A probability-based approach for assessment of roadway safety hardware.

DOT National Transportation Integrated Search

2017-03-14

This report presents a general probability-based approach for assessment of roadway safety hardware (RSH). It was achieved using a reliability : analysis method and computational techniques. With the development of high-fidelity finite element (FE) m...

Nonlinear finite element model updating for damage identification of civil structures using batch Bayesian estimation

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.

The influence of ligament modelling strategies on the predictive capability of finite element models of the human knee joint.

PubMed

Naghibi Beidokhti, Hamid; Janssen, Dennis; van de Groes, Sebastiaan; Hazrati, Javad; Van den Boogaard, Ton; Verdonschot, Nico

2017-12-08

In finite element (FE) models knee ligaments can represented either by a group of one-dimensional springs, or by three-dimensional continuum elements based on segmentations. Continuum models closer approximate the anatomy, and facilitate ligament wrapping, while spring models are computationally less expensive. The mechanical properties of ligaments can be based on literature, or adjusted specifically for the subject. In the current study we investigated the effect of ligament modelling strategy on the predictive capability of FE models of the human knee joint. The effect of literature-based versus specimen-specific optimized material parameters was evaluated. Experiments were performed on three human cadaver knees, which were modelled in FE models with ligaments represented either using springs, or using continuum representations. In spring representation collateral ligaments were each modelled with three and cruciate ligaments with two single-element bundles. Stiffness parameters and pre-strains were optimized based on laxity tests for both approaches. Validation experiments were conducted to evaluate the outcomes of the FE models. Models (both spring and continuum) with subject-specific properties improved the predicted kinematics and contact outcome parameters. Models incorporating literature-based parameters, and particularly the spring models (with the representations implemented in this study), led to relatively high errors in kinematics and contact pressures. Using a continuum modelling approach resulted in more accurate contact outcome variables than the spring representation with two (cruciate ligaments) and three (collateral ligaments) single-element-bundle representations. However, when the prediction of joint kinematics is of main interest, spring ligament models provide a faster option with acceptable outcome. Copyright © 2017 Elsevier Ltd. All rights reserved.

Three dimensional magnetic fields in extra high speed modified Lundell alternators computed by a combined vector-scalar magnetic potential finite element method

NASA Technical Reports Server (NTRS)

Demerdash, N. A.; Wang, R.; Secunde, R.

1992-01-01

A 3D finite element (FE) approach was developed and implemented for computation of global magnetic fields in a 14.3 kVA modified Lundell alternator. The essence of the new method is the combined use of magnetic vector and scalar potential formulations in 3D FEs. This approach makes it practical, using state of the art supercomputer resources, to globally analyze magnetic fields and operating performances of rotating machines which have truly 3D magnetic flux patterns. The 3D FE-computed fields and machine inductances as well as various machine performance simulations of the 14.3 kVA machine are presented in this paper and its two companion papers.

Refining the chemical composition of the inner core with multicomponent alloys: from first-principles to thermodynamics and seismology

NASA Astrophysics Data System (ADS)

Caracas, R.; Asimow, P. D.; Wolf, A. S.; Harvey, J. P.; Martin, A.; Torrent, M.

2015-12-01

We compute the solubility limits of Si in the hexagonal-close packed (hcp) phase of iron using standard thermodynamical treatment of solid solutions with data obtained from first-principles calculations. For this, we consider the system with end-members hcp Fe and the B2 phase of FeSi. Si and Fe enter both structures in substitution of one another. The system is characterized by an immiscibility gap, which according to our results widens with pressure. At core conditions about 5 wt.% Si can be dissolved into the hcp phase of Fe. Comparatively there is much more Fe that can enter the FeSi B2 phase. In a second step we start with the hcp Fe-Si alloys and add the most probable light elements found in the core: H, C, O, and S. The light elements can enter the hcp structure either as interstitial impurities, in case of H, C, O, or in substitution of Fe, in case of S. We consider several insertion patterns with the light elements both adjacent and far apart. For each of these new phases we compute the elastic constants tensors and the seismic properties. Based on our theoretical results and the comparisons with PREM we discuss in detail the possible composition of the Earth's inner core, we rule out certain light elements, like H, and we show that the distribution pattern is not important. This is also the first time the elastic constants tensor is computed from lattice dynamics using the response function in the Planar Augmented Wavefunction approach of the Density Functional Theory [1]. [1] A. Martin, M. Torrent, R. Caracas, submitted (2015); A. Martin, PhD thesis (2015).

Mechanical behaviour of a fibrous scaffold for ligament tissue engineering: finite elements analysis vs. X-ray tomography imaging.

PubMed

Laurent, Cédric P; Latil, Pierre; Durville, Damien; Rahouadj, Rachid; Geindreau, Christian; Orgéas, Laurent; Ganghoffer, Jean-François

2014-12-01

The use of biodegradable scaffolds seeded with cells in order to regenerate functional tissue-engineered substitutes offers interesting alternative to common medical approaches for ligament repair. Particularly, finite element (FE) method enables the ability to predict and optimise both the macroscopic behaviour of these scaffolds and the local mechanic signals that control the cell activity. In this study, we investigate the ability of a dedicated FE code to predict the geometrical evolution of a new braided and biodegradable polymer scaffold for ligament tissue engineering by comparing scaffold geometries issued from FE simulations and from X-ray tomographic imaging during a tensile test. Moreover, we compare two types of FE simulations the initial geometries of which are issued either from X-ray imaging or from a computed idealised configuration. We report that the dedicated FE simulations from an idealised reference configuration can be reasonably used in the future to predict the global and local mechanical behaviour of the braided scaffold. A valuable and original dialog between the fields of experimental and numerical characterisation of such fibrous media is thus achieved. In the future, this approach should enable to improve accurate characterisation of local and global behaviour of tissue-engineering scaffolds. Copyright © 2014 Elsevier Ltd. All rights reserved.

An eFTD-VP framework for efficiently generating patient-specific anatomically detailed facial soft tissue FE mesh for craniomaxillofacial surgery simulation

PubMed Central

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

An eFTD-VP framework for efficiently generating patient-specific anatomically detailed facial soft tissue FE mesh for craniomaxillofacial surgery simulation.

PubMed

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.

Determination of ferrous and total iron in refractory spinels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Amonette, James E.; Matyas, Josef

2015-12-30

Accurate and precise determination of the redox state of iron (Fe) in spinels presents a significant challenge due to their refractory nature. The resultant extreme conditions needed to obtain complete dissolution generally oxidize some of the Fe(II) initially present and thus prevent the use of colorimetric methods for Fe(II) measurements. To overcome this challenge we developed a hybrid oxidimetric/colorimetric approach, using Ag(I) as the oxidimetric reagent for determination of Fe(II) and 1,10-phenanthroline as the colorimetric reagent for determination of total Fe. This approach, which allows determination of Fe(II) and total Fe on the same sample, was tested on a seriesmore » of four geochemical reference materials and then applied to the analysis of Fe(Ni) spinel crystals isolated from simulated high-level-waste (HLW) glass and of several reagent magnetites. Results for the reference materials were in excellent agreement with published values, with the exception of USGS BIR-1, for which higher Fe(II) values and lower total Fe values were obtained. The Fe(Ni) spinels showed Fe(II) values at the detection limit (ca. 0.05 wt% Fe) and total Fe values slightly higher than obtained by total elemental analysis. For the magnetite samples, total Fe values were in agreement with reference results, but a wide range in Fe(II) values was obtained indicating various degrees of conversion to maghemite.« less

Elastic and Piezoelectric Properties of Boron Nitride Nanotube Composites. Part II; Finite Element Model

NASA Technical Reports Server (NTRS)

Kim, H. Alicia; Hardie, Robert; Yamakov, Vesselin; Park, Cheol

2015-01-01

This paper is the second part of a two-part series where the first part presents a molecular dynamics model of a single Boron Nitride Nanotube (BNNT) and this paper scales up to multiple BNNTs in a polymer matrix. This paper presents finite element (FE) models to investigate the effective elastic and piezoelectric properties of (BNNT) nanocomposites. The nanocomposites studied in this paper are thin films of polymer matrix with aligned co-planar BNNTs. The FE modelling approach provides a computationally efficient way to gain an understanding of the material properties. We examine several FE models to identify the most suitable models and investigate the effective properties with respect to the BNNT volume fraction and the number of nanotube walls. The FE models are constructed to represent aligned and randomly distributed BNNTs in a matrix of resin using 2D and 3D hollow and 3D filled cylinders. The homogenisation approach is employed to determine the overall elastic and piezoelectric constants for a range of volume fractions. These models are compared with an analytical model based on Mori-Tanaka formulation suitable for finite length cylindrical inclusions. The model applies to primarily single-wall BNNTs but is also extended to multi-wall BNNTs, for which preliminary results will be presented. Results from the Part 1 of this series can help to establish a constitutive relationship for input into the finite element model to enable the modeling of multiple BNNTs in a polymer matrix.

Characterisation of sub-micrometre features with the FE-EPMA

NASA Astrophysics Data System (ADS)

McSwiggen, P.

2014-03-01

The goal of this work is to compare two strategies for doing sub-micrometre analyses using the Fe-Ni binary system, as an example. The first approach involves reducing the overvoltage to 1 - 3 kV over the critical ionisation energy of the K X-ray lines. Using such a small overvoltage greatly restricts the size of the analytical volume. Upon entering the sample, the beam electrons quickly lose the additional energy required to excite the X-rays of interest. As a result, the K X-ray line for Fe and Ni will only be produced very near the surface. The second strategy is to use the L-lines for Fe and Ni, and drop the accelerating voltage to a level that will produce the smallest overall interaction volume of the beam electrons. Each strategy has its advantages and disadvantages that depend on the ultimate goal of the analysis and the elements involved. Both methods produce small analytical volumes. However, the L-lines from the transition elements are more problematic because of uncertainties with their mass absorption coefficients. Therefore, using the L-lines in low-kV analyses are more challenging to get good quantitative results. The advantage of using L-lines is that they travel a shorter distance within the sample, and therefore secondary fluorescence becomes less of an issue. The best results will come from a combination of these strategies. Using a multiple kV approach allows the user to select the optimum conditions for each element.

Analysis of cylindrical wrap-around and doubly conformal patch antennas by way of the finite element-artificial absorber method

NASA Technical Reports Server (NTRS)

Volakis, J. L.; Kempel, L. C.; Sliva, R.; Wang, H. T. G.; Woo, A. G.

1994-01-01

The goal of this project was to develop analysis codes for computing the scattering and radiation of antennas on cylindrically and doubly conformal platforms. The finite element-boundary integral (FE-BI) method has been shown to accurately model the scattering and radiation of cavity-backed patch antennas. Unfortunately extension of this rigorous technique to coated or doubly curved platforms is cumbersome and inefficient. An alternative approximate approach is to employ an absorbing boundary condition (ABC) for terminating the finite element mesh thus avoiding use of a Green's function. A FE-ABC method is used to calculate the radar cross section (RCS) and radiation pattern of a cavity-backed patch antenna which is recessed within a metallic surface. It is shown that this approach is accurate for RCS and antenna pattern calculations with an ABC surface displaced as little as 0.3 lambda from the cavity aperture. These patch antennas may have a dielectric overlay which may also be modeled with this technique.

Hot-pressed production and laser properties of ZnSe:Fe2+

NASA Astrophysics Data System (ADS)

Avetisov, R. I.; Balabanov, S. S.; Firsov, K. N.; Gavrishchuk, E. M.; Gladilin, A. A.; Ikonnikov, V. B.; Kalinushkin, V. P.; Kazantsev, S. Yu.; Kononov, I. G.; Zykova, M. P.; Mozhevitina, E. N.; Khomyakov, A. V.; Savin, D. V.; Timofeeva, N. A.; Uvarov, O. V.; Avetissov, I. Ch.

2018-06-01

A new approach for fabrication of laser elements in form of plates based on ZnSe:Fe2+ with undoped faces, combining the advantages of hot pressing and diffusion techniques has been proposed. CVD-ZnSe was used as a host material. 1 μm Fe film was deposited by electron-beam technique on one side of the polished CVD-ZnSe plate (20 mm in diameter and 2 mm in thickness). The elements were stacked in contact by iron surfaces, placed in a hot press-mold die, heated under vacuum to 1000 °C, exposed during 60 min with the application of 25 MPa uniaxial pressure. The iron film was dissolved in ZnSe matrix and elements welded together. The samples were subjected to hot isostatic pressing (HIP) during 29 h at 100 MPa argon pressure and 1300 °C. The influence of sintering and HIP processing conditions on local morphology and properties of the interface of welded elements was studied by SEM, TEM and optical microscopy. For all composite elements the lasing was obtained at a pumping by HF-laser at RT with high efficiency around 40%. The proposed technique removes restrictions on the size of laser elements and appears to be very promising for the management of the distribution profile of the doping component.

On the Highest Oxidation States of Metal Elements in MO4 Molecules (M = Fe, Ru, Os, Hs, Sm, and Pu).

PubMed

Huang, Wei; Xu, Wen-Hua; Schwarz, W H E; Li, Jun

2016-05-02

Metal tetraoxygen molecules (MO4, M = Fe, Ru, Os, Hs, Sm, Pu) of all metal atoms M with eight valence electrons are theoretically studied using density functional and correlated wave function approaches. The heavier d-block elements Ru, Os, Hs are confirmed to form stable tetraoxides of Td symmetry in (1)A1 electronic states with empty metal d(0) valence shell and closed-shell O(2-) ligands, while the 3d-, 4f-, and 5f-elements Fe, Sm, and Pu prefer partial occupation of their valence shells and peroxide or superoxide ligands at lower symmetry structures with various spin couplings. The different geometric and electronic structures and chemical bonding types of the six iso-stoichiometric species are explained in terms of atomic orbital energies and orbital radii. The variations found here contribute to our general understanding of the periodic trends of oxidation states across the periodic table.

Structure and conformational dynamics of scaffolded DNA origami nanoparticles

DTIC Science & Technology

2017-05-08

all-atom molecular dynamics and coarse-grained finite element modeling to DX-based nanoparticles to elucidate their fine-scale and global conforma... finite element (FE) modeling approach CanDo is also routinely used to predict the 3D equilibrium conformation of programmed DNA assemblies based on a...model with both experimental cryo-electron microscopy (cryo-EM) data and all-atom modeling. MATERIALS AND METHODS Lattice-free finite element model

Simulation of Semi-Solid Material Mechanical Behavior Using a Combined Discrete/Finite Element Method

NASA Astrophysics Data System (ADS)

Sistaninia, M.; Phillion, A. B.; Drezet, J.-M.; Rappaz, M.

2011-01-01

As a necessary step toward the quantitative prediction of hot tearing defects, a three-dimensional stress-strain simulation based on a combined finite element (FE)/discrete element method (DEM) has been developed that is capable of predicting the mechanical behavior of semisolid metallic alloys during solidification. The solidification model used for generating the initial solid-liquid structure is based on a Voronoi tessellation of randomly distributed nucleation centers and a solute diffusion model for each element of this tessellation. At a given fraction of solid, the deformation is then simulated with the solid grains being modeled using an elastoviscoplastic constitutive law, whereas the remaining liquid layers at grain boundaries are approximated by flexible connectors, each consisting of a spring element and a damper element acting in parallel. The model predictions have been validated against Al-Cu alloy experimental data from the literature. The results show that a combined FE/DEM approach is able to express the overall mechanical behavior of semisolid alloys at the macroscale based on the morphology of the grain structure. For the first time, the localization of strain in the intergranular regions is taken into account. Thus, this approach constitutes an indispensible step towards the development of a comprehensive model of hot tearing.

Modeling of Structural-Acoustic Interaction Using Coupled FE/BE Method and Control of Interior Acoustic Pressure Using Piezoelectric Actuators

NASA Technical Reports Server (NTRS)

Mei, Chuh; Shi, Yacheng

1997-01-01

A coupled finite element (FE) and boundary element (BE) approach is presented to model full coupled structural/acoustic/piezoelectric systems. The dual reciprocity boundary element method is used so that the natural frequencies and mode shapes of the coupled system can be obtained, and to extend this approach to time dependent problems. The boundary element method is applied to interior acoustic domains, and the results are very accurate when compared with limited exact solutions. Structural-acoustic problems are then analyzed with the coupled finite element/boundary element method, where the finite element method models the structural domain and the boundary element method models the acoustic domain. Results for a system consisting of an isotropic panel and a cubic cavity are in good agreement with exact solutions and experiment data. The response of a composite panel backed cavity is then obtained. The results show that the mass and stiffness of piezoelectric layers have to be considered. The coupled finite element and boundary element equations are transformed into modal coordinates, which is more convenient for transient excitation. Several transient problems are solved based on this formulation. Two control designs, a linear quadratic regulator (LQR) and a feedforward controller, are applied to reduce the acoustic pressure inside the cavity based on the equations in modal coordinates. The results indicate that both controllers can reduce the interior acoustic pressure and the plate deflection.

Vertical Geochemical Variations and Speciation Studies of As, Fe, Mn, Zn, and Cu in the Sediments of the Central Gangetic Basin: Sequential Extraction and Statistical Approach

PubMed Central

Ramanathan, AL.

2018-01-01

A geochemical and speciation study of As, Fe, Mn, Zn, and Cu was performed using sequential extraction and statistical approaches in the core sediments taken at two locations—Rigni Chhapra and Chaube Chhapra—of the central Gangetic basin (India). A gradual increase in the grain size (varying from clay to coarse sands) was observed in both the core profiles up to 30.5 m depth. The concentrations of analyzed elements ranged as follows: 6.9–14.2 mg/kg for As, 13,849–31,088 mg/kg for Fe, 267–711 mg/kg for Mn, 45–164 mg/kg for Cu for Rigni Chhapra while for Chaube Chhapra the range was 7.5–13.2 mg/kg for As, 10,936–37,052 mg/kg for Fe, 267–1052 mg/kg for Mn, 60–198 mg/kg for Zn and 60–108 mg/kg for Cu. Significant amounts (53–95%) of all the fractionated elemental concentrations were bound within the crystal structure of the minerals as a residual fraction. The reducible fraction was the second most dominant fraction for As (7% and 8%), Fe (3%), Mn (20% and 26%), and Cu (7% and 6%) respectively for both the cores. It may be released when aquifers subjected to changing redox conditions. The acid soluble fraction was of most interest because it could quickly mobilize into the water system which formed the third most dominating among all three fractions. Four color code of sediments showed an association with total As concentration and did not show a relation with any fraction of all elements analyzed. The core sediment was observed enriched with As and other elements (Cu, Fe, Mn, and Zn). However, it fell under uncontaminated to moderately contaminate which might exhibit a low risk in prevailing natural conditions. X-ray diffraction analyses indicated the availability of siderite and magnetite minerals in the core sediments in a section of dark grey with micaceous medium sand with organic matter (black). PMID:29360767

Sulfide Melts and Chalcophile Element Behavior in High Temperature Systems

NASA Astrophysics Data System (ADS)

Wood, B. J.; Kiseeva, K.

2016-12-01

We recently found that partition coefficients (Di) of many weakly and moderately chalcophile elements (e.g., Cd, Zn, Co, Cr, Pb, Sb, In) between sulfide and silicate melts are simple functions of the FeO content of the silicate liquid: logDi A-Blog[FeO] where [FeO] is the FeO concentration in the silicate, A and B are constants and the latter is related to the valency of the element of interest. In contrast, some strongly chalcophile (e.g Cu, Ni, Ag) and lithophile elements (e.g Mn) show marked deviations from linearity on a plot of logDi vs log[FeO]. More recent experiments show that linear behavior is confined to elements whose affinities for S and O are similar to those of Fe. In the case of elements more strongly lithophile than Fe (Ti, U, REE, Zr, Nb, Ta, Mn) a plot of logDi versus log[FeO] describes a U-shape with the element partitioning strongly into the sulfide at very low FeO and again at very high FeO content of the silicate melt. In contrast, strongly chalcophile elements (Cu, Ni, Ag) describe an n-shape on the plot of logD vs log[FeO]. The result is that lithophile elements such as Nb become more "chalcophile" than Cu at very low and very high FeO contents of the silicate melt. The reasons for this surprising behavior are firstly that, at very low FeO contents the silicate melt dissolves substantial amounts of sulfur, which drives down the activity of FeO and, from mass-action "pulls" the lihophile element into the sulfide. At high FeO contents of the silicate the sulfide itself starts to dissolve substantial amounts of oxygen and lithophile elements follow the oxygen into the sulfide. Given the principles which we have established, we are able to describe the patterns of chalcophile element behavior during partial melting and fractional crystallisation on Earth and also on bodies such as Mercury and Mars which are, respectively, strongly reduced relative to Earth and more oxidised than Earth.

Hybrid Evidence Theory-based Finite Element/Statistical Energy Analysis method for mid-frequency analysis of built-up systems with epistemic uncertainties

NASA Astrophysics Data System (ADS)

Yin, Shengwen; Yu, Dejie; Yin, Hui; Lü, Hui; Xia, Baizhan

2017-09-01

Considering the epistemic uncertainties within the hybrid Finite Element/Statistical Energy Analysis (FE/SEA) model when it is used for the response analysis of built-up systems in the mid-frequency range, the hybrid Evidence Theory-based Finite Element/Statistical Energy Analysis (ETFE/SEA) model is established by introducing the evidence theory. Based on the hybrid ETFE/SEA model and the sub-interval perturbation technique, the hybrid Sub-interval Perturbation and Evidence Theory-based Finite Element/Statistical Energy Analysis (SIP-ETFE/SEA) approach is proposed. In the hybrid ETFE/SEA model, the uncertainty in the SEA subsystem is modeled by a non-parametric ensemble, while the uncertainty in the FE subsystem is described by the focal element and basic probability assignment (BPA), and dealt with evidence theory. Within the hybrid SIP-ETFE/SEA approach, the mid-frequency response of interest, such as the ensemble average of the energy response and the cross-spectrum response, is calculated analytically by using the conventional hybrid FE/SEA method. Inspired by the probability theory, the intervals of the mean value, variance and cumulative distribution are used to describe the distribution characteristics of mid-frequency responses of built-up systems with epistemic uncertainties. In order to alleviate the computational burdens for the extreme value analysis, the sub-interval perturbation technique based on the first-order Taylor series expansion is used in ETFE/SEA model to acquire the lower and upper bounds of the mid-frequency responses over each focal element. Three numerical examples are given to illustrate the feasibility and effectiveness of the proposed method.

