting (2.41 mm s(-1)) and lower isomer shift (0.45 mm s(-1)) in the Fe(III)Fe(III) state, site Fe2, which is further from Tyr122, should have a greater affinity for Fe(II) binding than site Fe1, and Fe(IV) in the intermediate X state should reside at site Fe2. In this paper, using density functional theory (DFT) incorporated with the conductor-like screening (COSMO) solvation model and with the finite-difference Poisson-Boltzmann self-consistent reaction field (PB-SCRF) methodologies, we have demonstrated that the observed large quadrupole splitting for the diferric state R2 does come from site Fe1(III) and it is mainly caused by the binding position of the carboxylate group of the Asp84 sidechain. Further, a series of active site clusters with mononuclear Fe(II) binding at either site Fe1 or Fe2 have been studied, which show that with a single dielectric medium outside the active site quantum region, there is no energetic preference for Fe(II) binding at one site over another. However, when including the explicit extended protein environment in the PB-SCRF model, the reaction field favors the Fe(II) binding at site Fe2 rather than at site Fe1 by ~9 kcal mol(-1). Therefore our calculations support the proposal of the previous Mössbauer spectroscopy and two-iron-isotope reaction experiments by Bollinger et al.
Construction of Martian Interior Model
NASA Astrophysics Data System (ADS)
Zharkov, V. N.; Gudkova, T. V.
2005-09-01
We present the results of extensive numerical modeling of the Martian interior. Yoder et al. in 2003 reported a mean moment of inertia of Mars that was somewhat smaller than the previously used value and the Love number k 2 obtained from observations of solar tides on Mars. These values of k 2 and the mean moment of inertia impose a strong new constraint on the model of the planet. The models of the Martian interior are elastic, while k 2 contains both elastic and inelastic components. We thoroughly examined the problem of partitioning the Love number k 2 into elastic and inelastic components. The information necessary to construct models of the planet (observation data, choice of a chemical model, and the cosmogonic aspect of the problem) are discussed in the introduction. The model of the planet comprises four submodels—a model of the outer porous layer, a model of the consolidated crust, a model of the silicate mantle, and a core model. We estimated the possible content of hydrogen in the core of Mars. The following parameters were varied while constructing the models: the ferric number of the mantle (Fe#) and the sulfur and hydrogen content in the core. We used experimental data concerning the pressure and temperature dependence of elastic properties of minerals and the information about the behavior of Fe(γ-Fe ), FeS, FeH, and their mixtures at high P and T. The model density, pressure, temperature, and compressional and shear velocities are given as functions of the planetary radius. The trial model M13 has the following parameters: Fe#=0.20; 14 wt % of sulfur in the core; 50 mol % of hydrogen in the core; the core mass is 20.9 wt %; the core radius is 1699 km; the pressure at the mantle-core boundary is 20.4 GPa; the crust thickness is 50 km; Fe is 25.6 wt %; the Fe/Si weight ratio is 1.58, and there is no perovskite layer. The model gives a radius of the Martian core within 1600 1820 km while ≥30 mol % of hydrogen is incorporated into the core. When the inelasticity of the Martian interior is taken into account, the Love number k 2 increases by several thousandths; therefore, the model radius of the planetary core increases as well. The prognostic value of the Chandler period of Mars is 199.5 days, including one day due to inelasticity. Finally, we calculated parameters of the equilibrium figure of Mars for the M13 model: J
Georgakaki, Irene P; Miller, Matthew L; Darensbourg, Marcetta Y
2003-04-21
Hydrogen uptake in hydrogenase enzymes can be assayed by H/D exchange reactivity in H(2)/D(2)O or H(2)/D(2)/H(2)O mixtures. Diiron(I) complexes that serve as structural models for the active site of iron hydrogenase are not active in such isotope scrambling but serve as precursors to Fe(II)Fe(II) complexes that are functional models of [Fe]H(2)ase. Using the same experimental protocol as used previously for ((mu-H)(mu-pdt)[Fe(CO)(2)(PMe(3))](2)(+)), 1-H(+) (Zhao et al. J. Am. Chem. Soc. 2001, 123, 9710), we now report the results of studies of ((mu-SMe)(mu-pdt)[Fe(CO)(2)(PMe(3))](2)(+)), 1-SMe(+), toward H/D exchange. The 1-SMe(+) complex can take up H(2) and catalyze the H/D exchange reaction in D(2)/H(2)O mixtures under photolytic, CO-loss conditions. Unlike 1-H(+), it does not catalyze H(2)/D(2) scrambling under anhydrous conditions. The molecular structure of 1-SMe(+) involves an elongated Fe.Fe separation, 3.11 A, relative to 2.58 A in 1-H(+). It is proposed that the strong SMe(-) bridging ligand results in catalytic activity localized on a single Fe(II) center, a scenario that is also a prominent possibility for the enzyme active site. The single requirement is an open site on Fe(II) available for binding of D(2) (or H(2)), followed by deprotonation by the external base H(2)O (or D(2)O).
Biosorption of Fe(II) and Mn(II) Ions from Aqueous Solution by Rice Husk Ash
Zhao, Jiaying; Jiang, Zhao; Shan, Dexin; Lu, Yan
2014-01-01
Rice husk ash (RHA), an agricultural waste, was used as biosorbent for the removal of Iron(II) and Manganese(II) ions from aqueous solutions. The structural and morphological characteristics of RHA and its elemental compositions before and after adsorption of Fe(II) and Mn(II) were determined by scanning electron microscopic (SEM) and X-ray fluorescence (XRF) analyses. Batch experiments were carried out to determine the influence of initial pH, contact time, adsorbent dosage, and initial concentration on the removal of Fe(II) and Mn(II) ions. Langmuir, Freundlich, and Dubinin-Radushkevich (D-R) models were applied to describe the biosorption isotherm of the metal ions by RHA. The correlation coefficient (R 2) of Langmuir and Freundlich isotherm models equals 0.995 and 0.901 for Fe(II), 0.9862 and 0.8924 for Mn(II), respectively, so the Langmuir model fitted the equilibrium data better than the Freundlich isotherm model. The mean free energy values evaluated from the D-R model indicated that the biosorption of Fe(II) and Mn(II) onto RHA was physical in nature. Experimental data also showed that the biosorption processes of both metal ions complied with the pseudo-second-order kinetics. PMID:24982918
Analysis of the Glass-Forming Ability of Fe-Er Alloys, Based on Thermodynamic Modeling
NASA Astrophysics Data System (ADS)
Arutyunyan, N. A.; Zaitsev, A. I.; Dunaev, S. F.; Kalmykov, K. B.; El'nyakov, D. D.; Shaposhnikov, N. G.