Investigating Planetesimal Evolution by Experiments with Fe-Ni Metallic Melts: Light Element Composition Effects on Trace Element Partitioning Behavior

NASA Astrophysics Data System (ADS)

Chabot, N. L.

2017-12-01

As planetesimals were heated up in the early Solar System, the formation of Fe-Ni metallic melts was a common occurrence. During planetesimal differentiation, the denser Fe-Ni metallic melts separated from the less dense silicate components, though some meteorites suggest that their parent bodies only experienced partial differentiation. If the Fe-Ni metallic melts did form a central metallic core, the core eventually crystallized to a solid, some of which we sample as iron meteorites. In all of these planetesimal evolution processes, the composition of the Fe-Ni metallic melt influenced the process and the resulting trace element chemical signatures. In particular, the metallic melt's "light element" composition, those elements present in the metallic melt in a significant concentration but with lower atomic masses than Fe, can strongly affect trace element partitioning. Experimental studies have provided critical data to determine the effects of light elements in Fe-Ni metallic melts on trace element partitioning behavior. Here I focus on combining numerous experimental results to identify trace elements that provide unique insight into constraining the light element composition of early Solar System Fe-Ni metallic melts. Experimental studies have been conducted at 1 atm in a variety of Fe-Ni systems to investigate the effects of light elements on trace element partitioning behavior. A frequent experimental examination of the effects of light elements in metallic systems involves producing run products with coexisting solid metal and liquid metal phases. Such solid-metal-liquid-metal experiments have been conducted in the Fe-Ni binary system as well as Fe-Ni systems with S, P, and C. Experiments with O-bearing or Si-bearing Fe-Ni metallic melts do not lend themselves to experiments with coexisting solid metal and liquid metal phases, due to the phase diagrams of these elements, but experiments with two immiscible Fe-Ni metallic melts have provided insight into the qualitative effects of O and Si relative to the well-determined effects of S. Together, these experimental studies provide a robust dataset to identify key elements that are predicted to produce distinct chemical signatures as a function of different Fe-Ni metallic melt compositions during planetesimal evolution processes.

Modeling the biomechanical and injury response of human liver parenchyma under tensile loading.

PubMed

Untaroiu, Costin D; Lu, Yuan-Chiao; Siripurapu, Sundeep K; Kemper, Andrew R

2015-01-01

The rapid advancement in computational power has made human finite element (FE) models one of the most efficient tools for assessing the risk of abdominal injuries in a crash event. In this study, specimen-specific FE models were employed to quantify material and failure properties of human liver parenchyma using a FE optimization approach. Uniaxial tensile tests were performed on 34 parenchyma coupon specimens prepared from two fresh human livers. Each specimen was tested to failure at one of four loading rates (0.01s(-1), 0.1s(-1), 1s(-1), and 10s(-1)) to investigate the effects of rate dependency on the biomechanical and failure response of liver parenchyma. Each test was simulated by prescribing the end displacements of specimen-specific FE models based on the corresponding test data. The parameters of a first-order Ogden material model were identified for each specimen by a FE optimization approach while simulating the pre-tear loading region. The mean material model parameters were then determined for each loading rate from the characteristic averages of the stress-strain curves, and a stochastic optimization approach was utilized to determine the standard deviations of the material model parameters. A hyperelastic material model using a tabulated formulation for rate effects showed good predictions in terms of tensile material properties of human liver parenchyma. Furthermore, the tissue tearing was numerically simulated using a cohesive zone modeling (CZM) approach. A layer of cohesive elements was added at the failure location, and the CZM parameters were identified by fitting the post-tear force-time history recorded in each test. The results show that the proposed approach is able to capture both the biomechanical and failure response, and accurately model the overall force-deflection response of liver parenchyma over a large range of tensile loadings rates. Copyright © 2014 Elsevier Ltd. All rights reserved.

Using Multithreading for the Automatic Load Balancing of 2D Adaptive Finite Element Meshes

NASA Technical Reports Server (NTRS)

Heber, Gerd; Biswas, Rupak; Thulasiraman, Parimala; Gao, Guang R.; Bailey, David H. (Technical Monitor)

1998-01-01

In this paper, we present a multi-threaded approach for the automatic load balancing of adaptive finite element (FE) meshes. The platform of our choice is the EARTH multi-threaded system which offers sufficient capabilities to tackle this problem. We implement the question phase of FE applications on triangular meshes, and exploit the EARTH token mechanism to automatically balance the resulting irregular and highly nonuniform workload. We discuss the results of our experiments on EARTH-SP2, an implementation of EARTH on the IBM SP2, with different load balancing strategies that are built into the runtime system.

Using Multi-threading for the Automatic Load Balancing of 2D Adaptive Finite Element Meshes

NASA Technical Reports Server (NTRS)

Heber, Gerd; Biswas, Rupak; Thulasiraman, Parimala; Gao, Guang R.; Saini, Subhash (Technical Monitor)

1998-01-01

In this paper, we present a multi-threaded approach for the automatic load balancing of adaptive finite element (FE) meshes The platform of our choice is the EARTH multi-threaded system which offers sufficient capabilities to tackle this problem. We implement the adaption phase of FE applications oil triangular meshes and exploit the EARTH token mechanism to automatically balance the resulting irregular and highly nonuniform workload. We discuss the results of our experiments oil EARTH-SP2, on implementation of EARTH on the IBM SP2 with different load balancing strategies that are built into the runtime system.

Total-diet study: dietary intakes of macro elements and trace elements in Italy.

PubMed

Lombardi-Boccia, Ginevra; Aguzzi, Altero; Cappelloni, Marsilio; Di Lullo, Giuseppe; Lucarini, Massimo

2003-12-01

The present study provides the dietary intakes of macro elements (Ca, Mg, Na, K, P) and trace elements (Fe, Zn, Cu, Se) from the Italian total diet. The contribution of the most representative food groups of the total diet (cereals and cereal products, vegetables, fruit, milk and dairy products, meat and meat products, fish) to the daily intakes of these nutrients was also evaluated. The Italian total diet was formulated following the 'market-basket' approach. Cereals represented the primary sources of Cu (35 %), Fe (30 %) and Mg (27 %). About 89 % of the total daily intake of Fe was derived from plant foods. The vegetables food group was the main source of dietary K (27 %). Most of the Ca (59 %) and P (27 %) was derived from the milk-and-dairy food group. Of the dietary Zn, 41 % was provided by meat, which, together with the fish food group, was the primary source of Se (20 %). The adequacy of the Italian total diet with respect to nutritional elements was assessed by comparing the daily intakes with the average requirement values of the Italian recommended dietary allowances. The present findings indicated that the dietary patterns of the Italian total diet were generally consistent with current Italian dietary recommendations for both macro and trace elements. The major concern was for Ca, for which daily intake was 76 % of the average recommendation for the Italian population. It should not be ruled out that there could be a potential risk of inadequate Fe intake in some segments of the population.

Multigrid finite element method in stress analysis of three-dimensional elastic bodies of heterogeneous structure

NASA Astrophysics Data System (ADS)

Matveev, A. D.

2016-11-01

To calculate the three-dimensional elastic body of heterogeneous structure under static loading, a method of multigrid finite element is provided, when implemented on the basis of algorithms of finite element method (FEM), using homogeneous and composite threedimensional multigrid finite elements (MFE). Peculiarities and differences of MFE from the currently available finite elements (FE) are to develop composite MFE (without increasing their dimensions), arbitrarily small basic partition of composite solids consisting of single-grid homogeneous FE of the first order can be used, i.e. in fact, to use micro approach in finite element form. These small partitions allow one to take into account in MFE, i.e. in the basic discrete models of composite solids, complex heterogeneous and microscopically inhomogeneous structure, shape, the complex nature of the loading and fixation and describe arbitrarily closely the stress and stain state by the equations of three-dimensional elastic theory without any additional simplifying hypotheses. When building the m grid FE, m of nested grids is used. The fine grid is generated by a basic partition of MFE, the other m —1 large grids are applied to reduce MFE dimensionality, when m is increased, MFE dimensionality becomes smaller. The procedures of developing MFE of rectangular parallelepiped, irregular shape, plate and beam types are given. MFE generate the small dimensional discrete models and numerical solutions with a high accuracy. An example of calculating the laminated plate, using three-dimensional 3-grid FE and the reference discrete model is given, with that having 2.2 milliards of FEM nodal unknowns.

Sulfur, sulfides, oxides and organic matter aggregated in submarine hydrothermal plumes at 9°50‧N East Pacific Rise

NASA Astrophysics Data System (ADS)

Breier, J. A.; Toner, B. M.; Fakra, S. C.; Marcus, M. A.; White, S. N.; Thurnherr, A. M.; German, C. R.

2012-07-01

Deep-sea hydrothermal plume particles are known to sequester seawater trace elements and influence ocean-scale biogeochemical budgets. The relative importance of biotic versus abiotic oxidation-reduction and other particle-forming reaction, however, and the mechanisms of seawater trace element sequestration remain unknown. Suspended particulate material was collected from a non-buoyant hydrothermal plume by in situ filtration at 9°50‧N East Pacific Rise during a 3-day, 24 sample, time-series. Twenty-three samples were digested for total elemental analysis. One representative sample was selected for particle-by-particle geochemical analyses including elemental composition by X-ray fluorescence, speciation of Fe, S, and C by 1s X-ray absorption near edge structure spectroscopy, and X-ray diffraction. Consistent with past studies, positive linear correlations were observed for P, V, As, and Cr with Fe in the bulk chemistry. Arsenic was associated with both Fe oxyhydroxides and sulfides but not uniformly distributed among either mineral type. Particle aggregation was common. Aggregates were composed of minerals embedded in an organic matrix; the minerals ranged from <20 nm to >10 μm in diameter. The speciation of major mineral forming elements (Fe, Mn, S) was complex. Over 20 different minerals were observed, nine of which were either unpredicted by thermodynamic modeling or had no close match in the thermodynamic database. Sulfur-bearing phases consisted of polysulfides (S6, S8), and metal sulfides (Fe, Cu, Zn, Mn). Four dominant species, Fe oxyhydroxide, Fe monosulfide, pyrrhotite, and pyrite, accounted for >80% of the Fe present. Particulate Mn was prevalent in both oxidized and reduced minerals. The organic matrix was: (1) always associated with minerals, (2) composed of biomolecules, and (3) rich in S. Possible sources of this S-rich organic matter include entrained near vent biomass and in situ production by S-oxidizing microorganisms. These results indicate that particle aggregation with organic material is prevalent in dispersing hydrothermal plume fluxes, as well as in sinking particulate matter at this site. Particle aggregation and organic coatings can influence the reactivity, transport, and residence time of hydrothermal particles in the water column. Thus a biogeochemical approach is critical to understanding the net effect of hydrothermal fluxes on ocean and sedimentary trace element budgets.

Inflow, Outflow, Yields, and Stellar Population Mixing in Chemical Evolution Models

NASA Astrophysics Data System (ADS)

Andrews, Brett H.; Weinberg, David H.; Schönrich, Ralph; Johnson, Jennifer A.

2017-02-01

Chemical evolution models are powerful tools for interpreting stellar abundance surveys and understanding galaxy evolution. However, their predictions depend heavily on the treatment of inflow, outflow, star formation efficiency (SFE), the stellar initial mass function, the SN Ia delay time distribution, stellar yields, and stellar population mixing. Using flexCE, a flexible one-zone chemical evolution code, we investigate the effects of and trade-offs between parameters. Two critical parameters are SFE and the outflow mass-loading parameter, which shift the knee in [O/Fe]-[Fe/H] and the equilibrium abundances that the simulations asymptotically approach, respectively. One-zone models with simple star formation histories follow narrow tracks in [O/Fe]-[Fe/H] unlike the observed bimodality (separate high-α and low-α sequences) in this plane. A mix of one-zone models with inflow timescale and outflow mass-loading parameter variations, motivated by the inside-out galaxy formation scenario with radial mixing, reproduces the two sequences better than a one-zone model with two infall epochs. We present [X/Fe]-[Fe/H] tracks for 20 elements assuming three different supernova yield models and find some significant discrepancies with solar neighborhood observations, especially for elements with strongly metallicity-dependent yields. We apply principal component abundance analysis to the simulations and existing data to reveal the main correlations among abundances and quantify their contributions to variation in abundance space. For the stellar population mixing scenario, the abundances of α-elements and elements with metallicity-dependent yields dominate the first and second principal components, respectively, and collectively explain 99% of the variance in the model. flexCE is a python package available at https://github.com/bretthandrews/flexCE.

Inflow, Outflow, Yields, and Stellar Population Mixing in Chemical Evolution Models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andrews, Brett H.; Weinberg, David H.; Schönrich, Ralph

Chemical evolution models are powerful tools for interpreting stellar abundance surveys and understanding galaxy evolution. However, their predictions depend heavily on the treatment of inflow, outflow, star formation efficiency (SFE), the stellar initial mass function, the SN Ia delay time distribution, stellar yields, and stellar population mixing. Using flexCE, a flexible one-zone chemical evolution code, we investigate the effects of and trade-offs between parameters. Two critical parameters are SFE and the outflow mass-loading parameter, which shift the knee in [O/Fe]–[Fe/H] and the equilibrium abundances that the simulations asymptotically approach, respectively. One-zone models with simple star formation histories follow narrow tracksmore » in [O/Fe]–[Fe/H] unlike the observed bimodality (separate high- α and low- α sequences) in this plane. A mix of one-zone models with inflow timescale and outflow mass-loading parameter variations, motivated by the inside-out galaxy formation scenario with radial mixing, reproduces the two sequences better than a one-zone model with two infall epochs. We present [X/Fe]–[Fe/H] tracks for 20 elements assuming three different supernova yield models and find some significant discrepancies with solar neighborhood observations, especially for elements with strongly metallicity-dependent yields. We apply principal component abundance analysis to the simulations and existing data to reveal the main correlations among abundances and quantify their contributions to variation in abundance space. For the stellar population mixing scenario, the abundances of α -elements and elements with metallicity-dependent yields dominate the first and second principal components, respectively, and collectively explain 99% of the variance in the model. flexCE is a python package available at https://github.com/bretthandrews/flexCE.« less

Discrimination of Venezuelan spirituous beverages by a trace element-radial basis neural network approach.

PubMed

Hernández-Caraballo, Edwin A; Avila de Hernández, Rita M; Rivas-Echeverría, Francklin; Capote-Luna, Tarcisio

2008-01-15

Radial basis neural networks (RBNNs) were developed and evaluated for discrimination of specimens of 'aguardiente de Cocuy', a spirituous beverage produced in the northwestern region of Venezuela. The beverage is distilled from the must of Agave cocui Trelease in an artisanship fashion with little quality control. Forty specimens, with known concentrations of copper, iron, and zinc, were used in this study. The specimens were previously collected in various locations around Sucre Municipality (Falcón State) and Urdaneta Municipality (Lara State). The normalized concentrations of these elements served as indirect descriptors of origin (input data). They were presented to the neural networks through 1-3 input nodes in seven different combinations. In addition, two categories (two collection sites) and four categories (two collection sites+two manufacturing conditions) were designated as output data, in order to assess the impact of such selection on the discrimination performance. The overall performance of the four-category RBNNs was as follows (the input data is indicated in parentheses): (Cu-Fe)>(Cu-Zn)>(Cu)>(Zn)>(Fe-Zn)>(Cu-Fe-Zn)>(Fe). In this case, the highest percentage of correct hits was 82.5%. For the two-category RBNNs, the performance decreased as indicated below: (Cu)>(Cu-Fe)>(Cu-Zn)>(Fe-Zn)>(Zn) approximately (Cu-Fe-Zn)>(Fe). The reduction in the number of categories led to an increase in the discrimination performance of all the RBNNs, the best of which was 90.0%. The possibility of discriminating specimens of 'aguardiente de Cocuy' with such an accuracy, based on a single-element determination, is particularly attractive as it would result in a reduction of analysis' costs and laboratory's response time.

Development of new vibration energy flow analysis software and its applications to vehicle systems

NASA Astrophysics Data System (ADS)

Kim, D.-J.; Hong, S.-Y.; Park, Y.-H.

2005-09-01

The Energy flow analysis (EFA) offers very promising results in predicting the noise and vibration responses of system structures in medium-to-high frequency ranges. We have developed the Energy flow finite element method (EFFEM) based software, EFADSC++ R4, for the vibration analysis. The software can analyze the system structures composed of beam, plate, spring-damper, rigid body elements and many other components developed, and has many useful functions in analysis. For convenient use of the software, the main functions of the whole software are modularized into translator, model-converter, and solver. The translator module makes it possible to use finite element (FE) model for the vibration analysis. The model-converter module changes FE model into energy flow finite element (EFFE) model, and generates joint elements to cover the vibrational attenuation in the complex structures composed of various elements and can solve the joint element equations by using the wave tra! nsmission approach very quickly. The solver module supports the various direct and iterative solvers for multi-DOF structures. The predictions of vibration for real vehicles by using the developed software were performed successfully.

Dynamic Modelling of Tooth Deformation Using Occlusal Kinematics and Finite Element Analysis.

PubMed

Benazzi, Stefano; Nguyen, Huynh Nhu; Kullmer, Ottmar; Kupczik, Kornelius

2016-01-01

Dental biomechanics based on finite element (FE) analysis is attracting enormous interest in dentistry, biology, anthropology and palaeontology. Nonetheless, several shortcomings in FE modeling exist, mainly due to unrealistic loading conditions. In this contribution we used kinematics information recorded in a virtual environment derived from occlusal contact detection between high resolution models of an upper and lower human first molar pair (M1 and M1, respectively) to run a non-linear dynamic FE crash colliding test. MicroCT image data of a modern human skull were segmented to reconstruct digital models of the antagonistic right M1 and M1 and the dental supporting structures. We used the Occlusal Fingerprint Analyser software to reconstruct the individual occlusal pathway trajectory during the power stroke of the chewing cycle, which was applied in a FE simulation to guide the M1 3D-path for the crash colliding test. FE analysis results showed that the stress pattern changes considerably during the power stroke, demonstrating that knowledge about chewing kinematics in conjunction with a morphologically detailed FE model is crucial for understanding tooth form and function under physiological conditions. Results from such advanced dynamic approaches will be applicable to evaluate and avoid mechanical failure in prosthodontics/endodontic treatments, and to test material behavior for modern tooth restoration in dentistry. This approach will also allow us to improve our knowledge in chewing-related biomechanics for functional diagnosis and therapy, and it will help paleoanthropologists to illuminate dental adaptive processes and morphological modifications in human evolution.

Compositional Reservoir Simulation of Highly Heterogeneous and Anisotropic Fractured Media in 2D and 3D Unstructured Gridding

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.

Modeling the global emission, transport and deposition of trace elements associated with mineral dust

DOE PAGES

Zhang, Y.; Mahowald, N.; Scanza, R. A.; ...

2015-10-12

Trace element deposition from desert dust has important impacts on ocean primary productivity, the quantification of which could be useful in determining the magnitude and sign of the biogeochemical feedback on radiative forcing. However, the impact of elemental deposition to remote ocean regions is not well understood and is not currently included in global climate models. In this study, emission inventories for eight elements primarily of soil origin, Mg, P, Ca, Mn, Fe, K, Al, and Si are determined based on a global mineral data set and a soil data set. The resulting elemental fractions are used to drive themore » desert dust model in the Community Earth System Model (CESM) in order to simulate the elemental concentrations of atmospheric dust. Spatial variability of mineral dust elemental fractions is evident on a global scale, particularly for Ca. Simulations of global variations in the Ca / Al ratio, which typically range from around 0.1 to 5.0 in soils, are consistent with observations, suggesting that this ratio is a good signature for dust source regions. The simulated variable fractions of chemical elements are sufficiently different; estimates of deposition should include elemental variations, especially for Ca, Al and Fe. The model results have been evaluated with observations of elemental aerosol concentrations from desert regions and dust events in non-dust regions, providing insights into uncertainties in the modeling approach. The ratios between modeled and observed elemental fractions range from 0.7 to 1.6, except for Mg and Mn (3.4 and 3.5, respectively). Using the soil database improves the correspondence of the spatial heterogeneity in the modeling of several elements (Ca, Al and Fe) compared to observations. Total and soluble dust element fluxes to different ocean basins and ice sheet regions have been estimated, based on the model results. The annual inputs of soluble Mg, P, Ca, Mn, Fe and K associated with dust using the mineral data set are 0.30 Tg, 16.89 Gg, 1.32 Tg, 22.84 Gg, 0.068 Tg, and 0.15 Tg to global oceans and ice sheets.« less

Variation in trace element content of magnetite crystallized from a fractionating sulfide liquid, Sudbury, Canada: Implications for provenance discrimination

NASA Astrophysics Data System (ADS)

Dare, Sarah A. S.; Barnes, Sarah-Jane; Beaudoin, Georges

2012-07-01

Laser ablation ICP-MS analysis has been applied to many accessory minerals in order to understand better the process by which the rock formed and for provenance discrimination. We have determined trace element concentrations of Fe-oxides in massive sulfides that form Ni-Cu-PGE deposits at the base of the Sudbury Igneous Complex in Canada. The samples represent the crystallization products of fractionating sulfide liquids and consist of early-forming Fe-rich monosulfide solution (MSS) cumulates and residual Cu-rich intermediate solid solution (ISS). This study shows that Fe-oxide geochemistry is a sensitive petrogenetic indicator for the degree of fractionation of the sulfide liquid and provides an insight into the partitioning of elements between sulfide and Fe-oxide phases. In addition, it is useful in determining the provenance of detrital Fe-oxide. In a sulfide melt, all lithophile elements (Cr, Ti, V, Al, Mn, Sc, Nb, Ga, Ge, Ta, Hf, W and Zr) are compatible into Fe-oxide. The concentrations of these elements are highest in the early-forming Fe-oxide (titanomagnetite) which crystallized with Fe-rich MSS. Upon the continual crystallization of Fe-oxide from the sulfide liquid, the lithophile elements gradually decrease so that late-forming Fe-oxide (magnetite), which crystallized from the residual Cu-rich liquid, is depleted in these elements. This behavior is in contrast with Fe-oxides that crystallized from a fractionating silicate melt, whereby the concentration of incompatible elements, such as Ti, increases rather than decreases. The behavior of the chalcophile elements in magnetite is largely controlled by the crystallization of the sulfide minerals with only Ni, Co, Zn, Mo, Sn and Pb present above detection limit in magnetite. Nickel, Mo and Co are compatible in Fe-rich MSS and thus the co-crystallizing Fe-oxide is depleted in these elements. In contrast, magnetite that crystallized later from the fractionated liquid with Cu-rich ISS is enriched in Ni, Mo and Co because Fe-rich MSS is absent. The concentrations of Sn and Pb, which are incompatible with Fe-rich MSS, are highest in magnetite that formed from the fractionated Cu-rich liquid. At subsolidus temperatures, ilmenite exsolved from titanomagnetite whereas Al-spinel exsolved from the cores of some magnetite, locally redistributing the trace elements. However, during laser ablation ICP-MS analysis of these Fe-oxides both the magnetite and its exsolution products are ablated so that the analysis represents the original magmatic composition of the Fe-oxide that crystallized from the sulfide melt.

A General Interface Method for Aeroelastic Analysis of Aircraft

NASA Technical Reports Server (NTRS)

Tzong, T.; Chen, H. H.; Chang, K. C.; Wu, T.; Cebeci, T.

1996-01-01

The aeroelastic analysis of an aircraft requires an accurate and efficient procedure to couple aerodynamics and structures. The procedure needs an interface method to bridge the gap between the aerodynamic and structural models in order to transform loads and displacements. Such an interface method is described in this report. This interface method transforms loads computed by any aerodynamic code to a structural finite element (FE) model and converts the displacements from the FE model to the aerodynamic model. The approach is based on FE technology in which virtual work is employed to transform the aerodynamic pressures into FE nodal forces. The displacements at the FE nodes are then converted back to aerodynamic grid points on the aircraft surface through the reciprocal theorem in structural engineering. The method allows both high and crude fidelities of both models and does not require an intermediate modeling. In addition, the method performs the conversion of loads and displacements directly between individual aerodynamic grid point and its corresponding structural finite element and, hence, is very efficient for large aircraft models. This report also describes the application of this aero-structure interface method to a simple wing and an MD-90 wing. The results show that the aeroelastic effect is very important. For the simple wing, both linear and nonlinear approaches are used. In the linear approach, the deformation of the structural model is considered small, and the loads from the deformed aerodynamic model are applied to the original geometry of the structure. In the nonlinear approach, the geometry of the structure and its stiffness matrix are updated in every iteration and the increments of loads from the previous iteration are applied to the new structural geometry in order to compute the displacement increments. Additional studies to apply the aero-structure interaction procedure to more complicated geometry will be conducted in the second phase of the present contract.

pK(A) in proteins solving the Poisson-Boltzmann equation with finite elements.

PubMed

Sakalli, Ilkay; Knapp, Ernst-Walter

2015-11-05

Knowledge on pK(A) values is an eminent factor to understand the function of proteins in living systems. We present a novel approach demonstrating that the finite element (FE) method of solving the linearized Poisson-Boltzmann equation (lPBE) can successfully be used to compute pK(A) values in proteins with high accuracy as a possible replacement to finite difference (FD) method. For this purpose, we implemented the software molecular Finite Element Solver (mFES) in the framework of the Karlsberg+ program to compute pK(A) values. This work focuses on a comparison between pK(A) computations obtained with the well-established FD method and with the new developed FE method mFES, solving the lPBE using protein crystal structures without conformational changes. Accurate and coarse model systems are set up with mFES using a similar number of unknowns compared with the FD method. Our FE method delivers results for computations of pK(A) values and interaction energies of titratable groups, which are comparable in accuracy. We introduce different thermodynamic cycles to evaluate pK(A) values and we show for the FE method how different parameters influence the accuracy of computed pK(A) values. © 2015 Wiley Periodicals, Inc.

Two novel FeII-oxalate architectures: Solvent-free synthesis, structures, thermal and magnetic studies

NASA Astrophysics Data System (ADS)

Li, Jin-Hua; Liu, Hui; Wei, Li; Wang, Guo-Ming

2015-10-01

Two novel FeII-oxalate framework with the formulas of [NH4][FeIILi3(C2O4)3] (1) and [NH4]2[FeII(C2O4)2]·H2O (2) have been prepared by an oxalic acid flux approach and structurally characterized by IR, elemental analysis, thermogravimetric analysis, single-crystal and powder X-ray diffraction. Heterometallic compound 1 displays a three-dimensional (3D) framework with a pto topology, while homometallic compound 2 features a pillar-layer architecture with a hms topology. Thermal analysis indicates that the two compounds can be stable up to 300 °C and 200 °C, respectively. Magnetic investigations suggest that the FeII ions in 1 and 2 exhibit weak magnetic exchange interactions.

Using an optimization approach to design an insole for lowering plantar fascia stress--a finite element study.

PubMed

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.

Design of template-stabilized active and earth-abundant oxygen evolution catalysts in acid† †Electronic supplementary information (ESI) available: CVs for unary metal oxides deposition, electrochemical stability at higher current densities for unary metal oxides at pH 2.5, EDS maps for CoMnOx and CoPbOx, STEM images and PXRD of CoMnOx and CoFePbOx, high-resolution XPS of Fe 2p for CoFePbOx, Pourbaix diagrams (of Mn, Co, Pb, and Fe), and elemental analysis. See DOI: 10.1039/c7sc01239j Click here for additional data file.

PubMed Central

Huynh, Michael; Ozel, Tuncay; Liu, Chong; Lau, Eric C.

2017-01-01

Oxygen evolution reaction (OER) catalysts that are earth-abundant and are active and stable in acid are unknown. Active catalysts derived from Co and Ni oxides dissolve at low pH, whereas acid stable systems such as Mn oxides (MnOx) display poor OER activity. We now demonstrate a rational approach for the design of earth-abundant catalysts that are stable and active in acid by treating activity and stability as decoupled elements of mixed metal oxides. Manganese serves as a stabilizing structural element for catalytically active Co centers in CoMnOx films. In acidic solutions (pH 2.5), CoMnOx exhibits the OER activity of electrodeposited Co oxide (CoOx) with a Tafel slope of 70–80 mV per decade while also retaining the long-term acid stability of MnOx films for OER at 0.1 mA cm–2. Driving OER at greater current densities in this system is not viable because at high anodic potentials, Mn oxides convert to and dissolve as permanganate. However, by exploiting the decoupled design of the catalyst, the stabilizing structural element may be optimized independently of the Co active sites. By screening potential–pH diagrams, we replaced Mn with Pb to prepare CoFePbOx films that maintained the high OER activity of CoOx at pH 2.5 while exhibiting long-term acid stability at higher current densities (at 1 mA cm–2 for over 50 h at pH 2.0). Under these acidic conditions, CoFePbOx exhibits OER activity that approaches noble metal oxides, thus establishing the viability of decoupling functionality in mixed metal catalysts for designing active, acid-stable, and earth-abundant OER catalysts. PMID:29163926

A parametric model order reduction technique for poroelastic finite element models.

PubMed

Lappano, Ettore; Polanz, Markus; Desmet, Wim; Mundo, Domenico

2017-10-01

This research presents a parametric model order reduction approach for vibro-acoustic problems in the frequency domain of systems containing poroelastic materials (PEM). The method is applied to the Finite Element (FE) discretization of the weak u-p integral formulation based on the Biot-Allard theory and makes use of reduced basis (RB) methods typically employed for parametric problems. The parametric reduction is obtained rewriting the Biot-Allard FE equations for poroelastic materials using an affine representation of the frequency (therefore allowing for RB methods) and projecting the frequency-dependent PEM system on a global reduced order basis generated with the proper orthogonal decomposition instead of standard modal approaches. This has proven to be better suited to describe the nonlinear frequency dependence and the strong coupling introduced by damping. The methodology presented is tested on two three-dimensional systems: in the first experiment, the surface impedance of a PEM layer sample is calculated and compared with results of the literature; in the second, the reduced order model of a multilayer system coupled to an air cavity is assessed and the results are compared to those of the reference FE model.

A finite element model of the lower limb during stance phase of gait cycle including the muscle forces.

PubMed

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.

Relationship between sample volumes and modulus of human vertebral trabecular bone in micro-finite element analysis.

PubMed

Wen, Xin-Xin; Xu, Chao; Zong, Chun-Lin; Feng, Ya-Fei; Ma, Xiang-Yu; Wang, Fa-Qi; Yan, Ya-Bo; Lei, Wei

2016-07-01

Micro-finite element (μFE) models have been widely used to assess the biomechanical properties of trabecular bone. How to choose a proper sample volume of trabecular bone, which could predict the real bone biomechanical properties and reduce the calculation time, was an interesting problem. Therefore, the purpose of this study was to investigate the relationship between different sample volumes and apparent elastic modulus (E) calculated from μFE model. 5 Human lumbar vertebral bodies (L1-L5) were scanned by micro-CT. Cubic concentric samples of different lengths were constructed as the experimental groups and the largest possible volumes of interest (VOI) were constructed as the control group. A direct voxel-to-element approach was used to generate μFE models and steel layers were added to the superior and inferior surface to mimic axial compression tests. A 1% axial strain was prescribed to the top surface of the model to obtain the E values. ANOVA tests were performed to compare the E values from the different VOIs against that of the control group. Nonlinear function curve fitting was performed to study the relationship between volumes and E values. The larger cubic VOI included more nodes and elements, and more CPU times were needed for calculations. E values showed a descending tendency as the length of cubic VOI decreased. When the volume of VOI was smaller than (7.34mm(3)), E values were significantly different from the control group. The fit function showed that E values approached an asymptotic values with increasing length of VOI. Our study demonstrated that apparent elastic modulus calculated from μFE models were affected by the sample volumes. There was a descending tendency of E values as the length of cubic VOI decreased. Sample volume which was not smaller than (7.34mm(3)) was efficient enough and timesaving for the calculation of E. Copyright © 2016 Elsevier Ltd. All rights reserved.

Effects of trace elements on the crystal field parameters of Nd ions at the surface of Nd{sub 2}Fe{sub 14}B grains

DOE Office of Scientific and Technical Information (OSTI.GOV)

Toga, Yuta; Suzuki, Tsuneaki; Sakuma, Akimasa, E-mail: sakuma@solid.apph.tohoku.ac.jp

2015-06-14

Using first-principles calculations, we investigate the positional dependence of trace elements such as O and Cu on the crystal field parameter A{sub 2}{sup 0}, proportional to the magnetic anisotropy constant K{sub u} of Nd ions placed at the surface of Nd{sub 2}Fe{sub 14}B grains. The results suggest the possibility that the A{sub 2}{sup 0} parameter of Nd ions at the (001) surface of Nd{sub 2}Fe{sub 14}B grains exhibits a negative value when the O or Cu atom is located near the surface, closer than its equilibrium position. At the (110) surface, however, O atoms located at the equilibrium position providemore » a negative A{sub 2}{sup 0}, while for Cu additions A{sub 2}{sup 0} remains positive regardless of Cu's position. Thus, Cu atoms are expected to maintain a positive local K{sub u} of surface Nd ions more frequently than O atoms when they approach the grain surfaces in the Nd-Fe-B grains.« less

Monitoring impacts of air pollution: PIXE analysis and histopathological modalities in evaluating relative risks of elemental contamination.

PubMed

Ejaz, Sohail; Camer, Gerry Amor; Anwar, Khaleeq; Ashraf, Muhammad

2014-04-01

Environmental toxicants invariably affect all biological organisms resulting to sufferings ranging from subclinical to debilitating clinical conditions. This novel research aimed to determine the toxic burdens of increased environmental elements in some vital organs/tissues of the wild animals (starling, owl, crow and pigeon), exposed to air polluted environment were assessed using particle induced X-ray emission and histopathological approaches. The presence of significantly elevated amounts of elemental toxicants namely: Aluminum (Al), Chlorine (Cl), Iron (Fe), Potassium (K), Magnesium (Mg), Manganese (Mn), Silicon (Si) and Vanadium (V) from the skin, muscle, lungs, liver and kidney of sampled animals were in concurrence with the observed histopathological changes. The skin of sampled starling, owl, pigeon and crow spotlighted highly significant increase (P < 0.001) in Al, Cl, Mg and Si. Muscle samples with myodegenerative lesions and mineral depositions highlighted substantial augmentation (P < 0.001) in the amount of Al, Fe, Mn, Si and V. The lungs of starling, owl, and pigeon were severely intoxicated (P < 0.001) with increased amount of Al, Fe, K, Mn and Si producing pulmonary lesions of congestion, edema, pneumonitis and mineral debris depositions. Liver samples revealed that the sampled animals were laden with Cl, Fe, Mg, Mn and V with histopathological profound degenerative changes and hepatic necrosis. Kidney sections presented severe tubular degenerative and necrotic changes that may be attributed to increased amounts of Cl and Fe. These current findings implied that the environmental/elemental toxicants and the accompanying lesions that were discerned in the organs/tissues of sampled birds may as well be afflicting people living within the polluted area. Further assessment to more conclusively demonstrate correlations of current findings to those of the populace within the area is encouraged.

Metal-fluxes characterization at a catchment scale: Study of mixing processes and end-member analysis in the Meca River watershed (SW Spain)

NASA Astrophysics Data System (ADS)

Cánovas, C. R.; Macías, F.; Olías, M.; López, R. Pérez; Nieto, J. M.

2017-07-01

Fluxes of acidity and contaminants from acid mine drainage (AMD) sources to the receiving surface water bodies were studied in a mining-impacted watershed (Meca River, SW Spain) using a novel methodology based on the joint application of EMMA and MIX codes. The application of EMMA and elemental ratios allowed delimiting the end-members responsible for water quality variations at a catchment scale. The further application of MIX quantified the significant impact of AMD on the river quality; less than 10% of AMD relative contribution is enough to maintain acidic conditions during most of the year. The mixing model also provided information about the element mobility, distinguishing those elements with a quasi-conservative behavior (e.g., Cu, Zn, Al, Co or Ni) from those affected by mineral precipitation/dissolution (e.g., K, Si, Na, Sr, Ca, Fe, Pb, or As). Floods are the main driver of dissolved and, mainly particulate, contaminants in the catchment. Thus, the first rainfall events in November only accounted for 19% of the annual Meca flow but yielded between 26 and 43% of the net acidity and dissolved metal loads (mainly, Fe, As and Pb). Concerning particulate transport, around 332 tons of particulate Fe, 49 tons of Al, 0.79 tons of As and 0.37 tons of Pb were recorded during these first floods. The particulate As concentration can be up to 34 times higher than the dissolved one during floods and between 2 and 4 times higher for Fe, Pb and Cr. This integrated modeling approach could be a promising and useful tool to face future restoration plans in derelict mines worldwide. This approach would allow prioritizing remedial measures, achieving an environmental and cost-effective restoration of degraded areas.

Traction cytometry: regularization in the Fourier approach and comparisons with finite element method.

PubMed

Kulkarni, Ankur H; Ghosh, Prasenjit; Seetharaman, Ashwin; Kondaiah, Paturu; Gundiah, Namrata

2018-05-09

Traction forces exerted by adherent cells are quantified using displacements of embedded markers on polyacrylamide substrates due to cell contractility. Fourier Transform Traction Cytometry (FTTC) is widely used to calculate tractions but has inherent limitations due to errors in the displacement fields; these are mitigated through a regularization parameter (γ) in the Reg-FTTC method. An alternate finite element (FE) approach computes tractions on a domain using known boundary conditions. Robust verification and recovery studies are lacking but essential in assessing the accuracy and noise sensitivity of the traction solutions from the different methods. We implemented the L2 regularization method and defined a maximum curvature point in the traction with γ plot as the optimal regularization parameter (γ*) in the Reg-FTTC approach. Traction reconstructions using γ* yield accurate values of low and maximum tractions (Tmax) in the presence of up to 5% noise. Reg-FTTC is hence a clear improvement over the FTTC method but is inadequate to reconstruct low stresses such as those at nascent focal adhesions. FE, implemented using a node-by-node comparison, showed an intermediate reconstruction compared to Reg-FTTC. We performed experiments using mouse embryonic fibroblast (MEF) and compared results between these approaches. Tractions from FTTC and FE showed differences of ∼92% and 22% as compared to Reg-FTTC. Selection of an optimum value of γ for each cell reduced variability in the computed tractions as compared to using a single value of γ for all the MEF cells in this study.

Astronaut Bone Medical Standards Derived from Finite Element (FE) Models of QCT Scans from Population Studies

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.

A geochemical approach to constraining the formation of glassy fallout debris from nuclear tests

DOE PAGES

Bonamici, Chloë E.; Kinman, William S.; Fournelle, John H.; ...

2016-12-15

Reprocessed earth material is a glassy nuclear fallout debris from near-surface nuclear tests. A geochemical approach to analysis of glassy fallout is uniquely suited to determine the means of reprocessing and shed light on the mechanisms of fallout formation. An improved understanding of fallout formation is of interest both for its potential to guide post-detonation nuclear forensic investigations and in the context of possible affinities between glassy debris and other glasses generated by high-energy natural events, such as meteorite impacts and lightning strikes. Our study presents a large major-element compositional dataset for glasses within aerodynamic fallout from the Trinity nuclearmore » test (“trinitite”) and a geochemically based analysis of the glass compositional trends. Silica-rich and alkali-rich trinitite glasses show compositions and textures consistent with formation through melting of individual mineral grains—quartz and alkali feldspar, respectively—from the test-site sediment. Furthermore, the volumetrically dominant glass phase—called the CaMgFe glass—shows extreme major-element compositional variability. Compositional trends in the CaMgFe glass are most consistent with formation through volatility-controlled condensation from compositionally heterogeneous plasma. Radioactivity occurs only in CaMgFe glass, indicating that co-condensation of evaporated bulk ground material and trace device material was the main mechanism of radioisotope incorporation into trinitite. CaMgFe trinitite glasses overlap compositionally with basalts, rhyolites, fulgurites, tektites, and microtektites but display greater compositional diversity than all of these naturally formed glasses. Indeed, the most refractory CaMgFe glasses compositionally resemble early solar system condensates—specifically, CAIs.« less

A geochemical approach to constraining the formation of glassy fallout debris from nuclear tests

NASA Astrophysics Data System (ADS)

Bonamici, Chloë E.; Kinman, William S.; Fournelle, John H.; Zimmer, Mindy M.; Pollington, Anthony D.; Rector, Kirk D.

2017-01-01

Glassy nuclear fallout debris from near-surface nuclear tests is fundamentally reprocessed earth material. A geochemical approach to analysis of glassy fallout is uniquely suited to determine the means of reprocessing and shed light on the mechanisms of fallout formation. An improved understanding of fallout formation is of interest both for its potential to guide post-detonation nuclear forensic investigations and in the context of possible affinities between glassy debris and other glasses generated by high-energy natural events, such as meteorite impacts and lightning strikes. This study presents a large major-element compositional dataset for glasses within aerodynamic fallout from the Trinity nuclear test ("trinitite") and a geochemically based analysis of the glass compositional trends. Silica-rich and alkali-rich trinitite glasses show compositions and textures consistent with formation through melting of individual mineral grains—quartz and alkali feldspar, respectively—from the test-site sediment. The volumetrically dominant glass phase—called the CaMgFe glass—shows extreme major-element compositional variability. Compositional trends in the CaMgFe glass are most consistent with formation through volatility-controlled condensation from compositionally heterogeneous plasma. Radioactivity occurs only in CaMgFe glass, indicating that co-condensation of evaporated bulk ground material and trace device material was the main mechanism of radioisotope incorporation into trinitite. CaMgFe trinitite glasses overlap compositionally with basalts, rhyolites, fulgurites, tektites, and microtektites but display greater compositional diversity than all of these naturally formed glasses. Indeed, the most refractory CaMgFe glasses compositionally resemble early solar system condensates—specifically, CAIs.

Rotorcraft Transmission Noise Path Model, Including Distributed Fluid Film Bearing Impedance Modeling

NASA Technical Reports Server (NTRS)

Hambric, Stephen A.; Hanford, Amanda D.; Shepherd, Micah R.; Campbell, Robert L.; Smith, Edward C.

2010-01-01

A computational approach for simulating the effects of rolling element and journal bearings on the vibration and sound transmission through gearboxes has been demonstrated. The approach, using ARL/Penn State s CHAMP methodology, uses Component Mode Synthesis of housing and shafting modes computed using Finite Element (FE) models to allow for rapid adjustment of bearing impedances in gearbox models. The approach has been demonstrated on NASA GRC s test gearbox with three different bearing configurations: in the first condition, traditional rolling element (ball and roller) bearings were installed, and in the second and third conditions, the traditional bearings were replaced with journal and wave bearings (wave bearings are journal bearings with a multi-lobed wave pattern on the bearing surface). A methodology for computing the stiffnesses and damping in journal and wave bearings has been presented, and demonstrated for the journal and wave bearings used in the NASA GRC test gearbox. The FE model of the gearbox, along with the rolling element bearing coupling impedances, was analyzed to compute dynamic transfer functions between forces applied to the meshing gears and accelerations on the gearbox housing, including several locations near the bearings. A Boundary Element (BE) acoustic model was used to compute the sound radiated by the gearbox. Measurements of the Gear Mesh Frequency (GMF) tones were made by NASA GRC at several operational speeds for the rolling element and journal bearing gearbox configurations. Both the measurements and the CHAMP numerical model indicate that the journal bearings reduce vibration and noise for the second harmonic of the gear meshing tones, but show no clear benefit to using journal bearings to reduce the amplitudes of the fundamental gear meshing tones. Also, the numerical model shows that the gearbox vibrations and radiated sound are similar for journal and wave bearing configurations.

Assessing element distribution and speciation in a stream at abandoned Pb-Zn mining site by combining classical, in-situ DGT and modelling approaches.