2018-05-01
The Fe-Er phase diagram and thermodynamic properties of all its phases are assessed by means of self-consistent analysis. To refine the data on phase equilibria in the Fe-Er system, an investigation is performed in the 10-40 at % range of Er concentrations. The temperature-concentration dependences of the thermodynamic properties of a melt are presented using the model of ideal associated solutions. Thermodynamic parameters of each phase are obtained, and the calculated results are in agreement with available experimental data. The correlation between the thermodynamic properties of liquid Fe-Er alloys and their tendency toward amorphization are studied. It is shown that compositions of amorphous alloys prepared by melt quenching coincide with the ranges of concentration with the predominance of Fe3Er and FeEr2 associative groups that have large negative entropies of formation.
Kinetics and Equilibrium of Fe3+ Ions Adsorption on Carbon Nanofibers
NASA Astrophysics Data System (ADS)
Alimin; Agusu, La; Ahmad, L. O.; Kadidae, L. O.; Ramadhan, L.; Nurdin, M.; Isdayanti, N.; Asria; Aprilia M, P.; Hasrudin
2018-05-01
Generally, the interaction between metal ions and adsorbent is governed by many factors including; concentration of metal ions, interaction time and solution pH. In this work, we applied liquid phase adsorption for studying the interaction between Fe3+ ions and Carbon Nanofibers (CNFs) irradiated by ultrasonic waves. Kinetics and isotherms model of the Fe3+ ion adsorption was investigated by varying contact time and pH. We found that the Fe3+ ions were efficiently adsorbed on CNFs for 0.5 h in acidic pH of around 5. In order to obtain the best-fitted isotherms model, Langmuir and Freundlich’s isotherms were used in this work. The adsorption equilibrium Fe3+ metal ions on CNFs tend to follow Langmuir. Adsorption kinetics of Fe3+ ions on CNFs were investigated by using both pseudo-first and pseudo-second orders. The adsorption kinetics coincided well with the pseudo-second-order.
Lavrentiev, M Yu; Mergia, K; Gjoka, M; Nguyen-Manh, D; Apostolopoulos, G; Dudarev, S L
2012-08-15
We present a combined experimental and computational study of high temperature magnetic properties of Fe-Cr alloys with chromium content up to about 20 at.%. The magnetic cluster expansion method is applied to model the magnetic properties of random Fe-Cr alloys, and in particular the Curie transition temperature, as a function of alloy composition. We find that at low (3-6 at.%) Cr content the Curie temperature increases with the increase of Cr concentration. It is maximum at approximately 6 at.% Cr and then decreases for higher Cr content. The same feature is found in thermo-magnetic measurements performed on model Fe-Cr alloys, where a 5 at.% Cr alloy has a higher Curie temperature than pure Fe. The Curie temperatures of 10 and 15 at.% Cr alloys are found to be lower than the Curie temperature of pure Fe.
Hsu, Yu-Chun; Gung, Yih-Wen; Shih, Shih-Liang; Feng, Chi-Kuang; Wei, Shun-Hwa; Yu, Chung-Huang; Chen, Chen-Sheng
2008-08-01
Plantar heel pain is a commonly encountered orthopedic problem and is most often caused by plantar fasciitis. In recent years, different shapes of insole have been used to treat plantar fasciitis. However, little research has been focused on the junction stress between the plantar fascia and the calcaneus when wearing different shapes of insole. Therefore, this study aimed to employ a finite element (FE) method to investigate the relationship between different shapes of insole and the junction stress, and accordingly design an optimal insole to lower fascia stress.A detailed 3D foot FE model was created using ANSYS 9.0 software. The FE model calculation was compared to the Pedar device measurements to validate the FE model. After the FE model validation, this study conducted parametric analysis of six different insoles and used optimization analysis to determine the optimal insole which minimized the junction stress between plantar fascia and calcaneus. This FE analysis found that the plantar fascia stress and peak pressure when using the optimal insole were lower by 14% and 38.9%, respectively, than those when using the flat insole. In addition, the stress variation in plantar fascia was associated with the different shapes of insole.
S-values calculated from a tomographic head/brain model for brain imaging
NASA Astrophysics Data System (ADS)
Chao, Tsi-chian; Xu, X. George
2004-11-01
A tomographic head/brain model was developed from the Visible Human images and used to calculate S-values for brain imaging procedures. This model contains 15 segmented sub-regions including caudate nucleus, cerebellum, cerebral cortex, cerebral white matter, corpus callosum, eyes, lateral ventricles, lenses, lentiform nucleus, optic chiasma, optic nerve, pons and middle cerebellar peduncle, skull CSF, thalamus and thyroid. S-values for C-11, O-15, F-18, Tc-99m and I-123 have been calculated using this model and a Monte Carlo code, EGS4. Comparison of the calculated S-values with those calculated from the MIRD (1999) stylized head/brain model shows significant differences. In many cases, the stylized head/brain model resulted in smaller S-values (as much as 88%), suggesting that the doses to a specific patient similar to the Visible Man could have been underestimated using the existing clinical dosimetry.
A finite element model of the foot and ankle for automotive impact applications.
Shin, Jaeho; Yue, Neng; Untaroiu, Costin D
2012-12-01
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.
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.
Development and validation of age-dependent FE human models of a mid-sized male thorax.
El-Jawahri, Raed E; Laituri, Tony R; Ruan, Jesse S; Rouhana, Stephen W; Barbat, Saeed D
2010-11-01
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.