PubMed

Omanović, Dario; Pižeta, Ivanka; Vukosav, Petra; Kovács, Elza; Frančišković-Bilinski, Stanislav; Tamás, János

2015-04-01

The distribution and speciation of elements along a stream subjected to neutralised acid mine drainage (NAMD) effluent waters (Mátra Mountain, Hungary; Toka stream) were studied by a multi-methodological approach: dissolved and particulate fractions of elements were determined by HR-ICPMS, whereas speciation was carried out by DGT, supported by speciation modelling performed by Visual MINTEQ. Before the NAMD discharge, the Toka is considered as a pristine stream, with averages of dissolved concentrations of elements lower than world averages. A considerable increase of element concentrations caused by effluent water inflow is followed by a sharp or gradual concentration decrease. A large difference between total and dissolved concentrations was found for Fe, Al, Pb, Cu, Zn and As in effluent water and at the first downstream site, with high correlation factors between elements in particulate fraction, indicating their common behaviour, governed by the formation of ferri(hydr)oxides (co)precipitates. In-situ speciation by the DGT technique revealed that Zn, Cd, Ni, Co, Mn and U were predominantly present as a labile, potentially bioavailable fraction (>90%). The formation of strong complexes with dissolved organic matter (DOM) resulted in a relatively low DGT-labile concentration of Cu (42%), while low DGT-labile concentrations of Fe (5%) and Pb (12%) were presumably caused by their existence in colloidal (particulate) fraction which is not accessible to DGT. Except for Fe and Pb, a very good agreement between DGT-labile concentrations and those predicted by the applied speciation model was obtained, with an average correlation factor of 0.96. This study showed that the in-situ DGT technique in combination with model-predicted speciation and classical analysis of samples could provide a reasonable set of data for the assessment of the water quality status (WQS), as well as for the more general study of overall behaviour of the elements in natural waters subjected to high element loads. Copyright © 2014 Elsevier B.V. All rights reserved.

The Abundances of the Fe Group Elements in Early B Stars in the Magellanic Clouds and Bridge

NASA Astrophysics Data System (ADS)

Peters, Geraldine J.; Adelman, Saul J.

2016-01-01

The abundances of three Fe Group elements (V, Cr, and Fe) in 9 early main-sequence band B stars in the LMC, 7 in the SMC , and two in the Magellanic Bridge have been determined from archival FUSE observations and the Hubeny/Lanz NLTE programs TLUSTY/SYNSPEC. Lines from the Fe group elements, except for a few weak multiplets of Fe III, are not observable in the optical spectral region. The best set of lines in the FUSE spectral region are Fe III (UV1), V III 1150 Å, and Cr III 1137 Å. The abundances of these elements in early B stars are a marker for recent SNe Ia activity, as a single exploding white dwarf can deliver 0.5 solar masses of Ni-56 that decays into Fe to the ISM. The Fe group abundances in an older population of stars primarily reflect SNe II activity, in which a single explosion delivers only 0.07 solar masses of Ni-56 to the ISM (the rest remains trapped in the neutron star). The abundances of the Fe group elements in early B stars not only track SNe Ia activity but are also important for computing evolutionary tracks for massive stars. In general, the Fe abundance relative to the sun's value is comparable to the mean abundances for the lighter elements in the Clouds/Bridge but the values of [V,Cr/Fe]sun are smaller. This presentation will discuss the spatial distribution of the Fe Group elements in the Magellanic Clouds, and compare it with our galaxy in which the abundance of Fe declines with radial distance from the center. Support from NASA grants NAG5-13212, NNX10AD66G, STScI HST-GO-13346.22, and USC's Women in Science and Engineering (WiSE) program is greatly appreciated.

Improve oxidation resistance at high temperature by nanocrystalline surface layer

NASA Astrophysics Data System (ADS)

Xia, Z. X.; Zhang, C.; Huang, X. F.; Liu, W. B.; Yang, Z. G.

2015-08-01

An interesting change of scale sequence occurred during oxidation of nanocrystalline surface layer by means of a surface mechanical attrition treatment. The three-layer oxide structure from the surface towards the matrix is Fe3O4, spinel FeCr2O4 and corundum (Fe,Cr)2O3, which is different from the typical two-layer scale consisted of an Fe3O4 outer layer and an FeCr2O4 inner layer in conventional P91 steel. The diffusivity of Cr, Fe and O is enhanced concurrently in the nanocrystalline surface layer, which causes the fast oxidation in the initial oxidation stage. The formation of (Fe,Cr)2O3 inner layer would inhabit fast diffusion of alloy elements in the nanocrystalline surface layer of P91 steel in the later oxidation stage, and it causes a decrease in the parabolic oxidation rate compared with conventional specimens. This study provides a novel approach to improve the oxidation resistance of heat resistant steel without changing its Cr content.

Accounting for spatial variation of trabecular anisotropy with subject-specific finite element modeling moderately improves predictions of local subchondral bone stiffness at the proximal tibia.

PubMed

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.

Combined magnetic vector-scalar potential finite element computation of 3D magnetic field and performance of modified Lundell alternators in Space Station applications. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Wang, Ren H.

1991-01-01

A method of combined use of magnetic vector potential (MVP) based finite element (FE) formulations and magnetic scalar potential (MSP) based FE formulations for computation of three-dimensional (3D) magnetostatic fields is developed. This combined MVP-MSP 3D-FE method leads to considerable reduction by nearly a factor of 3 in the number of unknowns in comparison to the number of unknowns which must be computed in global MVP based FE solutions. This method allows one to incorporate portions of iron cores sandwiched in between coils (conductors) in current-carrying regions. Thus, it greatly simplifies the geometries of current carrying regions (in comparison with the exclusive MSP based methods) in electric machinery applications. A unique feature of this approach is that the global MSP solution is single valued in nature, that is, no branch cut is needed. This is again a superiority over the exclusive MSP based methods. A Newton-Raphson procedure with a concept of an adaptive relaxation factor was developed and successfully used in solving the 3D-FE problem with magnetic material anisotropy and nonlinearity. Accordingly, this combined MVP-MSP 3D-FE method is most suited for solution of large scale global type magnetic field computations in rotating electric machinery with very complex magnetic circuit geometries, as well as nonlinear and anisotropic material properties.

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].

Free and forced vibrations of a tyre using a wave/finite element approach

NASA Astrophysics Data System (ADS)

Waki, Y.; Mace, B. R.; Brennan, M. J.

2009-06-01

Free and forced vibrations of a tyre are predicted using a wave/finite element (WFE) approach. A short circumferential segment of the tyre is modelled using conventional finite element (FE) methods, a periodicity condition applied and the mass and stiffness matrices post-processed to yield wave properties. Since conventional FE methods are used, commercial FE packages and existing element libraries can be utilised. An eigenvalue problem is formulated in terms of the transfer matrix of the segment. Zhong's method is used to improve numerical conditioning. The eigenvalues and eigenvectors give the wavenumbers and wave mode shapes, which in turn define transformations between the physical and wave domains. A method is described by which the frequency dependent material properties of the rubber components of the tyre can be included without the need to remesh the structure. Expressions for the forced response are developed which are numerically well-conditioned. Numerical results for a smooth tyre are presented. Dispersion curves for real, imaginary and complex wavenumbers are shown. The propagating waves are associated with various forms of motion of the tread supported by the stiffness of the side wall. Various dispersion phenomena are observed, including curve veering, non-zero cut-off and waves for which the phase velocity and the group velocity have opposite signs. Results for the forced response are compared with experimental measurements and good agreement is seen. The forced response is numerically determined for both finite area and point excitations. It is seen that the size of area of the excitation is particularly important at high frequencies. When the size of the excitation area is small enough compared to the tread thickness, the response at high frequencies becomes stiffness-like (reactive) and the effect of shear stiffness becomes important.

Power flow as a complement to statistical energy analysis and finite element analysis

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1987-01-01

Present methods of analysis of the structural response and the structure-borne transmission of vibrational energy use either finite element (FE) techniques or statistical energy analysis (SEA) methods. The FE methods are a very useful tool at low frequencies where the number of resonances involved in the analysis is rather small. On the other hand SEA methods can predict with acceptable accuracy the response and energy transmission between coupled structures at relatively high frequencies where the structural modal density is high and a statistical approach is the appropriate solution. In the mid-frequency range, a relatively large number of resonances exist which make finite element method too costly. On the other hand SEA methods can only predict an average level form. In this mid-frequency range a possible alternative is to use power flow techniques, where the input and flow of vibrational energy to excited and coupled structural components can be expressed in terms of input and transfer mobilities. This power flow technique can be extended from low to high frequencies and this can be integrated with established FE models at low frequencies and SEA models at high frequencies to form a verification of the method. This method of structural analysis using power flo and mobility methods, and its integration with SEA and FE analysis is applied to the case of two thin beams joined together at right angles.

Integration of system identification and finite element modelling of nonlinear vibrating structures

NASA Astrophysics Data System (ADS)

Cooper, Samson B.; DiMaio, Dario; Ewins, David J.

2018-03-01

The Finite Element Method (FEM), Experimental modal analysis (EMA) and other linear analysis techniques have been established as reliable tools for the dynamic analysis of engineering structures. They are often used to provide solutions to small and large structures and other variety of cases in structural dynamics, even those exhibiting a certain degree of nonlinearity. Unfortunately, when the nonlinear effects are substantial or the accuracy of the predicted response is of vital importance, a linear finite element model will generally prove to be unsatisfactory. As a result, the validated linear FE model requires further enhancement so that it can represent and predict the nonlinear behaviour exhibited by the structure. In this paper, a pragmatic approach to integrating test-based system identification and FE modelling of a nonlinear structure is presented. This integration is based on three different phases: the first phase involves the derivation of an Underlying Linear Model (ULM) of the structure, the second phase includes experiment-based nonlinear identification using measured time series and the third phase covers augmenting the linear FE model and experimental validation of the nonlinear FE model. The proposed case study is demonstrated on a twin cantilever beam assembly coupled with a flexible arch shaped beam. In this case, polynomial-type nonlinearities are identified and validated with force-controlled stepped-sine test data at several excitation levels.

A facile method to synthesize boron-doped Ni/Fe alloy nano-chains as electrocatalyst for water oxidation

NASA Astrophysics Data System (ADS)

Yang, Yisu; Zhuang, Linzhou; Lin, Rijia; Li, Mengran; Xu, Xiaoyong; Rufford, Thomas E.; Zhu, Zhonghua

2017-05-01

We report a novel magnetic field assisted chemical reduction method for the synthesis of boron-doped Ni/Fe nano-chains as promising catalysts for the oxygen evolution reaction (OER). The boron-doped Ni/Fe nano-chains were synthesised in a one step process at room temperature using NaBH4 as a reducing agent. The addition of boron reduced the magnetic moment of the intermediate synthesis products and produced nano-chains with a high specific surface area of 73.4 m2 g-1. The boron-doped Ni/Fe nano-chains exhibited catalytic performance superior to state-of-the-art Ba0.5Sr0.5Co0.8Fe0.2O3-δ perovskite and RuO2 noble metal oxide catalysts. The mass normalized activity of the boron-doped Ni/Fe nano-chains measured at an overpotential of 0.35 V was 64.0 A g-1, with a Tafel slope of only 40 mV dec-1. The excellent performance of the boron-doped Ni/Fe nano-chains can be attributed to the uniform elemental distribution and highly amorphous structure of the B-doped nano-chains. These results provide new insights into the effect of doping transition-metal based OER catalysts with non-metallic elements. The study demonstrates a facile approach to prepare transition metal nano-chains using magnetic field assisted chemical reduction method as cheap and highly active catalysts for electrochemical water oxidation.

Laser ablation-laser induced breakdown spectroscopy for the measurement of total elemental concentration in soils.

PubMed

Pareja, Jhon; López, Sebastian; Jaramillo, Daniel; Hahn, David W; Molina, Alejandro

2013-04-10

The performances of traditional laser-induced breakdown spectroscopy (LIBS) and laser ablation-LIBS (LA-LIBS) were compared by quantifying the total elemental concentration of potassium in highly heterogeneous solid samples, namely soils. Calibration curves for a set of fifteen samples with a wide range of potassium concentrations were generated. The LA-LIBS approach produced a superior linear response different than the traditional LIBS scheme. The analytical response of LA-LIBS was tested with a large set of different soil samples for the quantification of the total concentration of Fe, Mn, Mg, Ca, Na, and K. Results showed an acceptable linear response for Ca, Fe, Mg, and K while poor signal responses were found for Na and Mn. Signs of remaining matrix effects for the LA-LIBS approach in the case of soil analysis were found and discussed. Finally, some improvements and possibilities for future studies toward quantitative soil analysis with the LA-LIBS technique are suggested.

Linearized Flux Evolution (LiFE): A technique for rapidly adapting fluxes from full-physics radiative transfer models

NASA Astrophysics Data System (ADS)

Robinson, Tyler D.; Crisp, David

2018-05-01

Solar and thermal radiation are critical aspects of planetary climate, with gradients in radiative energy fluxes driving heating and cooling. Climate models require that radiative transfer tools be versatile, computationally efficient, and accurate. Here, we describe a technique that uses an accurate full-physics radiative transfer model to generate a set of atmospheric radiative quantities which can be used to linearly adapt radiative flux profiles to changes in the atmospheric and surface state-the Linearized Flux Evolution (LiFE) approach. These radiative quantities describe how each model layer in a plane-parallel atmosphere reflects and transmits light, as well as how the layer generates diffuse radiation by thermal emission and by scattering light from the direct solar beam. By computing derivatives of these layer radiative properties with respect to dynamic elements of the atmospheric state, we can then efficiently adapt the flux profiles computed by the full-physics model to new atmospheric states. We validate the LiFE approach, and then apply this approach to Mars, Earth, and Venus, demonstrating the information contained in the layer radiative properties and their derivatives, as well as how the LiFE approach can be used to determine the thermal structure of radiative and radiative-convective equilibrium states in one-dimensional atmospheric models.

Iron Partitioning in Ferropericlase and Consequences for the Magma Ocean.

NASA Astrophysics Data System (ADS)

Braithwaite, J. W. H.; Stixrude, L. P.; Holmstrom, E.; Pinilla, C.

2016-12-01

The relative buoyancy of crystals and liquid is likely to exert a strong influence on the thermal and chemical evolution of the magma ocean. Theory indicates that liquids approach, but do not exceed the density of iso-chemical crystals in the deep mantle. The partitioning of heavy elements, such as Fe, is therefore likely to control whether crystals sink or float. While some experimental results exist, our knowledge of silicate liquid-crystal element partitioning is still limited in the deep mantle. We have developed a method for computing the Mg-Fe partitioning of Fe in such systems. We have focused initially on ferropericlase, as a relatively simple system where the buoyancy effects of Fe partitioning are likely to be large. The method is based on molecular dynamics driven by density functional theory (spin polarized, PBEsol+U). We compute the free energy of Mg for Fe substitution in simulations of liquid and B1 crystalline phases via adiabatic switching. We investigate the dependence of partitioning on pressure, temperature, and iron concentration. We find that the liquid is denser than the coexisting crystalline phase at all conditions studies. We also find that the high-spin to low-spin transition in the crystal and the liquid, have an important influence on partitioning behavior.

Characteristics and anticorrosion performance of Fe-doped TiO2 films by liquid phase deposition method

NASA Astrophysics Data System (ADS)

Liu, Yu; Xu, Chao; Feng, ZuDe

2014-09-01

Fe-doped TiO2 thin films were fabricated by liquid phase deposition (LPD) method, using Fe(III) nitrate as both Fe element source and fluoride scavenger instead of commonly-used boric acid (H3BO3). Scanning electron microscopy (SEM), X-ray diffraction (XRD), and UV-vis spectrum were employed to examine the effects of Fe element on morphology, structure and optical characteristics of TiO2 films. The as-prepared films were served as photoanode applied to photogenerated cathodic protection of SUS304 stainless steel (304SS). It was observed that the photoelectrochemical properties of the as-prepared films were enhanced with the addition of Fe element compared to the undoped TiO2 film. The highest photoactivity was achieved for Ti13Fe (Fe/Ti = 3 molar ratio) film prepared in precursor bath containing 0.02 M TiF4 + 0.06 M Fe(NO3)3 under white-light illumination. The effective anticorrosion behaviors can be attributed to the Fe element incorporation which decreases the probability of photogenerated charge-carrier recombination and extends the light response range of Fe-doped TiO2 films appeared to visible-light region.

A CAD Approach to Integrating NDE With Finite Element

NASA Technical Reports Server (NTRS)

Abdul-Aziz, Ali; Downey, James; Ghosn, Louis J.; Baaklini, George Y.

2004-01-01

Nondestructive evaluation (NDE) is one of several technologies applied at NASA Glenn Research Center to determine atypical deformities, cracks, and other anomalies experienced by structural components. NDE consists of applying high-quality imaging techniques (such as x-ray imaging and computed tomography (CT)) to discover hidden manufactured flaws in a structure. Efforts are in progress to integrate NDE with the finite element (FE) computational method to perform detailed structural analysis of a given component. This report presents the core outlines for an in-house technical procedure that incorporates this combined NDE-FE interrelation. An example is presented to demonstrate the applicability of this analytical procedure. FE analysis of a test specimen is performed, and the resulting von Mises stresses and the stress concentrations near the anomalies are observed, which indicates the fidelity of the procedure. Additional information elaborating on the steps needed to perform such an analysis is clearly presented in the form of mini step-by-step guidelines.

Micro-PIXE investigation of bean seeds to assist micronutrient biofortification

NASA Astrophysics Data System (ADS)

Cvitanich, Cristina; Przybyłowicz, Wojciech J.; Mesjasz-Przybyłowicz, Jolanta; Blair, Matthew W.; Astudillo, Carolina; Orłowska, Elżbieta; Jurkiewicz, Anna M.; Jensen, Erik Ø.; Stougaard, Jens

2011-10-01

This study compares the distribution and concentrations of micro- and macronutrients in different bean cultivars with the aim of optimizing the biofortification, a sustainable approach towards improving dietary quality. Micro-PIXE was used to reveal the distribution of Fe, Zn, Mn, Ca, P, S in seeds of common beans (Phaseolus vulgaris) and runner beans (Phaseolus coccineus). Average concentrations of elements in different tissues were obtained using ICP-AES. The highest concentrations of Zn in the studied beans were found in the embryonic axis, but an increased concentration of this element was also detected in the provascular bundles of the cotyledons. The first layer of cells surrounding provascular bundles accumulated high concentrations of Fe, while the next cell layer had an increased concentration of Mn. The analysis showed that the provascular bundles and the first cell layers surrounding them could have a significant role in the storage of important seed micronutrients - Zn, Fe, and Mn. This information has important implications for molecular biology studies aimed at seed biofortification.

User manual for EXCALIBUR: A FE-BI numerical laboratory for cavity-backed antennas in a circular cylinder, version 1.2

NASA Technical Reports Server (NTRS)

Kempel, Leo C.

1994-01-01

The Finite Element-Boundary Integral (FE-BI) technique was used to analyze the scattering and radiation properties of cavity-backed patch antennas recessed in a metallic groundplane. A program, CAVITY3D, was written and found to yield accurate results for large arrays without the usual high memory and computational demand associated with competing formulations. Recently, the FE-BI approach was extended to cavity-backed antennas recessed in an infinite, metallic circular cylinder. EXCALIBUR is a computer program written in the Radiation Laboratory of the University of Michigan which implements this formulation. This user manual gives a brief introduction to EXCALIBUR and some hints as to its proper use. As with all computational electromagnetics programs (especially finite element programs), skilled use and best performance are only obtained through experience. However, several important aspects of the program such as portability, geometry generation, interpretation of results, and custom modification are addressed.

Finite element analysis of gradient z-coil induced eddy currents in a permanent MRI magnet.

PubMed

Li, Xia; Xia, Ling; Chen, Wufan; Liu, Feng; Crozier, Stuart; Xie, Dexin

2011-01-01

In permanent magnetic resonance imaging (MRI) systems, pulsed gradient fields induce strong eddy currents in the conducting structures of the magnet body. The gradient field for image encoding is perturbed by these eddy currents leading to MR image distortions. This paper presents a comprehensive finite element (FE) analysis of the eddy current generation in the magnet conductors. In the proposed FE model, the hysteretic characteristics of ferromagnetic materials are considered and a scalar Preisach hysteresis model is employed. The developed FE model was applied to study gradient z-coil induced eddy currents in a 0.5 T permanent MRI device. The simulation results demonstrate that the approach could be effectively used to investigate eddy current problems involving ferromagnetic materials. With the knowledge gained from this eddy current model, our next step is to design a passive magnet structure and active gradient coils to reduce the eddy current effects. Copyright © 2010 Elsevier Inc. All rights reserved.

EIT image reconstruction based on a hybrid FE-EFG forward method and the complete-electrode model.

PubMed

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.

FE Modelling of the Fluid-Structure-Acoustic Interaction for the Vocal Folds Self-Oscillation

NASA Astrophysics Data System (ADS)

Švancara, Pavel; Horáček, J.; Hrůza, V.

The flow induced self-oscillation of the human vocal folds in interaction with acoustic processes in the simplified vocal tract model was explored by three-dimensional (3D) finite element (FE) model. Developed FE model includes vocal folds pretension before phonation, large deformations of the vocal fold tissue, vocal folds contact, fluid-structure interaction, morphing the fluid mesh according the vocal folds motion (Arbitrary Lagrangian-Eulerian approach), unsteady viscous compressible airflow described by the Navier-Stokes equations and airflow separation during the glottis closure. Iterative partitioned approach is used for modelling the fluid-structure interaction. Computed results prove that the developed model can be used for simulation of the vocal folds self-oscillation and resulting acoustic waves. The developed model enables to numerically simulate an influence of some pathological changes in the vocal fold tissue on the voice production.

Effects of dietary zinc, iron, and copper in layer feed on distribution of these elements in eggs, liver, excreta, soil, and herbage.

PubMed

Skrivan, M; Skrivanová, V; Marounek, M

2005-10-01

An experiment was conducted to evaluate the effect of dietary content and combinations of Zn, Fe, and Cu on deposition of these elements in egg components, liver, and excreta. Excreta were applied as a manure to a lawn, and 3 mo later soil and herbage samples were taken and analyzed. The experiment comprised 144 hens in 8 groups. The basal diet contained Zn, Fe, and Cu at 63.4, 92.8, and 9.0 mg/kg, respectively. It was supplemented with 1, 2, or 3 trace elements (inorganic forms) at 80 mg of Zn/kg, 120 mg of Fe/kg, and 25 mg of Cu/kg. Recovery of Zn, Fe, and Cu in eggs of hens fed the basal diet was 10.7, 9.8, and 4.4% of the alimentary intake, respectively. A Zn-Cu antagonism was observed; deposition of Zn in the yolk was significantly decreased by Cu addition and vice versa (P < 0.01). Supplementation of the basal diet with Fe increased Fe concentration in egg yolk and white by 6.3 and 2.2%, respectively. The combination of Fe with Zn and Cu, however, increased Fe concentration in the yolk and white by 36.7 and 34.9%, respectively (P < 0.01). The enrichment of eggs with the other elements was marginal (Cu) or absent (Zn). Effects of Zn, Fe, and Cu of the basal diet on liver concentrations of these elements were relatively small, and no antagonism between Zn and Cu was apparent. Supplementation of the basal diet with the combination of Zn and Fe, however, significantly decreased hepatic concentration of Cu. On the other hand, Cu supplementation significantly increased Fe concentration in livers of hens fed the Fe-supplemented diet (P < 0.01). Concentrations of Zn, Fe, and Cu in excreta were related to their dietary content. High concentrations of Zn, Fe, and Cu in excreta corresponded with limited deposition of the 3 elements in eggs and liver. Concentrations of Zn, Fe, and Cu in herbage correlated significantly with the supply of these elements by hen excreta into soil. The Zn supplied by hen excreta was more stable than Fe and Cu; thus Zn could accumulate in the soil.

Controls on Fe(II)-Activated Trace Element Release from Goethite and Hematite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frierdich, Andrew J.; Catalano, Jeffrey G.

2012-03-26

Electron transfer and atom exchange (ETAE) between aqueous Fe(II) and Fe(III) oxides induces surface growth and dissolution that affects trace element fate and transport. We have recently demonstrated Ni(II) cycling through goethite and hematite (adsorbed Ni incorporates into the mineral structure and preincorporated Ni releases to solution) during Fe(II)-Fe(III) ETAE. However, the chemical parameters affecting net trace element release remain unknown. Here, we examine the chemical controls on Ni(II) and Zn(II) release from Ni- and Zn-substituted goethite and hematite during reaction with Fe(II). Release follows a rate law consistent with surface reaction limited mineral dissolution and suggests that release occursmore » near sites of Fe(III) reductive dissolution during Fe(II)-Fe(III) ETAE. Metal substituent type affects reactivity; Zn release is more pronounced from hematite than goethite, whereas the opposite trend occurs for Ni. Buildup of Ni or Zn in solution inhibits further release but this resumes upon fluid exchange, suggesting that sustained release is possible under flow conditions. Mineral and aqueous Fe(II) concentrations as well as pH strongly affect sorbed Fe(II) concentrations, which directly control the reaction rates and final metal concentrations. Our results demonstrate that structurally incorporated trace elements are mobilized from iron oxides into fluids without abiotic or microbial net iron reduction. Such release may affect micronutrient availability, contaminant transport, and the distribution of redox-inactive trace elements in natural and engineered systems.« less

Chalcophile element partitioning in highly oxidised and highly reduced bodies.

NASA Astrophysics Data System (ADS)

Kiseeva, K.; Wood, B. J.

2015-12-01

In our recent studies [1-3] we showed that partitioning of many chalcophile elements could be described by a simple relationship as a function of the FeO content of the silicate liquid. LogDi ~= A-0.5nlog[FeO] where A is a constant, n is the constant related to the valency of element i and [FeO] is the concentration of FeO in the silicate melt. For many chalcophile and moderately chalcophile elements (e.g., Zn, Cr, Pb, Sb, In), the fitted slope n depends only on the valency of the element. More lithophile elements (e.g., Ti, Nb, Ce, Ga) exhibit concave upwards behavior on a plot of logD versus log[FeO] due to their strong interaction with oxygen in sulphide, which increases with the increasing FeO content of the silicate liquid. Strongly chalcophile elements, like Cu, Ag and Ni have the opposite trend (concave downwards) and their D decreases both at high (> 10-12wt %) and very low (< 1wt%) FeO contents of the silicate melt. These changes correlate with increasing S content of the silicate melt (up to 11 wt%) as the FeO content of the silicate melt declines to ~0.3wt%. An experiment at 1.5 GPa/1420oC having 4 wt% S and 0.28 wt% FeO in the silicate melt has DCu (sulf/sil) ~ 84, which is about 6 times lower than the DCu(sulf/sil) at identical p-T conditions but at 8 wt% FeO in the silicate melt. Our new experimental data on Re partitioning between sulphide and silicate melt in the CMAS+FeO system show that Re behaves similarly to the highly chalcophile elements and exhibits concave downwards behaviour on the LogD/LogFeO diagram. With the highest DRe (sulf/sil) at around 1.5-2.0x104 at 1.5-6.0 wt% FeO in the silicate melt, DRe (sulf/sil) declines to the values of 50-150 at ~0.5 wt% and > ~15 wt% FeO in the silicate melt, respectively. This means that at highly reducing conditions Re is similarly or less chalcophile than some of the highly lithophile elements, like Ta (D ≈ 9), Nb (D ≈ 600), Ti (D ≈ 6) [3]. The results mean that in oxidised bodies like Mars and reduced bodies like Mercury, most "lithophile" elements partition more strongly into sulphide than Re and Cu. [1] Kiseeva E. S., Wood B. J. (2013). EPSL 383, p. 68-81. [2] Kiseeva E. S., Wood B. J. (2015). EPSL 424, p. 280-294. [3] Wood B. J., Kiseeva E. S. (2015). AmMin (in press).

Fe/Co doped molybdenum diselenide: a promising two-dimensional intermediate-band photovoltaic material.

PubMed

Zhang, Jiajia; He, Haiyan; Pan, Bicai

2015-05-15

An intermediate-band (IB) photovoltaic material is an important candidate in developing the new-generation solar cell. In this paper, we propose that the Fe-doped or the Co-doped MoSe2 just meets the required features in IB photovoltaic materials. Our calculations demonstrate that when the concentration of the doped element reaches 11.11%, the doped MoSe2 shows a high absorptivity for both infrared and visible light, where the photovoltaic efficiency of the doped MoSe2 is as high as 56%, approaching the upper limit of photovoltaic efficiency of IB materials. So, the Fe- or Co-doped MoSe2 is a promising two-dimensional photovoltaic material.

A novel approach for extracting viscoelastic parameters of living cells through combination of inverse finite element simulation and Atomic Force Microscopy.

PubMed

Wei, Fanan; Yang, Haitao; Liu, Lianqing; Li, Guangyong

2017-03-01

Dynamic mechanical behaviour of living cells has been described by viscoelasticity. However, quantitation of the viscoelastic parameters for living cells is far from sophisticated. In this paper, combining inverse finite element (FE) simulation with Atomic Force Microscope characterization, we attempt to develop a new method to evaluate and acquire trustworthy viscoelastic index of living cells. First, influence of the experiment parameters on stress relaxation process is assessed using FE simulation. As suggested by the simulations, cell height has negligible impact on shape of the force-time curve, i.e. the characteristic relaxation time; and the effect originates from substrate can be totally eliminated when stiff substrate (Young's modulus larger than 3 GPa) is used. Then, so as to develop an effective optimization strategy for the inverse FE simulation, the parameters sensitivity evaluation is performed for Young's modulus, Poisson's ratio, and characteristic relaxation time. With the experiment data obtained through typical stress relaxation measurement, viscoelastic parameters are extracted through the inverse FE simulation by comparing the simulation results and experimental measurements. Finally, reliability of the acquired mechanical parameters is verified with different load experiments performed on the same cell.

Behavior of Industrial Steel Rack Connections

NASA Astrophysics Data System (ADS)

Shah, S. N. R.; Ramli Sulong, N. H.; Khan, R.; Jumaat, M. Z.; Shariati, M.

2016-03-01

Beam-to-column connections (BCCs) used in steel pallet racks (SPRs) play a significant role to maintain the stability of rack structures in the down-aisle direction. The variety in the geometry of commercially available beam end connectors hampers the development of a generalized analytic design approach for SPR BCCs. The experimental prediction of flexibility in SPR BCCs is prohibitively expensive and difficult for all types of commercially available beam end connectors. A suitable solution to derive a particular uniform M-θ relationship for each connection type in terms of geometric parameters may be achieved through finite element (FE) modeling. This study first presents a comprehensive description of the experimental investigations that were performed and used as the calibration bases for the numerical study that constituted its main contribution. A three dimensioned (3D) non-linear finite element (FE) model was developed and calibrated against the experimental results. The FE model took into account material nonlinearities, geometrical properties and large displacements. Comparisons between numerical and experimental data for observed failure modes and M-θ relationship showed close agreement. The validated FE model was further extended to perform parametric analysis to identify the effects of various parameters which may affect the overall performance of the connection.

Concretionary manganese-iron oxides in streams and their usefulness as a sample medium for geochemical prospecting

USGS Publications Warehouse

Nowlan, G.A.

1976-01-01

Correlation studies of 400 samples of sieved stream sediments and 325 samples of fluvial, concretionary Mn-Fe oxides from Maine resulted in the separation of elements into the following categories: (1) elements not scavenged by Mn-Fe oxides - B, Cr, K, Mg, Rb, Sc, Ti, V, and Zr; (2) elements probably not scavenged by Mn-Fe oxides - Ag, Be, Ca, Ga, La, Sb, and Y; (3) elements scavenged weakly by Mn-Fe oxides - Cu, Mo, Pb, and Sr; (4) elements scavenged strongly by Mn oxides - Ba, Cd, Co, Ni, Tl, and Zn; and (5) elements scavenged strongly by Fe oxides - As and In. Studies of the scavenged elements showed that the deviation from the mean is characteristically greater in oxide samples as compared to sieved sediments from the same locality. However, a significant increase in contrast between anomalous and background localities, when oxides are the sample medium, more than offsets the disadvantage of data scatter. The use of oxides as a sampling medium clearly and significantly accentuates anomalous localities. In general, non-ratioed data on oxides give very nearly the same results as data consisting of scavenged elements ratioed to Mn and Fe. However, ratioed data expand the geographic area of specific anomalies. Cd and Zn consistently show strong correlations with concretionary Mn-Fe oxides, but their concentrations in the oxides do not generally show as much contrast between anomalous and background localities as do Cu, Mo, and Pb. These latter elements are strongly scavenged where rocks are mineralized. ?? 1976.

Three-Dimensional Plasma-Based Stall Control Simulations with Coupled First-Principles Approaches

DTIC Science & Technology

2006-07-01

flow code, developed at the Computational Plasma Dynamics Laboratory at Kettering University. The method is based on a versatile finite-element ( FE ...McLaughlin, T., and Baughn, J., 2005. “Acoustic testing of the dielectric barrier dis- charge ( dbd ) plasma actuator”. AIAA Paper 2005-0565, Jan

A Viable Scheme for Elemental Extraction and Purification Using In-Situ Planetary Resources

NASA Technical Reports Server (NTRS)

Sen, S.; Schofield, E.; ODell, S.; Ray, C. S.

2005-01-01

NASA's new strategic direction includes establishing a self-sufficient, affordable and safe human and robotic presence outside the low earth orbit. Some of the items required for a self-sufficient extra-terrestrial habitat will include materials for power generation (e.g. Si for solar cells) and habitat construction (e.g. Al, Fe, and Ti). In this paper we will present a viable elemental extraction and refining process from in-situ regolith which would be optimally continuous, robotically automated, and require a minimum amount of astronaut supervision and containment facilities, The approach is based on using a concentrated heat source and translating sample geometry to enable simultaneous oxide reduction and elemental refining. Preliminary results will be presented to demonstrate that the proposed zone refining process is capable of segregating or refining important elements such as Si (for solar cell fabrication) and Fe (for habitat construction). A conceptual scheme will be presented whereby such a process could be supported by use of solar energy and a precursor robotic mission on the surface of the moon.

Chemical Analysis of a Carbon-enhanced Very Metal-poor Star: CD-27 14351

NASA Astrophysics Data System (ADS)

Karinkuzhi, Drisya; Goswami, Aruna; Masseron, Thomas

2017-01-01

We present, for the first time, an abundance analysis of a very metal-poor carbon-enhanced star CD-27 14351 based on a high-resolution (R ˜ 48,000) FEROS spectrum. Our abundance analysis performed using local thermodynamic equilibrium model atmospheres shows that the object is a cool star with stellar atmospheric parameters, effective temperature Teff = 4335 K, surface gravity log g = 0.5, microturbulence ξ = 2.42 km s-1, and metallicity [Fe/H] = -2.6. The star exhibits high carbon and nitrogen abundances with [C/Fe] = 2.89 and [N/Fe] = 1.89. Overabundances of neutron-capture elements are evident in Ba, La, Ce, and Nd, with estimated [X/Fe] > 1, the largest enhancement being seen in Ce with [Ce/Fe] = 2.63. While the first peak s-process elements Sr and Y are found to be enhanced with respect to Fe, ([Sr/Fe] = 1.73 and [Y/Fe] = 1.91), the third peak s-process element Pb could not be detected in our spectrum at the given resolution. Europium, primarily an r-process element also shows an enhancement with [Eu/Fe] = 1.65. With [Ba/Eu] = 0.12, the object CD-27 14351 satisfies the classification criterion for a CEMP-r/s star. The elemental abundance distributions observed in this star are discussed in light of the chemical abundances observed in other CEMP stars in the literature.

Single walled boron nitride nanotube-based biosensor: an atomistic finite element modelling approach.

PubMed

Panchal, Mitesh B; Upadhyay, Sanjay H

2014-09-01

The unprecedented dynamic characteristics of nanoelectromechanical systems make them suitable for nanoscale mass sensing applications. Owing to superior biocompatibility, boron nitride nanotubes (BNNTs) are being increasingly used for such applications. In this study, the feasibility of single walled BNNT (SWBNNT)-based bio-sensor has been explored. Molecular structural mechanics-based finite element (FE) modelling approach has been used to analyse the dynamic behaviour of SWBNNT-based biosensors. The application of an SWBNNT-based mass sensing for zeptogram level of mass has been reported. Also, the effect of size of the nanotube in terms of length as well as different chiral atomic structures of SWBNNT has been analysed for their sensitivity analysis. The vibrational behaviour of SWBNNT has been analysed for higher-order modes of vibrations to identify the intermediate landing position of biological object of zeptogram scale. The present molecular structural mechanics-based FE modelling approach is found to be very effectual to incorporate different chiralities of the atomic structures. Also, different boundary conditions can be effectively simulated using the present approach to analyse the dynamic behaviour of the SWBNNT-based mass sensor. The presented study has explored the potential of SWBNNT, as a nanobiosensor having the capability of zeptogram level mass sensing.

Mining the Sloan Digital Sky Survey in Search of Extremely α-poor Stars in the Galaxy

NASA Astrophysics Data System (ADS)

Xing, Q. F.; Zhao, G.

2014-07-01

As we know, the majority of metal-poor Galactic halo stars appear to have chemical abundances that were enhanced by α-elements (e.g., O, Mg, Si, Ca, and Ti) during the early stage of the Galaxy. Observed metal-poor halo stars preserved this pattern by exhibiting abundance ratios [α/Fe] ~+0.4. A few striking exceptions that show severe departures from the general enhanced α-element chemical abundance trends of the halo have been discovered in recent years. They possess relatively low [α/Fe] compared to other comparable-metallicity stars, with abundance ratios over 0.5 dex lower. These stars may have a different chemical enrichment history from the majority of the halo. Similarly, low-α abundances are also displayed by satellite dwarf spheroidal (dSph) galaxies. We present a method to select extremely α-poor (EAP) stars from the SDSS/SEGUE survey. The method consists of a two-step approach. In the first step, we select suspected metal-poor ([Fe/H] <-0.5) and α-poor ([Mg/Fe] <0) stars as our targets. In the second step, we determine [Mg/Fe] from low-resolution (R = 2000) stellar spectra for our targets and select stars with [Mg/Fe] <-0.1 as candidate EAP stars. In a sample of 40,000 stars with atmospheric parameters in the range of T eff = [4500, 7000] K, log g = [1.0, 5.0], and [Fe/H] = [-4.0, +0.5], 14 candidate stars were identified. Three of these stars are found to have already been confirmed by other research.

Sulphursoil - Delano Development Corporation

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

1985-06-01

A sizable amount of technical information has been accumulated on the effects of agricultural applications of the natural mineral product called Sul-Fe. This technical information supports the field observations of farmers, landscapers and gardeners who have used the product. Sul-Fe is often evaluated in terms of its sulphur content alone. When compared to elemental sulphur (100% sulphur), the 18 to 21% sulphur content of Sul-Fe seems relatively low. However, as the following technical data indicates, when judged on actual effects, Sul-Fe's complex mixture of minerals has several advantages over elemental sulphur. When judged on the basis of soil acidulation, Sul-Femore » has more immediate effects than elemental sulphur. The rapid acidifying effect is due to Sul-Fe's content of crystalline sulphuric acid. Sul-Fe also has long-term effects on soil pH due to its content of sulphur and sulfides and the time required to oxidize these materials. Elemental sulphur contains sulphur in only one chemical form which must be microbially oxidized before it becomes reactive in the soil solution, a reaction that takes quite some time in some soils. Sul-Fe is thus better than elemental sulphur in terms of immediate effects and comparable in terms of long term effects. Applied blends of Sul-Fe supplemented with elemental sulphur may provide for a maximization of both short and long term effects. An additional benefit derived from the use of Sul-Fe is the addition to the soil of a variety of trace nutrients including iron, calcium, zinc, copper, manganese, magnesium, and molybdenum.« less

Radiative Rates for Forbidden Transitions in Doubly-Ionized Fe-Peak Elements

NASA Astrophysics Data System (ADS)

Fivet, Vanessa; Quinet, P.; Bautista, M.

2012-05-01

Accurate and reliable atomic data for lowly-ionized Fe-peak species (Sc, Ti, V, Cr, Mn, Fe, Co, Ni and Cu) are of paramount importance for the analysis of the high resolution astrophysical spectra currently available. The third spectra of several iron group elements have been observed in different galactic sources like Herbig-Haro objects in the Orion Nebula [1] and stars like Eta Carinae [2]. However, forbidden transitions between low-lying metastable levels of doubly-ionized iron-peak ions have been very little investigated so far and radiative rates for those lines remain sparse or inexistent. We are carrying out a systematic study of the electronic structure of doubly-ionized iron-peak elements. The magnetic dipole (M1) and electric quadrupole (E2) transition probabilities are computed using the pseudo-relativistic Hartree-Fock (HFR) code of Cowan [3] and the central Thomas-Fermi-Dirac potential approximation implemented in AUTOSTRUCTURE [4]. This multi-platform approach allows for consistency checks and intercomparison and has proven very successful in the study of the complex Fe-peak species where many different effects contribute [5]. References [1] A. Mesa-Delgado et al., MNRAS 395 (2009) 855 [2] S. Johansson et al., A&A 361 (2000) 977 [3] R.D. Cowan, The Theory of Atomic Structure and Spectra, Berkeley: Univ. California Press (1981) [4] N.R. Badnell, J. Phys. B: At. Mol. Opt. Phys. 30 (1997) 1 [5] M. Bautista et al., ApJ 718 (2010) L189

Patient-specific finite element modeling for femoral bone augmentation

PubMed Central

Basafa, Ehsan; Armiger, Robert S.; Kutzer, Michael D.; Belkoff, Stephen M.; Mears, Simon C.; Armand, Mehran

2015-01-01

The aim of this study was to provide a fast and accurate finite element (FE) modeling scheme for predicting bone stiffness and strength suitable for use within the framework of a computer-assisted osteoporotic femoral bone augmentation surgery system. The key parts of the system, i.e. preoperative planning and intraoperative assessment of the augmentation, demand the finite element model to be solved and analyzed rapidly. Available CT scans and mechanical testing results from nine pairs of osteoporotic femur bones, with one specimen from each pair augmented by polymethylmethacrylate (PMMA) bone cement, were used to create FE models and compare the results with experiments. Correlation values of R2 = 0.72–0.95 were observed between the experiments and FEA results which, combined with the fast model convergence (~3 min for ~250,000 degrees of freedom), makes the presented modeling approach a promising candidate for the intended application of preoperative planning and intraoperative assessment of bone augmentation surgery. PMID:23375663

A novel method for vanadium slag comprehensive utilization to synthesize Zn-Mn ferrite and Fe-V-Cr alloy.

PubMed

Liu, Shi-Yuan; Li, Shu-Jin; Wu, Shun; Wang, Li-Jun; Chou, Kuo-Chih

2018-07-15

Vanadium slag is a by-product from steelmaking process of vanadium-titanium magnetite, which mainly contains FeO, MnO, V 2 O 3 , and Cr 2 O 3 , The elements Fe and Mn are major components of Mn-Zn ferrite. The elements V and Cr are major components of V-Cr alloy. In view of the potential application in these study, a Mn 0.8 Zn 0.2 Fe 2 O 4 of high saturation magnetization (Ms = 68.6 emu/g) and low coercivity (Hc = 3.3 Oe) was successfully synthesized from the leaching solutions of vanadium slag by adding appropriate chemical reagents, ZnCl 2 and MnCl 2 ·4H 2 O, via roasting at 1300 °C for 1 h. The minor components (CaO and SiO 2 ) in the leaching solution of vanadium slag segregated to the grain boundaries resulting in increasing the resistivity of ferrite. The value of DC resistivity of Mn 0.8 Zn 0.2 Fe 2 O 4 at 25 °C reached 1230.7Ω m. The residue containing Fe, V and Cr was chlorinated by AlCl 3 and the Fe 3+ , V 3+ , and Cr 3+ ions were released into the NaCl-KCl eutectic. The current-time curve for the electrolysis of molten salt was investigated. Alloy (Fe, V, and Cr) of granular shape was obtained. The residue can be used to produce the mulite. This process provided a new approach to utilize slag from steelmaking. Copyright © 2018 Elsevier B.V. All rights reserved.