Han, Rui; Geng, Chengkui; Wang, Yongnian; Wei, Lei
2008-01-01
The objective of this research was to induce a new animal model of osteonecrosis of the femoral head (ONFH) by microwave heating and then repair with tissue engineered bone. The bilateral femoral heads of 84 rabbits were heated by microwave at various temperatures. Tissue engineered bone was used to repair the osteonecrosis of femoral heads induced by microwave heating. The roentgenographic and histological examinations were used to evaluate the results. The femoral heads heated at 55°C for ten minutes showed low density and cystic changes in X-ray photographs, osteonecrosis and repair occurred simultaneously in histology at four and eight weeks, and 69% femoral heads collapsed at 12 weeks. The ability of tissue engineered bone to repair the osteonecrosis was close to that of cancellous bone autograft. The new animal model of ONFH could be induced by microwave heating, and the tissue engineering technique will provide an effective treatment. PMID:18956184
The role of passive avian head stabilization in flapping flight
Pete, Ashley E.; Kress, Daniel; Dimitrov, Marina A.; Lentink, David
2015-01-01
Birds improve vision by stabilizing head position relative to their surroundings, while their body is forced up and down during flapping flight. Stabilization is facilitated by compensatory motion of the sophisticated avian head–neck system. While relative head motion has been studied in stationary and walking birds, little is known about how birds accomplish head stabilization during flapping flight. To unravel this, we approximate the avian neck with a linear mass–spring–damper system for vertical displacements, analogous to proven head stabilization models for walking humans. We corroborate the model's dimensionless natural frequency and damping ratios from high-speed video recordings of whooper swans (Cygnus cygnus) flying over a lake. The data show that flap-induced body oscillations can be passively attenuated through the neck. We find that the passive model robustly attenuates large body oscillations, even in response to head mass and gust perturbations. Our proof of principle shows that bird-inspired drones with flapping wings could record better images with a swan-inspired passive camera suspension. PMID:26311316
Gahan, Chandra Sekhar; Sundkvist, Jan-Eric; Dopson, Mark; Sandström, Ake
2010-06-15
Biomining is the use of microorganisms to catalyze metal extraction from sulfide ores. However, the available water in some biomining environments has high chloride concentrations and therefore, chloride toxicity to ferrous oxidizing microorganisms has been investigated. Batch biooxidation of Fe(2+) by a Leptospirillum ferriphilum-dominated culture was completely inhibited by 12 g L(-1) chloride. In addition, the effects of chloride on oxidation kinetics in a Fe(2+) limited chemostat were studied. Results from the chemostat modeling suggest that the chloride toxicity was attributed to affects on the Fe(2+) oxidation system, pH homeostasis, and lowering of the proton motive force. Modeling showed a decrease in the maximum specific growth rate (micro(max)) and an increase in the substrate constant (K(s)) with increasing chloride concentrations, indicating an effect on the Fe(2+) oxidation system. The model proposes a lowered maintenance activity when the media was fed with 2-3 g L(-1) chloride with a concomitant drastic decrease in the true yield (Y(true)). This model helps to understand the influence of chloride on Fe(2+) biooxidation kinetics. 2010 Wiley Periodicals, Inc.
An investigation of FeCrAl cladding behavior under normal operating and loss of coolant conditions
Gamble, Kyle A.; Barani, Tommaso; Pizzocri, David; ...
2017-04-30
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
Atomic structures of B20 FeGe thin films grown on the Si(111) surface
NASA Astrophysics Data System (ADS)
Kim, Wondong; Noh, Seungkyun; Yoon, Jisoo; Kim, Young Heon; Lee, Inho; Kim, Jae-Sung; Hwang, Chanyong
We investigated the growth and atomic structures of FeGe thin films on the Si (111) surface by using scanning tunneling microscopy (STM) and transmission electron microscopy (TEM). The 2 5nm- thick FeGe thin films were prepared on the clean Si(111) 7x7 surface by co-deposition of Fe and Ge from separated electron-beam evaporators. With direct deposition on the substrate at the temperature above 550 K, the surface of FeGe films was not smooth and consisted of coarse grains. By the combination of room-temperature annealing and post-annealing process around 800 K, the structure of FeGe thin films evolved into the well crystalized structures. Atom-resolved STM images revealed that there are at least four different surface terminations. We constructed atomic models for each surface terminations based on the bulk atomic arrangement of a B20 chiral structure and confirmed that the observed STM images are successfully reproduced by using computational simulations employing Vienna Ab Initio Simulation package (VASP) with a B20 chiral structure model. TEM cross-sectional images also support our atomic models by revealing clearly the characteristic zigzag features of B20 structures of FeGe(111) thin films.
An investigation of FeCrAl cladding behavior under normal operating and loss of coolant conditions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gamble, Kyle A.; Barani, Tommaso; Pizzocri, David
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
Huang, Yu; Parra, Lucas C; Haufe, Stefan
2016-10-15
In source localization of electroencephalograpic (EEG) signals, as well as in targeted transcranial electric current stimulation (tES), a volume conductor model is required to describe the flow of electric currents in the head. Boundary element models (BEM) can be readily computed to represent major tissue compartments, but cannot encode detailed anatomical information within compartments. Finite element models (FEM) can capture more tissue types and intricate anatomical structures, but with the higher precision also comes the need for semi-automated segmentation, and a higher computational cost. In either case, adjusting to the individual human anatomy requires costly magnetic resonance imaging (MRI), and thus head modeling is often based on the anatomy of an 'arbitrary' individual (e.g. Colin27). Additionally, existing reference models for the human head often do not include the cerebro-spinal fluid (CSF), and their field of view excludes portions of the head and neck-two factors that demonstrably affect current-flow patterns. Here we present a highly detailed FEM, which we call ICBM-NY, or "New York Head". It is based on the ICBM152 anatomical template (a non-linear average of the MRI of 152 adult human brains) defined in MNI coordinates, for which we extended the field of view to the neck and performed a detailed segmentation of six tissue types (scalp, skull, CSF, gray matter, white matter, air cavities) at 0.5mm(3) resolution. The model was solved for 231 electrode locations. To evaluate its performance, additional FEMs and BEMs were constructed for four individual subjects. Each of the four individual FEMs (regarded as the 'ground truth') is compared to its BEM counterpart, the ICBM-NY, a BEM of the ICBM anatomy, an 'individualized' BEM of the ICBM anatomy warped to the individual head surface, and FEMs of the other individuals. Performance is measured in terms of EEG source localization and tES targeting errors. Results show that the ICBM-NY outperforms FEMs of mismatched individual anatomies as well as the BEM of the ICBM anatomy according to both criteria. We therefore propose the New York Head as a new standard head model to be used in future EEG and tES studies whenever an individual MRI is not available. We release all model data online at neuralengr.com/nyhead/ to facilitate broad adoption. Published by Elsevier Inc.
Characterizing the Elastic Behaviour of a Press Table through Topology Optimization
NASA Astrophysics Data System (ADS)
Pilthammar, J.; Sigvant, M.; Hansson, M.; Pálsson, E.; Rutgersson, W.
2017-09-01
Sheet metal forming in the car industry is a highly competitive area. The use of digital techniques and numerical methods are therefore of high interest for reduced costs and lead times. One method for reducing the try-out phase is virtual rework of die surfaces. The virtual rework is based on Finite Element (FE) simulations and can reduce and support manual rework. The elastic behaviour of dies and presses must be represented in a reliable way in FE-models to be able to perform virtual rework. CAD-models exists for nearly all dies today, but not for press lines. A full geometrical representation of presses will also yield very large FE- models. This paper will discuss and demonstrate a strategy for measuring and characterizing a press table for inclusion in FE-models. The measurements of the elastic press deformations is carried out with force transducers and an ARAMIS 3D optical measurement system. The press table is then inverse modelled by topology optimization using the recorded results as boundary conditions. Finally, the press table is coupled with a FE-model of a die to demonstrate its influence on the deformations. This indicates the importance of having a reliable representation of the press deformations during virtual rework.
Global Modeling Study of the Bioavailable Atmospheric Iron Supply to the Global Ocean
NASA Astrophysics Data System (ADS)
Myriokefalitakis, S.; Krol, M. C.; van Noije, T.; Le Sager, P.
2017-12-01
Atmospheric deposition of trace constituents acts as a nutrient source to the open ocean and affect marine ecosystem. Dust is known as a major source of nutrients to the global ocean, but only a fraction of these nutrients is released in a bioavailable form that can be assimilated by the marine biota. Iron (Fe) is a key micronutrient that significantly modulates gross primary production in the High-Nutrient-Low-Chlorophyll (HNLC) oceans, where macronutrients like nitrate are abundant, but primary production is limited by Fe scarcity. The global atmospheric Fe cycle is here parameterized in the state-of-the-art global Earth System Model EC-Earth. The model takes into account the primary emissions of both insoluble and soluble Fe forms, associated with mineral dust and combustion aerosols. The impact of atmospheric acidity and organic ligands on mineral dissolution processes, is parameterized based on updated experimental and theoretical findings. Model results are also evaluated against available observations. Overall, the link between the labile Fe atmospheric deposition and atmospheric composition changes is here demonstrated and quantified. This work has been financed by the Marie-Curie H2020-MSCA-IF-2015 grant (ID 705652) ODEON (Online DEposition over OceaNs; modeling the effect of air pollution on ocean bio-geochemistry in an Earth System Model).
Tao, Min; Pelletier, David L
2009-10-01
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.
Mao, Wenbin; Li, Kewei; Sun, Wei
2016-01-01
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
Mao, Wenbin; Li, Kewei; Sun, Wei
2016-12-01
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.
ERIC Educational Resources Information Center
Zhao, Huafang; Modarresi, Shahpar
2013-01-01
This brief describes the impact of the Montgomery County (Maryland) Public Schools (MCPS) 2007-2008 full-day Head Start prekindergarten (pre-K) class model on student academic performance, cognitive skills, and learning behaviors by the end of Grade 2. This is the fourth impact study of the MCPS full-day Head Start pre-K class model. The following…
Zhang, Xiaoyan; Kim, Daeseung; Shen, Shunyao; Yuan, Peng; Liu, Siting; Tang, Zhen; Zhang, Guangming; Zhou, Xiaobo; Gateno, Jaime
2017-01-01
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
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
2018-04-01
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.
Planert, Michael
2007-01-01
The Suwannee River Basin covers a total of nearly 9,950 square miles in north-central Florida and southern Georgia. In Florida, the Suwannee River Basin accounts for 4,250 square miles of north-central Florida. Evaluating the impacts of increased development in the Suwannee River Basin requires a quantitative understanding of the boundary conditions, hydrogeologic framework and hydraulic properties of the Floridan aquifer system, and the dynamics of water exchanges between the Suwannee River and its tributaries and the Floridan aquifer system. Major rivers within the Suwannee River Basin are the Suwannee, Santa Fe, Alapaha, and Withlacoochee. Four rivers west of the Suwannee River are the Aucilla, the Econfina, the Fenholloway, and the Steinhatchee; all drain to the Gulf of Mexico. Perhaps the most notable aspect of the surface-water hydrology of the study area is that large areas east of the Suwannee River are devoid of channelized, surface drainage; consequently, most of the drainage occurs through the subsurface. The ground-water flow system underlying the study area plays a critical role in the overall hydrology of this region of Florida because of the dominance of subsurface drain-age, and because ground-water flow sustains the flow of the rivers and springs. Three principal hydrogeologic units are present in the study area: the surficial aquifer system, the intermediate aquifer system, and the Floridan aquifer system. The surficial aquifer system principally consists of unconsoli-dated to poorly indurated siliciclastic deposits. The intermediate aquifer system, which contains the intermediate confining unit, lies below the surficial aquifer system (where present), and generally consists of fine-grained, uncon-solidated deposits of quartz sand, silt, and clay with interbedded limestone of Miocene age. Regionally, the intermediate aquifer system and intermediate con-fining unit act as a confining unit that restricts the exchange of water between the over-lying surficial and underlying Upper Floridan aquifers. The Upper Floridan aquifer is present throughout the study area and is extremely permeable and typically capable of transmitting large volumes of water. This high permeability largely is due to the widening of fractures and formation of conduits within the aquifer through dissolu-tion of the limestone by infiltrating water. This process has also produced numerous karst features such as springs, sinking streams, and sinkholes. A model of the Upper Floridan aquifer was created to better understand the ground-water system and to provide resource managers a tool to evaluate ground-water and surface-water interactions in the Suwannee River Basin. The model was developed to simulate a single Upper Floridan aquifer layer. Recharge datasets were developed to represent a net flux of water to the top of the aquifer or the water table during a period when the system was assumed to be under steady-state conditions (September 1990). A potentiometric-surface map representing water levels during September 1990 was prepared for the Suwannee River Water Management District (SRWMD), and the heads from those wells were used for calibration of the model. Additionally, flows at gaging sites for the Suwannee, Alapaha, Withlacoochee, Santa Fe, Fenholloway, Aucilla, Ecofina, and Steinhatchee Rivers were used during the calibration process to compare to model computed flows. Flows at seven first-magnitude springs selected by the SRWMD also were used to calibrate the model. Calibration criterion for matching potentiometric heads was to attain an absolute residual mean error of 5 percent or less of the head gradient of the system which would be about 5 feet. An absolute residual mean error of 4.79 feet was attained for final calibration. Calibration criterion for matching streamflow was based on the quality of measurements made in the field. All measurements used were rated ?good,? so the desire was for simulated values to be wi
Lopin, Kyle V; Gray, I Patrick; Obejero-Paz, Carlos A; Thévenod, Frank; Jones, Stephen W
2012-12-01
Iron is a biologically essential metal, but excess iron can cause damage to the cardiovascular and nervous systems. We examined the effects of extracellular Fe²⁺ on permeation and gating of Ca(V)3.1 channels stably transfected in HEK293 cells, by using whole-cell recording. Precautions were taken to maintain iron in the Fe²⁺ state (e.g., use of extracellular ascorbate). With the use of instantaneous I-V currents (measured after strong depolarization) to isolate the effects on permeation, extracellular Fe²⁺ rapidly blocked currents with 2 mM extracellular Ca²⁺ in a voltage-dependent manner, as described by a Woodhull model with K(D) = 2.5 mM at 0 mV and apparent electrical distance δ = 0.17. Extracellular Fe²⁺ also shifted activation to more-depolarized voltages (by ∼10 mV with 1.8 mM extracellular Fe²⁺) somewhat more strongly than did extracellular Ca²⁺ or Mg²⁺, which is consistent with a Gouy-Chapman-Stern model with surface charge density σ = 1 e(-)/98 Ų and K(Fe) = 4.5 M⁻¹ for extracellular Fe²⁺. In the absence of extracellular Ca²⁺ (and with extracellular Na⁺ replaced by TEA), Fe²⁺ carried detectable, whole-cell, inward currents at millimolar concentrations (73 ± 7 pA at -60 mV with 10 mM extracellular Fe²⁺). With a two-site/three-barrier Eyring model for permeation of Ca(V)3.1 channels, we estimated a transport rate for Fe²⁺ of ∼20 ions/s for each open channel at -60 mV and pH 7.2, with 1 μM extracellular Fe²⁺ (with 2 mM extracellular Ca²⁺). Because Ca(V)3.1 channels exhibit a significant "window current" at that voltage (open probability, ∼1%), Ca(V)3.1 channels represent a likely pathway for Fe²⁺ entry into cells with clinically relevant concentrations of extracellular Fe²⁺.