Late Reduction Textures in Almahata Sitta Ureilite

NASA Technical Reports Server (NTRS)

Herrin, J. S.; Le, L.; Zolensky, M. E.; Ito, M.; Jenniskens, P.; Shaddad, M. H.

2009-01-01

The Almahata Sitta ureilite, derived from asteroid 2008 TC3, consists of many individual fragments recovered from the Nubian dessert strewn field [1]. Like most ureilites, it contains abundant carbon and exhibits examples of disequilibrium textures that record a late reduction event accompanied by rapid cooling (tens of degC/h) from high temperatures (1150-1300 C). Variations in Fe/Mg of silicate minerals are accompanied by variations in Fe/Mn, indicating loss of Fe into metal [2]. In coarser-grained fragments of Almahata Sitta, olivine exhibits irregular high mg# rims in contact with networks of interstitial metal 5- 20 microns in typical thickness. This is a common ureilite texture thought to be driven by the reaction of graphite to a CO gas phase and the concurrent reduction of FeO in olivine to Fe metal, with excess silica going primarily into pyroxene (2MgFeSiO4 + C approaches MgSiO4 + MgSiO3 + 2Fe + CO) [3, see also 4,5,6]. Other fragments of Almahata Sitta exhibit anomalous textures such as fine grain size, high porosity, and abundant graphite. Within these fragments pyroxene locally exhibits high-mg# rims in contact with metal and a discreet silica phase, suggesting that the reduction mechanism MgFeSi2O6 + C approaches MgSiO3 + Fe + SiO2 + CO. Metals in Almahata Sitta are particularly unaltered in comparison to ureilite finds. Variations in minor and trace element composition of this metal might partly result from localized dilution as iron is supplied by reduction of silicates.

Iron mineral structure, reactivity, and isotopic composition in a South Pacific Gyre ferromanganese nodule over 4 Ma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marcus, Matthew A.; Edwards, Katrina J.; Gueguen, Bleuenn

Deep-sea ferromanganese nodules accumulate trace elements from seawater and underlying sediment porewaters during the growth of concentric mineral layers over millions of years. These trace elements have the potential to record past ocean geochemical conditions. The goal of this study was to determine whether Fe mineral alteration occurs and how the speciation of trace elements responds to alteration over ~3.7Ma of marine ferromanganese nodule (MFN) formation, a timeline constrained by estimates from 9 Be/ 10 Be concentrations in the nodule material. We determined Fe-bearing phases and Fe isotope composition in a South Pacific Gyre (SPG) nodule. Specifically, the distribution patternsmore » and speciation of trace element uptake by these Fe phases were investigated. The time interval covered by the growth of our sample of the nodule was derived from 9 Be/ 10 Be accelerator mass spectrometry (AMS). The composition and distribution of major and trace elements were mapped at various spatial scales, using micro-X-ray fluorescence (μXRF), electron microprobe analysis (EMPA), and inductively coupled plasma mass spectrometry (ICP-MS). Fe phases were characterized by micro-extended X-ray absorption fine structure (μEXAFS) spectroscopy and micro-X-ray diffraction (μXRD). Speciation of Ti and V, associated with Fe, was measured using micro-X-ray absorption near edge structure (μXANES) spectroscopy. Iron isotope composition (δ 56/54 Fe) in subsamples of 1-3mm increments along the radius of the nodule was determined with multiple-collector ICP-MS (MC-ICP-MS). The SPG nodule formed through primarily hydrogeneous inputs at a rate of 4.0±0.4mm/Ma. The nodule exhibited a high diversity of Fe mineral phases: feroxyhite (δ-FeOOH), goethite (α-FeOOH), lepidocrocite (γ-FeOOH), and poorly ordered ferrihydrite-like phases. These findings provide evidence that Fe oxyhydroxides within the nodule undergo alteration to more stable phases over millions of years. Trace Ti and V were spatially correlated with Fe and found to be adsorbed to Fe-bearing minerals. Ti/Fe and V/Fe ratios, and Ti and V speciation, did not vary along the nodule radius. The δ 56/54 Fe values, when averaged over sample increments representing 0.25-0.75Ma, were homogeneous within uncertainty along the nodule radius, at -0.12±0.07‰ (2sd, n=10). Our results indicate that the Fe isotope composition of the nodule remained constant during nodule growth and that mineral alteration did not affect the primary Fe isotope composition of the nodule. Furthermore, the average δ 56/54 Fe value of -0.12‰ we find is consistent with Fe sourced from continental eolian particles (dust). Despite mineral alteration, the trace element partitioning of Ti and V, and Fe isotope composition, do not appear to change within the sensitivity of our measurements. These findings suggest that Fe oxyhydroxides within hydrogenetic ferromanganese nodules are out of geochemical contact with seawater once they are covered by subsequent concentric mineral layers. Even though Fe-bearing minerals are altered, trace element ratios, speciation and Fe isotope composition are preserved within the nodule.« less

Iron mineral structure, reactivity, and isotopic composition in a South Pacific Gyre ferromanganese nodule over 4 Ma

DOE PAGES

Marcus, Matthew A.; Edwards, Katrina J.; Gueguen, Bleuenn; ...

2015-09-05

Deep-sea ferromanganese nodules accumulate trace elements from seawater and underlying sediment porewaters during the growth of concentric mineral layers over millions of years. These trace elements have the potential to record past ocean geochemical conditions. The goal of this study was to determine whether Fe mineral alteration occurs and how the speciation of trace elements responds to alteration over ~3.7Ma of marine ferromanganese nodule (MFN) formation, a timeline constrained by estimates from 9 Be/ 10 Be concentrations in the nodule material. We determined Fe-bearing phases and Fe isotope composition in a South Pacific Gyre (SPG) nodule. Specifically, the distribution patternsmore » and speciation of trace element uptake by these Fe phases were investigated. The time interval covered by the growth of our sample of the nodule was derived from 9 Be/ 10 Be accelerator mass spectrometry (AMS). The composition and distribution of major and trace elements were mapped at various spatial scales, using micro-X-ray fluorescence (μXRF), electron microprobe analysis (EMPA), and inductively coupled plasma mass spectrometry (ICP-MS). Fe phases were characterized by micro-extended X-ray absorption fine structure (μEXAFS) spectroscopy and micro-X-ray diffraction (μXRD). Speciation of Ti and V, associated with Fe, was measured using micro-X-ray absorption near edge structure (μXANES) spectroscopy. Iron isotope composition (δ 56/54 Fe) in subsamples of 1-3mm increments along the radius of the nodule was determined with multiple-collector ICP-MS (MC-ICP-MS). The SPG nodule formed through primarily hydrogeneous inputs at a rate of 4.0±0.4mm/Ma. The nodule exhibited a high diversity of Fe mineral phases: feroxyhite (δ-FeOOH), goethite (α-FeOOH), lepidocrocite (γ-FeOOH), and poorly ordered ferrihydrite-like phases. These findings provide evidence that Fe oxyhydroxides within the nodule undergo alteration to more stable phases over millions of years. Trace Ti and V were spatially correlated with Fe and found to be adsorbed to Fe-bearing minerals. Ti/Fe and V/Fe ratios, and Ti and V speciation, did not vary along the nodule radius. The δ 56/54 Fe values, when averaged over sample increments representing 0.25-0.75Ma, were homogeneous within uncertainty along the nodule radius, at -0.12±0.07‰ (2sd, n=10). Our results indicate that the Fe isotope composition of the nodule remained constant during nodule growth and that mineral alteration did not affect the primary Fe isotope composition of the nodule. Furthermore, the average δ 56/54 Fe value of -0.12‰ we find is consistent with Fe sourced from continental eolian particles (dust). Despite mineral alteration, the trace element partitioning of Ti and V, and Fe isotope composition, do not appear to change within the sensitivity of our measurements. These findings suggest that Fe oxyhydroxides within hydrogenetic ferromanganese nodules are out of geochemical contact with seawater once they are covered by subsequent concentric mineral layers. Even though Fe-bearing minerals are altered, trace element ratios, speciation and Fe isotope composition are preserved within the nodule.« less

Voltage control of magnetic monopoles in artificial spin ice

NASA Astrophysics Data System (ADS)

Chavez, Andres C.; Barra, Anthony; Carman, Gregory P.

2018-06-01

Current research on artificial spin ice (ASI) systems has revealed unique hysteretic memory effects and mobile quasi-particle monopoles controlled by externally applied magnetic fields. Here, we numerically demonstrate a strain-mediated multiferroic approach to locally control the ASI monopoles. The magnetization of individual lattice elements is controlled by applying voltage pulses to the piezoelectric layer resulting in strain-induced magnetic precession timed for 180° reorientation. The model demonstrates localized voltage control to move the magnetic monopoles across lattice sites, in CoFeB, Ni, and FeGa based ASI’s. The switching is achieved at frequencies near ferromagnetic resonance and requires energies below 620 aJ. The results demonstrate that ASI monopoles can be efficiently and locally controlled with a strain-mediated multiferroic approach.

Early Diagenesis of Trace Elements in Modern Fjord Sediments of the High Arctic

NASA Astrophysics Data System (ADS)

Herbert, L.; Riedinger, N.; Aller, R. C.; Jørgensen, B. B.; Wehrmann, L.

2017-12-01

Marine sediments are critical repositories for elements that are only available at trace concentrations in seawater, such as Fe, Mn, Co, Ni, As, Mo, and U. The behavior of these trace elements in the sediment is governed by a dynamic interplay of diagenetic reactions involving organic carbon, Fe and Mn oxides, and sulfur phases. In the Arctic fjords of Svalbard, glacial meltwater delivers large amounts of reactive Fe and Mn oxides to the sediment, while organic carbon is deposited episodically and diluted by lithogenic material. These conditions result in pronounced Fe and Mn cycling, which in turn drives other diagenetic processes such as rapid sulfide oxidation. These conditions make the Svalbard fjords ideal sites for investigating trace element diagenesis because they allow resolution of the interconnections between Fe and Mn dynamics and trace element cycling. In August 2016, we collected sediment cores from three Svalbard fjords and analyzed trace elements in the pore water and solid sediment over the top meter. Initial results reveal the dynamic nature of these fjords, which are dominated by non-steady state processes and episodic events such as meltwater pulses and phytoplankton blooms. Within this system, the distribution of As appears to be strongly linked to the Fe cycle, while Co and Ni follow Mn; thus, these three elements may be released from the sediment through diffusion and bioturbation along with Fe and Mn. The pore water profiles of U and Mo indicate removal processes that are independent from Fe or Mn, and which are rather unexpected given the apparent diagenetic conditions. Our results will help elucidate the processes controlling trace element cycling in a dynamic, glacially impacted environment and will ultimately contribute to our understanding of the role of fjords in the biogeochemical cycling of trace elements in a rapidly changing Arctic Ocean.

High contents of rare earth elements (REEs) in stream waters of a Cu-Pb-Zn mining area.

PubMed

Protano, G; Riccobono, F

2002-01-01

Stream waters draining an old mining area present very high rare earth element (REE) contents, reaching 928 microg/l as the maximum total value (sigmaREE). The middle rare earth elements (MREEs) are usually enriched with respect to both the light (LREEs) and heavy (HREEs) elements of this group, producing a characteristic "roof-shaped" pattern of the shale Post-Archean Australian Shales-normalized concentrations. At the Fenice Capanne Mine (FCM), the most important base metal mine of the study area, the REE source coincides with the mine tailings, mostly the oldest ones composed of iron-rich materials. The geochemical history of the REEs released into Noni stream from wastes in the FCM area is strictly determined by the pH, which controls the REE speciation and in-stream processes. The formation of Al-rich and mainly Fe-rich flocs effectively scavenges the REEs, which are readily and drastically removed from the solution when the pH approaches neutrality. Leaching experiments performed on flocs and waste materials demonstrate that Fe-oxides/oxyhydroxides play a key role in the release of lanthanide elements into stream waters. The origin of the "roof-shaped" REE distribution pattern as well as the peculiar geochemical behavior of some lanthanide elements in the aqueous system are discussed.

Dynamic finite element simulation of dental prostheses during chewing using muscle equivalent force and trajectory approaches.

PubMed

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.

Micro Finite Element models of the vertebral body: Validation of local displacement predictions.

PubMed

Costa, Maria Cristiana; Tozzi, Gianluca; Cristofolini, Luca; Danesi, Valentina; Viceconti, Marco; Dall'Ara, Enrico

2017-01-01

The estimation of local and structural mechanical properties of bones with micro Finite Element (microFE) models based on Micro Computed Tomography images depends on the quality bone geometry is captured, reconstructed and modelled. The aim of this study was to validate microFE models predictions of local displacements for vertebral bodies and to evaluate the effect of the elastic tissue modulus on model's predictions of axial forces. Four porcine thoracic vertebrae were axially compressed in situ, in a step-wise fashion and scanned at approximately 39μm resolution in preloaded and loaded conditions. A global digital volume correlation (DVC) approach was used to compute the full-field displacements. Homogeneous, isotropic and linear elastic microFE models were generated with boundary conditions assigned from the interpolated displacement field measured from the DVC. Measured and predicted local displacements were compared for the cortical and trabecular compartments in the middle of the specimens. Models were run with two different tissue moduli defined from microindentation data (12.0GPa) and a back-calculation procedure (4.6GPa). The predicted sum of axial reaction forces was compared to the experimental values for each specimen. MicroFE models predicted more than 87% of the variation in the displacement measurements (R2 = 0.87-0.99). However, model predictions of axial forces were largely overestimated (80-369%) for a tissue modulus of 12.0GPa, whereas differences in the range 10-80% were found for a back-calculated tissue modulus. The specimen with the lowest density showed a large number of elements strained beyond yield and the highest predictive errors. This study shows that the simplest microFE models can accurately predict quantitatively the local displacements and qualitatively the strain distribution within the vertebral body, independently from the considered bone types.

Dual element (CCl) isotope approach to distinguish abiotic reactions of chlorinated methanes by Fe(0) and by Fe(II) on iron minerals at neutral and alkaline pH.

PubMed

Rodríguez-Fernández, Diana; Heckel, Benjamin; Torrentó, Clara; Meyer, Armin; Elsner, Martin; Hunkeler, Daniel; Soler, Albert; Rosell, Mònica; Domènech, Cristina

2018-05-07

A dual element CCl isotopic study was performed for assessing chlorinated methanes (CMs) abiotic transformation reactions mediated by iron minerals and Fe(0) to further distinguish them in natural attenuation monitoring or when applying remediation strategies in polluted sites. Isotope fractionation was investigated during carbon tetrachloride (CT) and chloroform (CF) degradation in anoxic batch experiments with Fe(0), with FeCl 2 (aq), and with Fe-bearing minerals (magnetite, Mag and pyrite, Py) amended with FeCl 2 (aq), at two different pH values (7 and 12) representative of field and remediation conditions. At pH 7, only CT batches with Fe(0) and Py underwent degradation and CF accumulation evidenced hydrogenolysis. With Py, thiolytic reduction was revealed by CS 2 yield and is a likely reason for different Λ value (Δδ 13 C/Δδ 37 Cl) comparing with Fe(0) experiments at pH 7 (2.9 ± 0.5 and 6.1 ± 0.5, respectively). At pH 12, all CT experiments showed degradation to CF, again with significant differences in Λ values between Fe(0) (5.8 ± 0.4) and Fe-bearing minerals (Mag, 2 ± 1, and Py, 3.7 ± 0.9), probably evidencing other parallel pathways (hydrolytic and thiolytic reduction). Variation of pH did not significantly affect the Λ values of CT degradation by Fe(0) nor Py. CF degradation by Fe(0) at pH 12 showed a Λ (8 ± 1) similar to that reported at pH 7 (8 ± 2), suggesting CF hydrogenolysis as the main reaction and that CF alkaline hydrolysis (13.0 ± 0.8) was negligible. Our data establish a base for discerning the predominant or combined pathways of CMs natural attenuation or for assessing the effectiveness of remediation strategies using recycled minerals or Fe(0). Copyright © 2018 Elsevier Ltd. All rights reserved.

Three-dimensional finite element models of the human pubic symphysis with viscohyperelastic soft tissues.

PubMed

Li, Zuoping; Alonso, Jorge E; Kim, Jong-Eun; Davidson, James S; Etheridge, Brandon S; Eberhardt, Alan W

2006-09-01

Three-dimensional finite element (FE) models of human pubic symphyses were constructed from computed tomography image data of one male and one female cadaver pelvis. The pubic bones, interpubic fibrocartilaginous disc and four pubic ligaments were segmented semi-automatically and meshed with hexahedral elements using automatic mesh generation schemes. A two-term viscoelastic Prony series, determined by curve fitting results of compressive creep experiments, was used to model the rate-dependent effects of the interpubic disc and the pubic ligaments. Three-parameter Mooney-Rivlin material coefficients were calculated for the discs using a heuristic FE approach based on average experimental joint compression data. Similarly, a transversely isotropic hyperelastic material model was applied to the ligaments to capture average tensile responses. Linear elastic isotropic properties were assigned to bone. The applicability of the resulting models was tested in bending simulations in four directions and in tensile tests of varying load rates. The model-predicted results correlated reasonably with the joint bending stiffnesses and rate-dependent tensile responses measured in experiments, supporting the validity of the estimated material coefficients and overall modeling approach. This study represents an important and necessary step in the eventual development of biofidelic pelvis models to investigate symphysis response under high-energy impact conditions, such as motor vehicle collisions.

THE SEGUE STELLAR PARAMETER PIPELINE. V. ESTIMATION OF ALPHA-ELEMENT ABUNDANCE RATIOS FROM LOW-RESOLUTION SDSS/SEGUE STELLAR SPECTRA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Young Sun; Beers, Timothy C.; Prieto, Carlos Allende

We present a method for the determination of [{alpha}/Fe] ratios from low-resolution (R = 2000) SDSS/SEGUE stellar spectra. By means of a star-by-star comparison with degraded spectra from the ELODIE spectral library and with a set of moderately high-resolution (R = 15, 000) and medium-resolution (R = 6000) spectra of SDSS/SEGUE stars, we demonstrate that we are able to measure [{alpha}/Fe] from SDSS/SEGUE spectra (with S/N>20/1) to a precision of better than 0.1 dex, for stars with atmospheric parameters in the range T{sub eff} = [4500, 7000] K, log g = [1.5, 5.0], and [Fe/H] = [-1.4, +0.3], over themore » range [{alpha}/Fe] = [-0.1, +0.6]. For stars with [Fe/H] <-1.4, our method requires spectra with slightly higher signal-to-noise to achieve this precision (S/N>25/1). Over the full temperature range considered, the lowest metallicity star for which a confident estimate of [{alpha}/Fe] can be obtained from our approach is [Fe/H] {approx}-2.5; preliminary tests indicate that a metallicity limit as low as [Fe/H] {approx}-3.0 may apply to cooler stars. As a further validation of this approach, weighted averages of [{alpha}/Fe] obtained for SEGUE spectra of likely member stars of Galactic globular clusters (M15, M13, and M71) and open clusters (NGC 2420, M67, and NGC 6791) exhibit good agreement with the values of [{alpha}/Fe] from previous studies. The results of the comparison with NGC 6791 imply that the metallicity range for the method may extend to {approx}+0.5.« less

Injury risk functions based on population-based finite element model responses: Application to femurs under dynamic three-point bending.

PubMed

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.

Dissolved trace elements in a nitrogen-polluted river near to the Liaodong Bay in Northeast China.

PubMed

Bu, Hongmei; Song, Xianfang; Guo, Fen

2017-01-15

Dissolved trace element concentrations (Ba, Fe, Mn, Si, Sr, and Zn) were investigated in the Haicheng River near to the Liaodong Bay in Northeast China during 2010. Dissolved Ba, Fe, Mn, and Sr showed significant spatial variation, whereas dissolved Fe, Mn, and Zn displayed seasonal variations. Conditions such as water temperature, pH, and dissolved oxygen were found to have an important impact on redox reactions involving dissolved Ba, Fe, and Zn. Dissolved Fe and Mn concentrations were regulated by adsorption or desorption of Fe/Mn oxyhydroxides and the effects of organic carbon complexation on dissolved Ba and Sr were found to be significant. The sources of dissolved trace elements were found to be mainly from domestic sewage, industrial waste, agricultural surface runoff, and natural origin, with estimated seasonal and annual river fluxes established as important inputs of dissolved trace elements from the Haicheng River into the Liaodong Bay or Bohai Sea. Copyright © 2016 Elsevier Ltd. All rights reserved.

Bayesian nonlinear structural FE model and seismic input identification for damage assessment of civil structures

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.

Substitution of Nd with other rare earth elements in melt spun Nd{sub 2}Fe{sub 14}B magnets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, D. N.; Lau, D.; Chen, Z.

2016-05-15

This is a contemporary study of rapidly quenched Nd{sub 1.6}X{sub 0.4}Fe{sub 14}B magnetic materials (where X= Nd, Y, Ce, La, Pr, Gd and Ho). A 20% substitution of the Nd component from Nd{sub 2}Fe{sub 14}B can bring about some commercial advantage. However, there will be some compromise to the magnetic performance. Light rare earth elements are definitely more abundant (Y, Ce, La) than the heavier rare earth elements, but when they are included in RE{sub 2}Fe{sub 14}B magnets they tend to lower magnetic performance and thermal stability. Substituting heavy rare earth elements (Gd, Ho) for Nd in Nd{sub 2}Fe{sub 14}Bmore » improves the thermal stability of magnets but causes a loss in magnet remanence.« less

An Embedded Statistical Method for Coupling Molecular Dynamics and Finite Element Analyses

NASA Technical Reports Server (NTRS)

Saether, E.; Glaessgen, E.H.; Yamakov, V.

2008-01-01

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

A New Concurrent Multiscale Methodology for Coupling Molecular Dynamics and Finite Element Analyses

NASA Technical Reports Server (NTRS)

Yamakov, Vesselin; Saether, Erik; Glaessgen, Edward H/.