Assessment of mechanical properties of human head tissues for trauma modelling.
Lozano-Mínguez, Estívaliz; Palomar, Marta; Infante-García, Diego; Rupérez, María José; Giner, Eugenio
2018-05-01
Many discrepancies are found in the literature regarding the damage and constitutive models for head tissues as well as the values of the constants involved in the constitutive equations. Their proper definition is required for consistent numerical model performance when predicting human head behaviour, and hence skull fracture and brain damage. The objective of this research is to perform a critical review of constitutive models and damage indicators describing human head tissue response under impact loading. A 3D finite element human head model has been generated by using computed tomography images, which has been validated through the comparison to experimental data in the literature. The threshold values of the skull and the scalp that lead to fracture have been analysed. We conclude that (1) compact bone properties are critical in skull fracture, (2) the elastic constants of the cerebrospinal fluid affect the intracranial pressure distribution, and (3) the consideration of brain tissue as a nearly incompressible solid with a high (but not complete) water content offers pressure responses consistent with the experimental data. Copyright © 2018 John Wiley & Sons, Ltd.
NASA Astrophysics Data System (ADS)
Scarella, Gilles; Clatz, Olivier; Lanteri, Stéphane; Beaume, Grégory; Oudot, Steve; Pons, Jean-Philippe; Piperno, Sergo; Joly, Patrick; Wiart, Joe
2006-06-01
The ever-rising diffusion of cellular phones has brought about an increased concern for the possible consequences of electromagnetic radiation on human health. Possible thermal effects have been investigated, via experimentation or simulation, by several research projects in the last decade. Concerning numerical modeling, the power absorption in a user's head is generally computed using discretized models built from clinical MRI data. The vast majority of such numerical studies have been conducted using Finite Differences Time Domain methods, although strong limitations of their accuracy are due to heterogeneity, poor definition of the detailed structures of head tissues (staircasing effects), etc. In order to propose numerical modeling using Finite Element or Discontinuous Galerkin Time Domain methods, reliable automated tools for the unstructured discretization of human heads are also needed. Results presented in this article aim at filling the gap between human head MRI images and the accurate numerical modeling of wave propagation in biological tissues and its thermal effects. To cite this article: G. Scarella et al., C. R. Physique 7 (2006).
Head Transplantation in Mouse Model.
Ren, Xiao-Ping; Ye, Yi-Jie; Li, Peng-Wei; Shen, Zi-Long; Han, Ke-Cheng; Song, Yang
2015-08-01
The mouse model of allo-head and body reconstruction (AHBR) has recently been established to further the clinical development of this strategy for patients who are suffering from mortal bodily trauma or disease, yet whose mind remains healthy. Animal model studies are indispensable for developing such novel surgical practices. The goal of this work was to establish head transplant mouse model, then the next step through the feasible biological model to investigate immune rejection and brain function in next step, thereby promoting the goal of translation of AHBR to the clinic in the future. Our approach involves retaining adequate blood perfusion in the transplanted head throughout the surgical procedure by establishing donor-to-recipient cross-circulation by cannulating and anastomosing the carotid artery on one side of the body and the jugular vein on the other side. Neurological function was preserved by this strategy as indicated by electroencephalogram and intact cranial nerve reflexes. The results of this study support the feasibility of this method for avoiding brain ischemia during transplantation, thereby allowing for the possibility of long-term studies of head transplantation. © 2015 John Wiley & Sons Ltd.
Calibration of 3D ALE finite element model from experiments on friction stir welding of lap joints
NASA Astrophysics Data System (ADS)
Fourment, Lionel; Gastebois, Sabrina; Dubourg, Laurent
2016-10-01
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.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Benyamin, David; Piran, Tsvi; Shaviv, Nir J.