2008-01-01

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

CHEMICAL ANALYSIS OF A CARBON-ENHANCED VERY METAL-POOR STAR: CD-27 14351

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karinkuzhi, Drisya; Goswami, Aruna; Masseron, Thomas

2017-01-01

We present, for the first time, an abundance analysis of a very metal-poor carbon-enhanced star CD-27 14351 based on a high-resolution ( R  ∼ 48,000) FEROS spectrum. Our abundance analysis performed using local thermodynamic equilibrium model atmospheres shows that the object is a cool star with stellar atmospheric parameters, effective temperature T {sub eff} = 4335 K, surface gravity log g  = 0.5, microturbulence ξ  = 2.42 km s{sup −1}, and metallicity [Fe/H] = −2.6. The star exhibits high carbon and nitrogen abundances with [C/Fe] = 2.89 and [N/Fe] = 1.89. Overabundances of neutron-capture elements are evident in Ba, La, Ce, and Nd, with estimated [X/Fe] > 1, the largest enhancementmore » being seen in Ce with [Ce/Fe] = 2.63. While the first peak s -process elements Sr and Y are found to be enhanced with respect to Fe, ([Sr/Fe] = 1.73 and [Y/Fe] = 1.91), the third peak s -process element Pb could not be detected in our spectrum at the given resolution. Europium, primarily an r -process element also shows an enhancement with [Eu/Fe] = 1.65. With [Ba/Eu] = 0.12, the object CD-27 14351 satisfies the classification criterion for a CEMP-r/s star. The elemental abundance distributions observed in this star are discussed in light of the chemical abundances observed in other CEMP stars in the literature.« less

Considerations when loading spinal finite element models with predicted muscle forces from inverse static analyses.

PubMed

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.

A unified monolithic approach for multi-fluid flows and fluid-structure interaction using the Particle Finite Element Method with fixed mesh

NASA Astrophysics Data System (ADS)

Becker, P.; Idelsohn, S. R.; Oñate, E.

2015-06-01

This paper describes a strategy to solve multi-fluid and fluid-structure interaction (FSI) problems using Lagrangian particles combined with a fixed finite element (FE) mesh. Our approach is an extension of the fluid-only PFEM-2 (Idelsohn et al., Eng Comput 30(2):2-2, 2013; Idelsohn et al., J Numer Methods Fluids, 2014) which uses explicit integration over the streamlines to improve accuracy. As a result, the convective term does not appear in the set of equations solved on the fixed mesh. Enrichments in the pressure field are used to improve the description of the interface between phases.

Silicon induced Fe deficiency affects Fe, Mn, Cu and Zn distribution in rice (Oryza sativa L.) growth in calcareous conditions.

PubMed

Carrasco-Gil, Sandra; Rodríguez-Menéndez, Sara; Fernández, Beatriz; Pereiro, Rosario; de la Fuente, Vicenta; Hernandez-Apaolaza, Lourdes

2018-04-01

A protective effect by silicon in the amelioration of iron chlorosis has recently been proved for Strategy 1 species, at acidic pH. However in calcareous conditions, the Si effect on Fe acquisition and distribution is still unknown. In this work, the effect of Si on Fe, Mn, Cu and Zn distribution was studied in rice (Strategy 2 species) under Fe sufficiency and deficiency. Plants (+Si or-Si) were grown initially with Fe, and then Fe was removed from the nutrient solution. The plants were then analysed using a combined approach including LA-ICP-MS images for each element of interest, the analysis of the Fe and Si concentration at different cell layers of root and leaf cross sections by SEM-EDX, and determining the apoplastic Fe, total micronutrient concentration and oxidative stress indexes. A different Si effect was observed depending on plant Fe status. Under Fe sufficiency, Si supply increased Fe root plaque formation, decreasing Fe concentration inside the root and increasing the oxidative stress in the plants. Therefore, Fe acquisition strategies were activated, and Fe translocation rate to the aerial parts was increased, even under an optimal Fe supply. Under Fe deficiency, +Si plants absorbed Fe from the plaque more rapidly than -Si plants, due to the previous activation of Fe deficiency strategies during the growing period (+Fe + Si). Higher Fe plaque formation due to Si supply during the growing period reduced Fe uptake and could activate Fe deficiency strategies in rice, making it more efficient against Fe chlorosis alterations. Silicon influenced Mn and Cu distribution in root. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

Siderophile Element Partitioning between Cohenite and Liquid in Fe-Ni-S-C System and Implications for Geochemistry of Planetary Cores and Mantles

NASA Astrophysics Data System (ADS)

Buono, A. S.; Dasgupta, R.; Walker, D.

2011-12-01

Secular cooling of terrestrial planets is known to cause crystallization of a solid inner core from metallic liquid core. Fractionation of light and siderophile elements is important during such crystallization for evolution of outer core and possible core-mantle interaction. Thus far studies focused on a pure Fe inner core in simple binary systems but the effects of possible formation of a carbide inner core component on siderophile element partitioning in a multi-component system has yet to be looked at in detail. We investigated the effects of pressure and S content on partition coefficients (D) between cohenite and liquid in the Fe-Ni-S-C system. Multi-anvil experiments were performed at 3 and 6 GPa at 1150 °C, in an Fe-rich mix containing a constant C and Ni to which S contents of 0, 5, and 14 wt.% were added. All the mixes were doped with W, Re, Os, Pt, and Co. Samples were imaged and analyzed for Fe, Ni, S, and C using an EPMA. Fe, Ni, and trace elements were analyzed using a LA-ICP-MS. All the experiments produced cohenite and Fe-Ni-C±S liquid. Compared to solid-Fe/melt Ds [1-2], cohenite/melt Ds are lower for all elements except W. The light element (S+C) content of the liquid is the dominant controlling factor in siderophile element partitioning between cohenite and liquid as it is between crystalline Fe and liquid. In the cohenite-metallic melt experiments, D Ni decreases as S+C increases. Ni is excluded from the crystallizing solid if the solid is cohenite. We also find that in the Fe-Ni-S-C system, cohenite is stabilized to higher P than in the Fe-S-C system [3-5]. Similar to the Fe-metallic liquid systems the non-metal avoidance model [6] is applicable to the Fe3C-metallic liquid system studied here. Our study has implications for both the cores of smaller planets and the mantles of larger planets. If inner core forms a cohenite layer we would predict that depletions in the outer core will be less than they might be for Fe metal crystallization. For the mantle of the earth, which is thought to become Fe-Ni metal-saturated as shallow as 250 km, the sub-system Fe-Ni + C + S becomes relevant and Fe-Ni carbide rather than metallic Fe-Ni alloy may become the crystalline phase of interest. Our study implies that because the partition coefficients between cohenite and Fe-C-S melts are significantly lower than those between Fe-metal and S-rich liquid, in the presence of cohenite and Fe-C-S melt in the mantle, the mantle budget of Ni, Co, and Pt may be dominated by Fe-C-S liquid. W, Re, and Os will also be slightly enriched in C-rich Fe-Ni liquid over cohenite if the metal sub-system of interest is S-free. [1] Chabot et al., GCA 70, 1322-1335, 2006 [2] Chabot et al., GCA 72, 4146-4158, 2008 [3] Chabot et al., Meteorit. Planet. Sci. 42, 1735-1750, 2007 [4] Stewart et al., EPSL 284, 302-309, 2009 [5] Van Orman et al., EPSL 274, 250-257, 2008 [6] Jones, J.H., Malvin, D.J., Metall Mater Trans B 21, 697-706, 1990

Determination of crystal residence timescales in magma reservoirs by diffusion modeling of dendritic phosphorus zoning patterns in olivine

NASA Astrophysics Data System (ADS)

Chakraborty, S.; Potrafke, A.

2016-12-01

Deciphering the early stages of crystallization and the chronological evolution of phenocrysts in magma reservoirs is one of the main goals in volcanology. Established approaches that model the concentration evolution of fast diffusing elements like Fe/Mg carry limited information on timescales once the concentration gradients are homogenized. Elements that diffuse more slowly, such as P and Al, become useful in these cases. We present a novel modeling tool that combines high-resolution EMP mapping of slow diffusing phosphorus in olivine with 2D kinetic modeling of the diffusive relaxation of initial chemical zoning pattern of P as well as Fe/Mg. The modeling approach offers a new possibility for determining crystal residence times in magma reservoirs. P diffusion coefficients from the experimental determination of [1] and Fe/Mg diffusion coefficients from [2] were used. The method yields a time-bracket between the minimum time required to homogenize the zoning of fast-diffusing Fe/Mg and the maximum time period for which details of chemical zoning of slow-diffusing P may be retained. To illustrate the approach we have studied the compositional zoning patterns of 7 olivine crystals from Piton de la Fournaise volcano, La Réunion. All crystals show a narrow range of forsterite contents (=Fo82-84) with fully homogenized Fe/Mg distribution, whereas P-mapping reveals oscillatory to dendritic zoning patterns [3]. P concentrations scatter in the range of 0.4 wt-% to below detection limit. Revealed phosphorus zoning patterns were considered to display the initial crystal architecture, whereas Fe and Mg zoning has been wiped out due to faster diffusion. For La Réunion magmas at 1453 K, timescales between few days to weeks were determined to be the time brackets for growth and residence of the olivine crystals in the magmas. These short residence times combined with knowledge of very fast developing dendritic crystals that have recently been revealed worldwide [e.g. 3] indicate that dendritic crystal growth in such rapidly evolving dynamic environments should be considered as a widespread feature of olivine growth and evolution of many basaltic volcanic systems. [1] Watson et al., 2015, Am Min, 100, pp. 2053-2065 [2] Dohmen et al., 2007, Phys Chem Miner, 34(6), pp. 389-407 [3] Welsch et al., 2014, Geology, 42, pp. 867-870

Water quality changes in acid mine drainage streams in Gangneung, Korea, 10 years after treatment with limestone

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shim, Moo Joon; Choi, Byoung Young; Lee, Giehyeon

To determine the long-term effectiveness of the limestone treatment for acid mine drainage (AMD) in Gangneung, Korea, we investigated the elemental distribution in streams impacted by AMD and compared the results of previous studies before and approximately 10 years after the addition of limestone. Addition of limestone in 1999 leads to a pH increase in 2008, and with the exception of Ca, the elemental concentrations (e.g., Fe, Mn, Mg, Sr, Ni, Zn, S) in the streams decreased. The pH was 2.5–3 before the addition of limestone and remained stable at around 4.5–5 from 2008 to 2011, suggesting the reactivity ofmore » the added limestone was diminished and that an alternative approach is needed to increase the pH up to circumneutral range and maintain effective long-term treatment. To identify the processes causing the decrease in the elemental concentrations, we also examined the spatial (approximately 7 km) distribution over three different types of streams affected by the AMD. Lastly, the elemental distribution was mainly controlled by physicochemical processes including redox reactions, dilution on mixing, and co-precipitation/adsorption with Fe (hydr)oxides.« less

Water quality changes in acid mine drainage streams in Gangneung, Korea, 10 years after treatment with limestone

DOE PAGES

Shim, Moo Joon; Choi, Byoung Young; Lee, Giehyeon; ...

2015-09-28

To determine the long-term effectiveness of the limestone treatment for acid mine drainage (AMD) in Gangneung, Korea, we investigated the elemental distribution in streams impacted by AMD and compared the results of previous studies before and approximately 10 years after the addition of limestone. Addition of limestone in 1999 leads to a pH increase in 2008, and with the exception of Ca, the elemental concentrations (e.g., Fe, Mn, Mg, Sr, Ni, Zn, S) in the streams decreased. The pH was 2.5–3 before the addition of limestone and remained stable at around 4.5–5 from 2008 to 2011, suggesting the reactivity ofmore » the added limestone was diminished and that an alternative approach is needed to increase the pH up to circumneutral range and maintain effective long-term treatment. To identify the processes causing the decrease in the elemental concentrations, we also examined the spatial (approximately 7 km) distribution over three different types of streams affected by the AMD. Lastly, the elemental distribution was mainly controlled by physicochemical processes including redox reactions, dilution on mixing, and co-precipitation/adsorption with Fe (hydr)oxides.« less

Concentrations of 17 elements, including mercury, in the tissues, food and abiotic environment of Arctic shorebirds.

PubMed

Hargreaves, Anna L; Whiteside, Douglas P; Gilchrist, Grant

2011-09-01

Exposure to contaminants is one hypothesis proposed to explain the global decline in shorebirds, and is also an increasing concern in the Arctic. We assessed potential contaminants (As, Be, Cd, Co, Cr, Cu, Fe, Hg, Mn, Mo, Ni, Pb, Sb, Se, Tl, V, and Zn) at a shorebird breeding site in Nunavut, Canada. We compared element levels in soil, invertebrates and shorebird blood to assess evidence for bioconcentration and biomagnification within the Arctic-based food chain. We tested whether elements in blood, feathers and eggs of six shorebird species (Pluvialis squatarola, Calidris alpina, C. fuscicollis, Phalaropus fulicarius, Charadrius semipalmatus, and Arenaria interpres) were related to fitness endpoints: adult body condition, blood-parasite load, egg size, eggshell thickness, nest duration, and hatching success. To facilitate comparison to other sites, we summarise the published data on toxic metals in shorebird blood and egg contents. Element concentrations and invertebrate composition differed strongly among habitats, and habitat use and element concentrations differed among shorebird species. Hg, Se, Cd, Cu, and Zn bioconcentrated from soil to invertebrates, and Hg, Se and Fe biomagnified from invertebrates to shorebird blood. As, Ni, Pb, Co and Mn showed significant biodilution from soil to invertebrates to shorebirds. Soil element levels were within Canadian guidelines, and invertebrate Hg levels were below dietary levels suggested for the protection of wildlife. However, maximum Hg in blood and eggs approached levels associated with toxicological effects and Hg-pollution in other bird species. Parental blood-Hg was negatively related to egg volume, although the relationship varied among species. No other elements approached established toxicological thresholds. In conclusion, whereas we found little evidence that exposure to elements at this site is leading to the declines of the species studied, Hg, as found elsewhere in the Canadian Arctic, is of potential concern for breeding bird populations. Copyright © 2011 Elsevier B.V. All rights reserved.

Distribution and speciation of trace elements in iron and manganese oxide cave deposits

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frierdich, Andrew J.; Catalano, Jeffrey G.

2012-10-24

Fe and Mn oxide minerals control the distribution and speciation of heavy metals and trace elements in soils and aquatic systems through chemical mechanisms involving adsorption, incorporation, and electron transfer. The Pautler Cave System in Southwest Illinois, an analog to other temperate carbonate-hosted karst systems, contains Fe and Mn oxide minerals that form in multiple depositional environments and have high concentrations of associated trace elements. Synchrotron-based micro-scanning X-ray fluorescence ({mu}-SXRF) shows unique spatial distributions of Fe, Mn, and trace elements in mineral samples. Profile maps of Mn oxide cave stream pebble coatings show Fe- and As-rich laminations, indicating dynamic redoxmore » conditions in the cave stream. {mu}-SXRF maps demonstrate that Ni, Cu, and Zn correlate primarily with Mn whereas As correlates with both Mn and Fe; As is more enriched in the Fe phase. Zn is concentrated in the periphery of Mn oxide stream pebble coatings, and may be an indication of recent anthropogenic surface activity. X-ray absorption fine structure spectroscopy measurements reveal that As(V) occurs as surface complexes on Mn and Fe oxides whereas Zn(II) associated with Mn oxides is adsorbed to the basal planes of phyllomanganates in a tetrahedral coordination. Co(III) and Se(IV) are also observed to be associated with Mn oxides. The observation of Fe, Mn, and trace element banding in Mn oxide cave stream pebble coatings suggests that these materials are sensitive to and document aqueous redox conditions, similar to ferromanganese nodules in soils and in marine and freshwater sediments. Furthermore, speciation and distribution measurements indicate that these minerals scavenge trace elements and limit the transport of micronutrients and contaminants in karst aquifer systems while also potentially recording changes in anthropogenic surface activity and land-use.« less

The influence of carbon, sulfur, and silicon on trace element partitioning in iron alloys

NASA Astrophysics Data System (ADS)

Han, J.; Van Orman, J. A.; Crispin, K. L.; Ash, R. D.

2014-12-01

Non-metallic light elements are important constituents of planetary cores and have a strong influence on the partitioning behavior of trace elements. Planetary cores may contain a wide range of non-metallic light elements, including H, N, S, P, Si, and C. Under highly reducing conditions, such as those that are thought to have pertained during the formation of Mercury's core, Si and C, in addition to sulfur, may be particularly important constituents. Each of these elements may strongly effect and have a different impact on the partitioning behavior of trace elements but their combined effects on trace element partitioning have not been quantified. We investigated the partitioning behavior of more than 25 siderophile trace elements within the Fe-S-C-Si system with varying concentrations of C, S, and Si. The experiments were performed under pressures varying from 1 atm to 2 GPa and temperatures ranging from 1200˚C to 1450˚C. All experiments produced immiscible liquids, one enriched in Si and C, and the other predominantly FeS. We found some highly siderophile elements including Os, Ru, Ir, and Re are much more enriched in Fe-Si-C phase than in Fe-S phase, whereas other trace elements like V, Co, Ag, Hf, and Pb are enriched in S-rich phase. However, not all the trace elements enriched in Fe-Si-C phase are repelled by sulfur. Elements like Re and Ru could have different partitioning trends if sulfur concentration in S-rich phase rises. The partitioning behavior of these trace elements could enhance our understanding of the differentiation of Mercury's core under oxygen-poor conditions.

Analysis of grain elements and identification of best genotypes for Fe and P in Afghan wheat landraces

PubMed Central

Kondou, Youichi; Manickavelu, Alagu; Komatsu, Kenji; Arifi, Mujiburahman; Kawashima, Mika; Ishii, Takayoshi; Hattori, Tomohiro; Iwata, Hiroyoshi; Tsujimoto, Hisashi; Ban, Tomohiro; Matsui, Minami

2016-01-01

This study was carried out with the aim of developing the methodology to determine elemental composition in wheat and identify the best germplasm for further research. Orphan and genetically diverse Afghan wheat landraces were chosen and EDXRF was used to measure the content of some of the elements to establish elemental composition in grains of 266 landraces using 10 reference lines. Four elements, K, Mg, P, and Fe, were measured by standardizing sample preparation. The results of hierarchical cluster analysis using elemental composition data sets indicated that the Fe content has an opposite pattern to the other elements, especially that of K. By systematic analysis the best wheat germplasms for P content and Fe content were identified. In order to compare the sensitivity of EDXRF, the ICP method was also used and the similar results obtained confirmed the EDXRF methodology. The sampling method for measurement using EDXRF was optimized resulting in high-throughput profiling of elemental composition in wheat grains at low cost. Using this method, we have characterized the Afghan wheat landraces and isolated the best genotypes that have high-elemental content and have the potential to be used in crop improvement. PMID:28163583

Numerical Approximation of Elasticity Tensor Associated With Green-Naghdi Rate.

PubMed

Liu, Haofei; Sun, Wei

2017-08-01

Objective stress rates are often used in commercial finite element (FE) programs. However, deriving a consistent tangent modulus tensor (also known as elasticity tensor or material Jacobian) associated with the objective stress rates is challenging when complex material models are utilized. In this paper, an approximation method for the tangent modulus tensor associated with the Green-Naghdi rate of the Kirchhoff stress is employed to simplify the evaluation process. The effectiveness of the approach is demonstrated through the implementation of two user-defined fiber-reinforced hyperelastic material models. Comparisons between the approximation method and the closed-form analytical method demonstrate that the former can simplify the material Jacobian evaluation with satisfactory accuracy while retaining its computational efficiency. Moreover, since the approximation method is independent of material models, it can facilitate the implementation of complex material models in FE analysis using shell/membrane elements in abaqus.

Trace element contaminants in mineral fertilizers used in Iran.

PubMed

Latifi, Zahra; Jalali, Mohsen

2018-05-25

The application of mineral fertilizers which have contaminants of trace elements may impose concern regarding the entry and toxic accumulation of these elements in agro-ecosystems. In this study, 57 mineral fertilizers (nitrogen, potassium, phosphate, and compound fertilizers) distributed in Iran were analyzed for their contents of Cd, Co, Cr, Cu, Mn, Ni, Pb, Zn, and Fe. The results revealed that the contents of these trace elements varied considerably depending on the type of the element and the fertilizer. Among these elements, Fe displayed the highest average content, whereas Cd showed the lowest. Generally, the trace element contents in P-containing fertilizers were higher than those in nitrogen and potassium fertilizers. The mean values of trace elements (mg kg -1 ) in P-containing fertilizers were 4.0 (Cd), 5.5 (Co), 35.7 (Cr), 24.4 (Cu), 272 (Mn), 14.3 (Ni), 6.0 (Pb), 226 (Zn), and 2532 (Fe). Comparing trace element contents to limit values set by the German Fertilizer Ordinance showed that the mean contents of potentially toxic trace elements, such as Cd and Pb, were lower than their limit values in all groups of fertilizers. On the other hand, while a number of fertilizers contained a high content of some essential trace elements, particularly Fe, they were not labeled as such.

Non-linear homogenized and heterogeneous FE models for FRCM reinforced masonry walls in diagonal compression

NASA Astrophysics Data System (ADS)

Bertolesi, Elisa; Milani, Gabriele; Poggi, Carlo

2016-12-01

Two FE modeling techniques are presented and critically discussed for the non-linear analysis of tuff masonry panels reinforced with FRCM and subjected to standard diagonal compression tests. The specimens, tested at the University of Naples (Italy), are unreinforced and FRCM retrofitted walls. The extensive characterization of the constituent materials allowed adopting here very sophisticated numerical modeling techniques. In particular, here the results obtained by means of a micro-modeling strategy and homogenization approach are compared. The first modeling technique is a tridimensional heterogeneous micro-modeling where constituent materials (bricks, joints, reinforcing mortar and reinforcing grid) are modeled separately. The second approach is based on a two-step homogenization procedure, previously developed by the authors, where the elementary cell is discretized by means of three-noded plane stress elements and non-linear interfaces. The non-linear structural analyses are performed replacing the homogenized orthotropic continuum with a rigid element and non-linear spring assemblage (RBSM). All the simulations here presented are performed using the commercial software Abaqus. Pros and cons of the two approaches are herein discussed with reference to their reliability in reproducing global force-displacement curves and crack patterns, as well as to the rather different computational effort required by the two strategies.

The novel approach to the biomonitor survey using one- and two-dimensional Kohonen networks.