The boron to carbon (B/C) and sub-Fe/Fe ratios provide an important clue on cosmic ray (CR) propagation within the Galaxy. These ratios estimate the grammage that the CRs traverse as they propagate from their sources to Earth. Attempts to explain these ratios within the standard CR propagation models require ad hoc modifications and even with those these models necessitate inconsistent grammages to explain both ratios. As an alternative, physically motivated model, we have proposed that CRs originate preferably within the galactic spiral arms. CR propagation from dynamic spiral arms has important imprints on various secondary to primary ratios, such asmore » the B/C ratio and the positron fraction. We use our spiral-arm diffusion model with the spallation network extended up to nickel to calculate the sub-Fe/Fe ratio. We show that without any additional parameters the spiral-arm model consistently explains both ratios with the same grammage, providing further evidence in favor of this model.« less
Park, Hyun Soon; Hirata, Kei; Yanagisawa, Keiichi; Ishida, Yoichi; Matsuda, Tsuyoshi; Shindo, Daisuke; Tonomura, Akira
2012-12-07
Nanostructured magnetic materials play an important role in increasing miniaturized devices. For the studies of their magnetic properties and behaviors, nanoscale imaging of magnetic field is indispensible. Here, using electron holography, the magnetization distribution of a TMR spin valve head of commercial design is investigated without and with a magnetic field applied. Characterized is the magnetic flux distribution in complex hetero-nanostructures by averaging the phase images and separating their component magnetic vectors and electric potentials. The magnetic flux densities of the NiFe (shield and 5 nm-free layers) and the CoPt (20 nm-bias layer) are estimated to be 1.0 T and 0.9 T, respectively. The changes in the magnetization distribution of the shield, bias, and free layers are visualized in situ for an applied field of 14 kOe. This study demonstrates the promise of electron holography for characterizing the magnetic properties of hetero-interfaces, nanostructures, and catalysts. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Atomic-Scale Mechanisms of Defect-Induced Retention Failure in Ferroelectrics.
Li, Linze; Zhang, Yi; Xie, Lin; Jokisaari, Jacob R; Beekman, Christianne; Yang, Jan-Chi; Chu, Ying-Hao; Christen, Hans M; Pan, Xiaoqing
2017-06-14
The ability to switch the ferroelectric polarization using an electric field makes ferroelectrics attractive for application in nanodevices such as high-density memories. One of the major challenges impeding this application, however, has been known as "retention failure", which is a spontaneous process of polarization back-switching that can lead to data loss. This process is generally thought to be caused by the domain instability arising from interface boundary conditions and countered by defects, which can pin the domain wall and impede the back-switching. Here, using in situ transmission electron microscopy and atomic-scale scanning transmission electron microscopy, we show that the polarization retention failure can be induced by commonly observed nanoscale impurity defects in BiFeO 3 thin films. The interaction between polarization and the defects can also lead to the stabilization of novel functional nanodomains with mixed-phase structures and head-to-head polarization configurations. Thus, defect engineering provides a new route for tuning properties of ferroelectric nanosystems.
The Azotobacter vinelandii NifEN complex contains two identical [4Fe-4S] clusters.
Goodwin, P J; Agar, J N; Roll, J T; Roberts, G P; Johnson, M K; Dean, D R
1998-07-21
The nifE and nifN gene products from Azotobacter vinelandii form an alpha2beta2 tetramer (NifEN complex) that is required for the biosynthesis of the nitrogenase FeMo cofactor. In the current model for NifEN complex organization and function, the complex is structurally analogous to the nitrogenase MoFe protein and provides an assembly site for a portion of FeMo cofactor biosynthesis. In this work, gene fusion and immobilized metal-affinity chromatography strategies were used to elevate the in vivo production of the NifEN complex and to facilitate its rapid and efficient purification. The NifEN complex produced and purified in this way exhibits an FeMo cofactor biosynthetic activity similar to that previously described for the NifEN complex purified by traditional chromatography methods. UV-visible, EPR, variable-temperature magnetic circular dichroism, and resonance Raman spectroscopies were used to show that the NifEN complex contains two identical [4Fe-4S]2+ clusters. These clusters have a predominantly S = 1/2 ground state in the reduced form, exhibit a reduction potential of -350 mV, and are likely to be coordinated entirely by cysteinyl residues on the basis of spectroscopic properties and sequence comparisons. A model is proposed where each NifEN complex [4Fe-4S] cluster is bridged between a NifE-NifN subunit interface at a position analogous to that occupied by the P clusters in the nitrogenase MoFe protein. In contrast to the MoFe protein P clusters, the NifEN complex [4Fe-4S] clusters are proposed to be asymmetrically coordinated to the NifEN complex where NifE cysteines-37, -62, and -124 and NifN cysteine-44 are the coordinating ligands. On the basis of a homology model of the three-dimensional structure of the NifEN complex, the [4Fe-4S] cluster sites are likely to be remote from the proposed FeMo cofactor assembly site and are unlikely to become incorporated into the FeMo cofactor during its assembly.
Gao, Shang; Fan, Jiangli; Sun, Shiguo; Song, Fengling; Peng, Xiaojun; Duan, Qian; Jiang, Dayong; Liang, Qingcheng
2012-10-21
Di/mono-nuclear iron(I)/(II) complexes containing conjugated and electron-withdrawing S-to-S linkers, [{(μ-S)(2)(C(4)N(2)H(2))}Fe(2)(CO)(6)] (1), [{(μ-S)(2)(C(4)N(2)H(2))}Fe(2)(CO)(5)(PMe(3))] (1P), and [{(μ-S)(2)(C(4)N(2)H(2))}Fe(CO)(2)(PMe(3))(2)] (2) were prepared as biomimetic models for the 2Fe2S subunit and distal Fe moiety of the active site of [FeFe] hydrogenases. The N atoms in the heterocyclic pyrazines of 1 and 2 were protonated in the presence of proton acid to generate one and two hydrides, [1(NH)](+) CF(3)SO(3)(-), [2(NH)](+) CF(3)SO(3)(-), and [2(NH)(2)](2+) (CF(3)SO(3)(-))(2), respectively. The protonation processes were evidenced by in situ IR and NMR spectroscopy. The molecular structures of the protonated species [1(NH)](+) CF(3)SO(3)(-) and [2(NH)(2)](2+) (CF(3)SO(3)(-))(2) together with their originating complexes and , and the mono-PMe(3) substituted diiron complex were identified by X-ray crystallography. The IR and single-crystal analysis data all suggested that the electron-withdrawing bridge, pyrazine, led to decreased electron density at the Fe centers of the model complexes, which was consistent with the electrochemical studies. The cyclic voltammograms indicated that complex exhibited a low primary reduction potential at -1.17 V vs. Fc-Fc(+) with a 270 mV positive shift compared with that of the benzene-1,2-dithiolate (bdt) bridged analogue [(μ-bdt)Fe(2)(CO)(6)]. Under the weak acid conditions, complexes 1 and 2 could electrochemically catalyze the proton reduction. More interestingly, the mononuclear ferrous complex 2 showed two catalytic peaks during the formation of hydrogen, confirming its potential as a catalyst for hydrogen production.
Enzymatic versus nonenzymatic mechanisms for Fe(III) reduction in aquatic sediments
Lovley, D.R.; Phillips, E.J.P.; Lonergan, D.J.
1991-01-01
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.
NASA Technical Reports Server (NTRS)
Perrone, John A.; Stone, Leland S.
1997-01-01
We have previously proposed a computational neural-network model by which the complex patterns of retinal image motion generated during locomotion (optic flow) can be processed by specialized detectors acting as templates for specific instances of self-motion. The detectors in this template model respond to global optic flow by sampling image motion over a large portion of the visual field through networks of local motion sensors with properties similar to neurons found in the middle temporal (MT) area of primate extrastriate visual cortex. The model detectors were designed to extract self-translation (heading), self-rotation, as well as the scene layout (relative distances) ahead of a moving observer, and are arranged in cortical-like heading maps to perform this function. Heading estimation from optic flow has been postulated by some to be implemented within the medial superior temporal (MST) area. Others have questioned whether MST neurons can fulfill this role because some of their receptive-field properties appear inconsistent with a role in heading estimation. To resolve this issue, we systematically compared MST single-unit responses with the outputs of model detectors under matched stimulus conditions. We found that the basic physiological properties of MST neurons can be explained by the template model. We conclude that MST neurons are well suited to support heading estimation and that the template model provides an explicit set of testable hypotheses which can guide future exploration of MST and adjacent areas within the primate superior temporal sulcus.
ERIC Educational Resources Information Center
Leow, Christine; Wen, Xiaoli; Korfmacher, Jon
2015-01-01
This article compares regression modeling and propensity score analysis as different types of statistical techniques used in addressing selection bias when estimating the impact of two-year versus one-year Head Start on children's school readiness. The analyses were based on the national Head Start secondary dataset. After controlling for…
Of Lice and Math: Using Models to Understand and Control Populations of Head Lice
Laguna, Mara Fabiana; Risau-Gusman, Sebastián
2011-01-01
In this paper we use detailed data about the biology of the head louse (pediculus humanus capitis) to build a model of the evolution of head lice colonies. Using theory and computer simulations, we show that the model can be used to assess the impact of the various strategies usually applied to eradicate head lice, both conscious (treatments) and unconscious (grooming). In the case of treatments, we study the difference in performance that arises when they are applied in systematic and non-systematic ways. Using some reasonable simplifying assumptions (as random mixing of human groups and the same mobility for all life stages of head lice other than eggs) we model the contagion of pediculosis using only one additional parameter. It is shown that this parameter can be tuned to obtain collective infestations whose characteristics are compatible with what is given in the literature on real infestations. We analyze two scenarios: One where group members begin treatment when a similar number of lice are present in each head, and another where there is one individual who starts treatment with a much larger threshold (“superspreader”). For both cases we assess the impact of several collective strategies of treatment. PMID:21799752
Of lice and math: using models to understand and control populations of head lice.
Laguna, María Fabiana; Laguna, Mara Fabiana; Risau-Gusman, Sebastián
2011-01-01
In this paper we use detailed data about the biology of the head louse (pediculus humanus capitis) to build a model of the evolution of head lice colonies. Using theory and computer simulations, we show that the model can be used to assess the impact of the various strategies usually applied to eradicate head lice, both conscious (treatments) and unconscious (grooming). In the case of treatments, we study the difference in performance that arises when they are applied in systematic and non-systematic ways. Using some reasonable simplifying assumptions (as random mixing of human groups and the same mobility for all life stages of head lice other than eggs) we model the contagion of pediculosis using only one additional parameter. It is shown that this parameter can be tuned to obtain collective infestations whose characteristics are compatible with what is given in the literature on real infestations. We analyze two scenarios: One where group members begin treatment when a similar number of lice are present in each head, and another where there is one individual who starts treatment with a much larger threshold ("superspreader"). For both cases we assess the impact of several collective strategies of treatment.
Containerless solidification of BiFeO3 oxide under microgravity
NASA Astrophysics Data System (ADS)
Yu, Jianding; Arai, Yasutomo; Koshikawa, Naokiyo; Ishikawa, Takehito; Yoda, Shinichi
1999-07-01
Containerless solidification of BiFeO3 oxide has been carried out under microgravity with Electrostatic Levitation Furnace (ELF) aboard on the sounding rocket (TR-IA). It is a first containerless experiment using ELF under microgravity for studying the solidification of oxide insulator material. Spherical BiFeO3 sample with diameter of 5mm was heated by two lasers in oxygen and nitrogen mixing atmosphere, and the sample position by electrostatic force under pinpoint model and free drift model. In order to compare the solidification behavior in microgravity with on ground, solidification experiments of BiFeO3 in crucible and drop tube were carried out. In crucible experiment, it was very difficult to get single BiFeO3 phase, because segregation of Fe2O3 occured very fast and easily. In drop tube experiment, fine homogeneous BiFeO3 microstructure was obtained in a droplet about 300 μm. It implies that containerless processing can promote the phase selection in solidification. In microgravity experiment, because the heating temperature was lower than that of estimated, the sample was heated into Fe2O3+liquid phase region. Fe2O3 single crystal grew on the surface of the spherical sample, whose sample was clearly different from that observed in ground experiments.
Isolation and in silico analysis of Fe-superoxide dismutase in the cyanobacterium Nostoc commune.
Kesheri, Minu; Kanchan, Swarna; Richa; Sinha, Rajeshwar P
2014-12-15
Cyanobacteria are known to endure various stress conditions due to the inbuilt potential for oxidative stress alleviation owing to the presence of an array of antioxidants. The present study shows that Antarctic cyanobacterium Nostoc commune possesses two antioxidative enzymes viz., superoxide dismutase (SOD) and catalase that jointly cope with environmental stresses prevailing at its natural habitat. Native-PAGE analysis illustrates the presence of a single prominent isoform recognized as Fe-SOD and three distinct isoforms of catalase. The protein sequence of Fe-SOD in N. commune retrieved from NCBI protein sequence database was used for in silico analysis. 3D structure of N. commune was predicted by comparative modeling using MODELLER 9v11. Further, this model was validated for its quality by Ramachandran plot, ERRAT, Verify 3D and ProSA-web which revealed good structure quality of the model. Multiple sequence alignment showed high conservation in N and C-terminal domain regions along with all metal binding positions in Fe-SOD which were also found to be highly conserved in all 28 cyanobacterial species under study, including N. commune. In silico prediction of isoelectric point and molecular weight of Fe-SOD was found to be 5.48 and 22,342.98Da respectively. The phylogenetic tree revealed that among 28 cyanobacterial species, Fe-SOD in N. commune was the closest evolutionary homolog of Fe-SOD in Nostoc punctiforme as evident by strong bootstrap value. Thus, N. commune may serve as a good biological model for studies related to survival of life under extreme conditions prevailing at the Antarctic region. Moreover cyanobacteria may be exploited for biochemical and biotechnological applications of enzymatic antioxidants. Copyright © 2014 Elsevier B.V. All rights reserved.
Model of heterogeneous material dissolution in simulated biological fluid
NASA Astrophysics Data System (ADS)
Knyazeva, A. G.; Gutmanas, E. Y.
2015-11-01
In orthopedic research, increasing attention is being paid to bioresorbable/biodegradable implants as an alternative to permanent metallic bone healing devices. Biodegradable metal based implants possessing high strength and ductility potentially can be used in load bearing sites. Biodegradable Mg and Fe are ductile and Fe possess high strength, but Mg degrades too fast and Fe degrades too slow, Ag is a noble metal and should cause galvanic corrosion of the more active metallic iron - thus, corrosion of Fe can be increased. Nanostructuring should results in higher strength and can result in higher rate of dissolution/degradation from grain boundaries. In this work, a simple dissolution model of heterogeneous three phase nanocomposite material is considered - two phases being metal Fe and Ag and the third - nanopores. Analytical solution for the model is presented. Calculations demonstrate that the changes in the relative amount of each phase depend on mass exchange and diffusion coefficients. Theoretical results agree with preliminary experimental results.
Shape coexistence in neutron-rich nuclei near N=40
NASA Astrophysics Data System (ADS)
Carpenter, M. P.; Janssens, R. V. F.; Zhu, S.
2013-04-01
Recent data show that both the 2+ and 4+ levels in the even neutron-rich Cr and Fe isotopes decrease in excitation energy toward N=40. This observation, along with Coulomb excitation and lifetime data, strongly indicates an increase in collectivity near N=40 in contradiction with expectations based on first principles. A straightforward two-band mixing model is used to investigate the structure of these neutron-rich Cr and Fe nuclei. The approach takes advantage of the extensive data available for 60Fe to provide the parameter values with which to reproduce the experimental observations in the 58-64Cr and 60-68Fe isotopic chains. Comparisons between the model and the data suggest marked structural differences for the ground-state configurations of N=40 Cr and Fe.
A subsurface Fe-silicate weathering microbiome
NASA Astrophysics Data System (ADS)
Napieralski, S. A.; Buss, H. L.; Roden, E. E.
2017-12-01
Traditional models of microbially mediated weathering of primary Fe-bearing minerals often invoke organic ligands (e.g. siderophores) used for nutrient acquisition. However, it is well known that the oxidation of Fe(II) governs the overall rate of Fe-silicate mineral dissolution. Recent work has demonstrated the ability of lithtrophic iron oxidizing bacteria (FeOB) to grow via the oxidation of structural Fe(II) in biotite as a source of metabolic energy with evidence suggesting a direct enzymatic attack on the mineral surface. This process necessitates the involvement of dedicated outer membrane proteins that interact with insoluble mineral phases in a process known as extracellular electron transfer (EET). To investigate the potential role FeOB in a terrestrial subsurface weathering system, samples were obtained from the bedrock-saprolite interface (785 cm depth) within the Rio Icacos Watershed of the Luquillo Mountains in Puerto Rico. Prior geochemical evidence suggests the flux of Fe(II) from the weathering bedrock supports a robust lithotrophic microbial community at depth. Current work confirms the activity of microorganism in situ, with a marked increase in ATP near the bedrock-saprolite interface. Regolith recovered from the interface was used as inoculum to establish enrichment cultures with powderized Fe(II)-bearing minerals serving as the sole energy source. Monitoring of the Fe(II)/Fe(total) ratio and ATP generation suggests growth of microorganisms coupled to the oxidation of mineral bound Fe(II). Analysis of 16S rRNA gene and shotgun metagenomic libraries from in situ and enrichment culture samples lends further support to FeOB involvement in the weathering process. Multiple metagenomic bins related to known FeOB, including Betaproteobacteria genera, contain homologs to model EET systems, including Cyc2 and MtoAB. Our approach combining geochemistry and metagenomics with ongoing microbiological and genomic characterization of novel isolates obtained from enrichment cultures provides insight into the role of FeOB in Fe(II)-mineral alteration as well as furthering our understanding of the biotic reactions contributing the globally important biogeochemical phenomenon of chemical weathering.
Kreitman, Gal Y; Danilewicz, John C; Jeffery, David W; Elias, Ryan J
2016-05-25
Sulfidic off-odors arising during wine production are frequently removed by Cu(II) fining. In part 1 of this study ( 10.1021/acs.jafc.6b00641 ), the reaction of H2S and thiols with Cu(II) was examined; however, the interaction of iron and copper is also known to play an important synergistic role in mediating non-enzymatic wine oxidation. The interaction of these two metals in the oxidation of H2S and thiols (cysteine, 3-sulfanylhexan-1-ol, and 6-sulfanylhexan-1-ol) was therefore examined under wine-like conditions. H2S and thiols (300 μM) were reacted with Fe(III) (100 or 200 μM) alone and in combination with Cu(II) (25 or 50 μM), and concentrations of H2S and thiols, oxygen, and acetaldehyde were monitored over time. H2S and thiols were shown to be slowly oxidized in the presence of Fe(III) alone and were not bound to Fe(III) under model wine conditions. However, Cu(II) added to model wine containing Fe(III) was quickly reduced by H2S and thiols to form Cu(I) complexes, which then rapidly reduced Fe(III) to Fe(II). Oxidation of Fe(II) in the presence of oxygen regenerated Fe(III) and completed the iron redox cycle. In addition, sulfur-derived oxidation products were observed, and the formation of organic polysulfanes was demonstrated.
The formation of magnetic silicide Fe3Si clusters during ion implantation
NASA Astrophysics Data System (ADS)
Balakirev, N.; Zhikharev, V.; Gumarov, G.
2014-05-01
A simple two-dimensional model of the formation of magnetic silicide Fe3Si clusters during high-dose Fe ion implantation into silicon has been proposed and the cluster growth process has been computer simulated. The model takes into account the interaction between the cluster magnetization and magnetic moments of Fe atoms random walking in the implanted layer. If the clusters are formed in the presence of the external magnetic field parallel to the implanted layer, the model predicts the elongation of the growing cluster in the field direction. It has been proposed that the cluster elongation results in the uniaxial magnetic anisotropy in the plane of the implanted layer, which is observed in iron silicide films ion-beam synthesized in the external magnetic field.