PubMed

Deljanin, Isidora; Antanasijević, Davor; Urošević, Mira Aničić; Tomašević, Milica; Perić-Grujić, Aleksandra; Ristić, Mirjana

2015-10-01

To compare the applicability of the leaves of horse chestnut (Aesculus hippocastanum) and linden (Tilia spp.) as biomonitors of trace element concentrations, a coupled approach of one- and two-dimensional Kohonen networks was applied for the first time. The self-organizing networks (SONs) and the self-organizing maps (SOMs) were applied on the database obtained for the element accumulation (Cr, Fe, Ni, Cu, Zn, Pb, V, As, Cd) and the SOM for the Pb isotopes in the leaves for a multiyear period (2002-2006). A. hippocastanum seems to be a more appropriate biomonitor since it showed more consistent results in the analysis of trace elements and Pb isotopes. The SOM proved to be a suitable and sensitive tool for assessing differences in trace element concentrations and for the Pb isotopic composition in leaves of different species. In addition, the SON provided more clear data on seasonal and temporal accumulation of trace elements in the leaves and could be recommended complementary to the SOM analysis of trace elements in biomonitoring studies.

Scanning Electron Microscope-Cathodoluminescence Analysis of Rare-Earth Elements in Magnets.

PubMed

Imashuku, Susumu; Wagatsuma, Kazuaki; Kawai, Jun

2016-02-01

Scanning electron microscope-cathodoluminescence (SEM-CL) analysis was performed for neodymium-iron-boron (NdFeB) and samarium-cobalt (Sm-Co) magnets to analyze the rare-earth elements present in the magnets. We examined the advantages of SEM-CL analysis over conventional analytical methods such as SEM-energy-dispersive X-ray (EDX) spectroscopy and SEM-wavelength-dispersive X-ray (WDX) spectroscopy for elemental analysis of rare-earth elements in NdFeB magnets. Luminescence spectra of chloride compounds of elements in the magnets were measured by the SEM-CL method. Chloride compounds were obtained by the dropwise addition of hydrochloric acid on the magnets followed by drying in vacuum. Neodymium, praseodymium, terbium, and dysprosium were separately detected in the NdFeB magnets, and samarium was detected in the Sm-Co magnet by the SEM-CL method. In contrast, it was difficult to distinguish terbium and dysprosium in the NdFeB magnet with a dysprosium concentration of 1.05 wt% by conventional SEM-EDX analysis. Terbium with a concentration of 0.02 wt% in an NdFeB magnet was detected by SEM-CL analysis, but not by conventional SEM-WDX analysis. SEM-CL analysis is advantageous over conventional SEM-EDX and SEM-WDX analyses for detecting trace rare-earth elements in NdFeB magnets, particularly dysprosium and terbium.

Experimental and Computational Investigation of High Entropy Alloys for Elevated-Temperature Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liaw, Peter; Zhang, Fan; Zhang, Chuan

2016-07-30

To create and design novel structural materials with enhanced creep-resistance, fundamental studies have been conducted on high-entropy alloys (HEAs), using (1) thermodynamic calculations, (2) mechanical tests, (3) neutron diffraction, (4) characterization techniques, and (5) crystal-plasticity finite-element modeling (CPFEM), to explore future candidates for next-generation power plants. All the constituent binary and ternary systems of the Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems were thermodynamically modeled within the whole composition range. Comparisons between the calculated phase diagrams and literature data are in good agreement. Seven types of HEAs were fabricated from Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems. The Al xCrCuFeMnNi HEAs have disordered [face-centered cubic (FCC)more » + body-centered cubic (BCC)] crystal structures, not FCC or BCC single structure. Excessive alloying of the Al element results in the change of both microstructural and mechanical properties in Al xCoCrFeNi HEAs. There are mainly three structural features in Al xCoCrFeNi: (1) the morphology, (2) the volume fractions of the constitute phases, and (3) existing temperatures of all six phases. After homogenization, the Al 0.3CoCrFeNi material is a pure FCC solid solution. After aging at 700 °C for 500 hours, the optimal microstructure combinations, the FCC matrix, needle-like B2 phase within grains, and granular σ phase along grain boundary, is achieved for Al 0.3CoCrFeNi. The cold-rolling process is utilized to reduce the grain size of Al 0.1CoCrFeNi and Al 0.3CoCrFeNi. The chemical elemental partitioning of FCC, BCC, B2, and σphases at different temperatures, before and after mechanical tests, in Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems are quantitatively characterized by both synchrotron X-ray diffraction, neutron diffraction with levitation, scanning electron microscopy (SEM), advanced atom probe tomography (APT), and transmission electron microscopy (TEM). In-situ neutron diffraction experiments were conducted to study the strengthening effect of B2 phase on tensile properties of Al 0.3CoCrFeNi HEAs directly. The results shows the creep behavior of Al 0.3CoCrFeNi is superior to conventional alloys, and the heat treatment introduces secondary B2 phase into the FCC matrix, which increase the yielding strength, decrease the ductility, diminish the serrated flow during compression tests at high temperatures. In summary, the outcomes of the development of the HEAs with creep resistance include: (1) Suitable candidates, for the application to boilers and steam and gas turbines at temperatures above 760 °C and a stress of 35 MPa. (2) Fundamental understanding on the precipitate stability and deformation mechanisms of both single-phase and precipitate-strengthened alloys at room and elevated temperatures, and (3) The demonstration of an integrated approach, coupling modeling [thermodynamic calculations and crystal-plasticity finite-element modeling (CPFEM)] and focused experiments, to identify HEAs that outperform conventional alloys for high-temperature applications, which will be applicable for the discovery and development of other high-temperature materials in the power-generating industry.« less

Imaging the surface morphology, chemistry and conductivity of LiNi 1/3 Fe 1/3 Mn 4/3 O 4 crystalline facets using scanning transmission X-ray microscopy

DOE PAGES

Zhou, Jigang; Wang, Jian; Cutler, Jeffrey; ...

2016-07-26

We have employed scanning transmission X-ray microscopy (STXM) using the X-ray fluorescence mode in order to elucidate the chemical structures at Ni, Fe, Mn and O sites from the (111) and (100) facets of micron-sized LiNi 1/3Fe 1/3Mn 4/3O 4 energy material particles. Furthermore, STXM imaging using electron yield mode has mapped out the surface conductivity of the crystalline particles. Our study presents a novel approach that visualizes local element segregation, chemistry and conductivity variation among different crystal facets, which will assist further tailoring of the morphology and surface structure of this high voltage spinel lithium ion battery cathode material.

Chemistry of impact events on Mercury

NASA Astrophysics Data System (ADS)

Berezhnoy, Alexey A.

2018-01-01

Based on the equilibrium thermochemical approach and quenching theory, formation of molecules and dust grains in impact-produced clouds formed after collisions between meteoroids and Mercury is considered. Based on observations of Al, Fe, and Mn atoms in the exosphere of Mercury and new results of studies of the elemental composition of the surface of Mercury, quenching temperatures and pressures of main chemical reactions and condensation of dust particles were estimated. The behavior of the main Na-, K-, Ca-, Fe-, Al-, Mn-, Mg-, Si-, Ti, Ni-, Cr-, Co, Zn-, O-, H-, S-, C-, Cl-, N-, and P-containing species delivered to the Hermean exosphere during meteoroid impacts was studied. The importance of meteoroid bombardment as a source of Na, K, Ca, Fe, Al, Mn, Mg, and O atoms in the exosphere of Mercury is discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bonamici, Chloë E.; Kinman, William S.; Fournelle, John H.

Reprocessed earth material is a glassy nuclear fallout debris from near-surface nuclear tests. A geochemical approach to analysis of glassy fallout is uniquely suited to determine the means of reprocessing and shed light on the mechanisms of fallout formation. An improved understanding of fallout formation is of interest both for its potential to guide post-detonation nuclear forensic investigations and in the context of possible affinities between glassy debris and other glasses generated by high-energy natural events, such as meteorite impacts and lightning strikes. Our study presents a large major-element compositional dataset for glasses within aerodynamic fallout from the Trinity nuclearmore » test (“trinitite”) and a geochemically based analysis of the glass compositional trends. Silica-rich and alkali-rich trinitite glasses show compositions and textures consistent with formation through melting of individual mineral grains—quartz and alkali feldspar, respectively—from the test-site sediment. Furthermore, the volumetrically dominant glass phase—called the CaMgFe glass—shows extreme major-element compositional variability. Compositional trends in the CaMgFe glass are most consistent with formation through volatility-controlled condensation from compositionally heterogeneous plasma. Radioactivity occurs only in CaMgFe glass, indicating that co-condensation of evaporated bulk ground material and trace device material was the main mechanism of radioisotope incorporation into trinitite. CaMgFe trinitite glasses overlap compositionally with basalts, rhyolites, fulgurites, tektites, and microtektites but display greater compositional diversity than all of these naturally formed glasses. Indeed, the most refractory CaMgFe glasses compositionally resemble early solar system condensates—specifically, CAIs.« less

Spatial distribution of arsenic and heavy metals in willow roots from a contaminated floodplain soil measured by X-ray fluorescence spectroscopy.

PubMed

Zimmer, Dana; Kruse, Jens; Baum, Christel; Borca, Camelia; Laue, Michael; Hause, Gerd; Meissner, Ralph; Leinweber, Peter

2011-09-01

Under changing redox conditions some plants create plaques at their root surface, which may affect the mobility and uptake of As and heavy metals but it is unknown to what extent this also holds true for willows in contaminated floodplain soils. Therefore, willow roots were sampled from a phytoremediation trial in the contaminated floodplain of the river Elbe (Germany), cryofixed, freeze-dried, and cross sections were mapped for the distribution of As, Ca, Cu, Fe, K, Mn, Ni, S and Zn by synchrotron based X-ray fluorescence spectroscopy. The elements Ca, Cu, Ni, S and Zn were concentrated in the aerenchymatic tissue, and not associated with Fe and Mn. Mixed Fe-Mn plaques covered the surface of the willow roots and As was accumulated in these plaques. The observed association pattern between As and Fe was explained by the different sorption/desorption properties of As(III) and As(V). The Cu and Zn intensities were not associated with the intensity of Fe in the plaque, which seems to be a willow-specific difference compared to other wetland plants. These results suggested that willows are especially suited to stabilize low-phytoextractable elements like Cu and As in their roots and rhizosphere. Thus, short rotation coppicing of willows may be a practical approach to mitigate the adverse effects of floodplain soil contamination. Copyright © 2011 Elsevier B.V. All rights reserved.

Understanding of the Elemental Diffusion Behavior in Concentrated Solid Solution Alloys

DOE PAGES

Zhang, Chuan; Zhang, Fan; Jin, Ke; ...

2017-07-13

As one of the core effects on the high-temperature structural stability, the so-called “sluggish diffusion effect” in high-entropy alloy (HEA) has attracted much attention. Experimental investigations on the diffusion kinetics have been carried out in a few HEA systems, such as Al-Co-Cr-Fe-Ni and Co-Cr-Fe-Mn-Ni. However, the mechanisms behind this effect remain unclear. To better understand the diffusion kinetics of the HEAs, a combined computational/experimental approach is employed in the current study. In the present work, a self-consistent atomic mobility database is developed for the face-centered cubic (fcc) phase of the Co-Cr-Fe-Mn-Ni quinary system. The simulated diffusion coefficients and concentration profilesmore » using this database can well describe the experimental data both from this work and the literatures. The validated mobility database is then used to calculate the tracer diffusion coefficients of Ni in the subsystems of the Co-Cr-Fe-Mn-Ni system with equiatomic ratios. The comparisons of these calculated diffusion coefficients reveal that the diffusion of Ni is not inevitably more sluggish with increasing number of components in the subsystem even with homologous temperature. Taking advantage of computational thermodynamics, the diffusivities of alloying elements with composition and/or temperature are also calculated. Furthermore, these calculations provide us an overall picture of the diffusion kinetics within the Co-Cr-Fe-Mn-Ni system.« less

Experiments on Lunar Core Composition: Phase Equilibrium Analysis of A Multi-Element (Fe-Ni-S-C) System

NASA Technical Reports Server (NTRS)

Go, B. M.; Righter, K.; Danielson, L.; Pando, K.

2015-01-01

Previous geochemical and geophysical experiments have proposed the presence of a small, metallic lunar core, but its composition is still being investigated. Knowledge of core composition can have a significant effect on understanding the thermal history of the Moon, the conditions surrounding the liquid-solid or liquid-liquid field, and siderophile element partitioning between mantle and core. However, experiments on complex bulk core compositions are very limited. One limitation comes from numerous studies that have only considered two or three element systems such as Fe-S or Fe-C, which do not supply a comprehensive understanding for complex systems such as Fe-Ni-S-Si-C. Recent geophysical data suggests the presence of up to 6% lighter elements. Reassessments of Apollo seismological analyses and samples have also shown the need to acquire more data for a broader range of pressures, temperatures, and compositions. This study considers a complex multi-element system (Fe-Ni-S-C) for a relevant pressure and temperature range to the Moon's core conditions.

Chemical Compositions of Kinematically Selected Outer Halo Stars

NASA Astrophysics Data System (ADS)

Zhang, Lan; Ishigaki, Miho; Aoki, Wako; Zhao, Gang; Chiba, Masashi

2009-12-01

Chemical abundances of 26 metal-poor dwarfs and giants are determined from high-resolution and high signal-to-noise ratio spectra obtained with the Subaru/High Dispersion Spectrograph. The sample is selected so that most of the objects have outer-halo kinematics. Self-consistent atmospheric parameters were determined by an iterative procedure based on spectroscopic analysis. Abundances of 13 elements, including α-elements (Mg, Si, Ca, Ti), odd-Z light elements (Na, Sc), iron-peak elements (Cr, Mn, Fe, Ni, Zn), and neutron-capture elements (Y, Ba), are determined by two independent data reduction and local thermodynamic equillibrium analysis procedures, confirming the consistency of the stellar parameters and abundances results. We find a decreasing trend of [α/Fe] with increasing [Fe/H] for the range of -3.5< [Fe/H] <-1, as found by Stephens & Boesgaard. [Zn/Fe] values of most objects in our sample are slightly lower than the bulk of halo stars previously studied. These results are discussed as possible chemical properties of the outer halo in the Galaxy. Based on data collected at the Subaru Telescope, which is operated by the National Astronomical Observatory of Japan.

Trace Element Determination and Cardioprotection of Terminalia pallida Fruit Ethanolic Extract in Isoproterenol Induced Myocardial Infarcted Rats by ICP-MS.

PubMed

Althaf Hussain, Shaik; Kareem, Mohammed Abdul; Rasool, Shaik Nayab; Al Omar, Suliman Yousef; Saleh, Alwasel; Al-Fwuaires, Manal Abdulrahman; Daddam, Jayasimha Rayalu; Devi, Kodidhela Lakshmi

2018-01-01

The trace elements and minerals in Terminalia pallida fruit ethanolic extract (TpFE) were determined by the instrument inductively coupled plasma-mass spectrometry (ICP-MS), and the cardioprotection of TpFE against isoproterenol (ISO)-administered rats was studied. Rats were pretreated with TpFE (100, 300, and 500 mg/kg bw) for 30 days, with concurrent administration of ISO (85 mg/kg bw) for two consecutive days. The levels of trace elements and minerals in TpFE were below the permitted limits of World Health Organization standards. ISO administration significantly increased the heart weight and cardiac marker enzymes in serum, xanthine oxidase, sodium, and calcium in the heart, whereas significantly decreased body weight, reduced glutathione, glutathione-S-transferase, superoxide dismutase, and potassium in the heart. Oral pretreatment of TpFE significantly prevented the ISO-induced alterations. This is the first report that revealed the determination of trace elements and mineral nutrients of TpFE by ICP-MS which plays a principal role in the herbal drug discovery for the treatment of cardiovascular diseases.

[Experimental study and correction of the absorption and enhancement effect between Ti, V and Fe].

PubMed

Tuo, Xian-Guo; Mu, Ke-Liang; Li, Zhe; Wang, Hong-Hui; Luo, Hui; Yang, Jian-Bo

2009-11-01

The absorption and enhancement effects in X-ray fluorescence analysis for Ti, V and Fe elements were studied in the present paper. Three bogus duality systems of Ti-V/Ti-Fe/V-Fe samples were confected and measured by X-ray fluorescence analysis technique using HPGe semiconductor detector, and the relation curve between unitary coefficient (R(K)) of element count rate and element content (W(K)) were obtained after the experiment. Having analyzed the degree of absorption and enhancement effect between every two elements, the authors get the result, and that is the absorption and enhancement effect between Ti and V is relatively distinctness, while it's not so distinctness in Ti-Fe and V-Fe. After that, a mathematics correction method of exponential fitting was used to fit the R(K)-W(K) curve and get a function equation of X-ray fluorescence count rate and content. Three groups of Ti-V duality samples were used to test the fitting method and the relative errors of Ti and V were less than 0.2% as compared to the actual results.

The geochemical cycling of trace elements in a biogenic meromictic lake

NASA Astrophysics Data System (ADS)

Balistrieri, Laurie S.; Murray, James W.; Paul, Barbara

1994-10-01

The geochemical processes affecting the behavior and speciation of As, Co, Cr, Cu, Fe, Mn, Mo, Ni, Pb, V, and Zn in Hall Lake, Washington, USA, are assessed by examining dissolved and acid soluble particulate profiles of the elements and utilizing results from thermodynamic calculations. The water column of this meromictic lake is highly stratified and contains distinctive oxic, suboxic, and anoxic layers. Changes in the redox state of the water column with depth affect the distribution of all the elements studied. Most noticeable are increases in dissolved Co, Cr, Fe, Mn, Ni, Pb, and Zn concentrations across the oxic-suboxic boundary, increases in dissolved As, Co, Cr, Fe, Mn, and V concentrations with depth in the anoxic layer, significant decreases in dissolved Cu, Ni, Pb, and Zn concentrations in the anoxic region below the sulfide maximum, and large increases in acid soluble particulate concentrations of As, Cr, Cu, Fe, Mo, Ni, Pb, V, and Zn in the anoxic zone below the sulfide maximum. Thermodynamic calculations for the anoxic region indicate that all redox sensitive elements exist in their reduced forms, the primary dissolved forms of Cu, Ni, Pb, and Zn are metal sulfide solution complexes, and solid sulfide phases of Cu, Fe, Mo, and Pb are supersaturated. Calculations using a vertical diffusion and reaction model indicate that the oxidation rate constant for Mn(II) in Hall Lake is estimated to be 0.006 d -1 and is at the lower end of the range of microbial oxidation rates observed in other natural systems. The main geochemical processes influencing the distribution and speciation of trace elements in Hall Lake appear to be transformations of dissolved elements between their oxidation states (As, Cr, Cu, Fe, Mn, V), cocycling of trace elements with Mn and Fe (As, Co, Cr, Cu, Mo, Ni, Pb, V, Zn), formation of soluble metal sulfide complexes (Co, Cu, Ni, Pb, Zn), sorption (As, Co, Cr, Ni, V), and precipitation (Cu, Fe, Mn, Mo, Pb, Zn).

The geochemical cycling of trace elements in a biogenic meromictic lake

USGS Publications Warehouse

Balistrieri, L.S.; Murray, J.W.; Paul, B.

1994-01-01

The geochemical processes affecting the behavior and speciation of As, Co, Cr, Cu, Fe, Mn, Mo, Ni, Pb, V, and Zn in Hall Lake, Washington, USA, are assessed by examining dissolved and acid soluble particulate profiles of the elements and utilizing results from thermodynamic calculations. The water column of this meromictic lake is highly stratified and contains distinctive oxic, suboxic, and anoxic layers. Changes in the redox state of the water column with depth affect the distribution of all the elements studied. Most noticeable are increases in dissolved Co, Cr, Fe, Mn, Ni, Pb, and Zn concentrations across the oxic-suboxic boundary, increases in dissolved As, Co, Cr, Fe, Mn, and V concentrations with depth in the anoxic layer, significant decreases in dissolved Cu, Ni, Pb, and Zn concentrations in the anoxic region below the sulfide maximum, and large increases in acid soluble particulate concentrations of As, Cr, Cu, Fe, Mo, Ni, Pb, V, and Zn in the anoxic zone below the sulfide maximum. Thermodynamic calculations for the anoxic region indicate that all redox sensitive elements exist in their reduced forms, the primary dissolved forms of Cu, Ni, Pb, and Zn are metal sulfide solution complexes, and solid sulfide phases of Cu, Fe, Mo, and Pb are supersaturated. Calculations using a vertical diffusion and reaction model indicate that the oxidation rate constant for Mn(II) in Hall Lake is estimated to be 0.006 d-1 and is at the lower end of the range of microbial oxidation rates observed in other natural systems. The main geochemical processes influencing the distribution and speciation of trace elements in Hall Lake appear to be transformations of dissolved elements between their oxidation states (As, Cr, Cu, Fe, Mn, V), cocycling of trace elements with Mn and Fe (As, Co, Cr, Cu, Mo, Ni, Pb, V, Zn), formation of soluble metal sulfide complexes (Co, Cu, Ni, Pb, Zn), sorption (As, Co, Cr, Ni, V), and precipitation (Cu, Fe, Mn, Mo, Pb, Zn). ?? 1994.

Impact of inflammation on iron stores in involved and non-involved psoriatic skin

NASA Astrophysics Data System (ADS)

Pinheiro, T.; Ynsa, M. D.; Alves, L. C.; Teixeira, P.; Ferreira, J.; Filipe, P.

2015-04-01

Accumulating evidence supports a role for cellular Fe in cell proliferation, inflammation, and disease tolerance. Psoriasis is a severe inflammatory and hyper proliferative condition of human skin whose aetiology remains poorly understood. Herein, we performed nuclear microscopy techniques to quantify with cellular resolution and high sensitivity the concentration of Fe in lesional (psoriatic plaques) and non-lesional adjacent skin of psoriatic patients. Fe contents were measured across skin depth and along epidermal strata either by quantitatively imaging Fe distribution in regions of interest, or by determining Fe profiles through analysis of sequential points along selected transepts. Both procedures require deconvolution of spectra to project quantitative elemental data through the application of different software codes. Using these approaches a detailed quantitative distribution of Fe was resolved. We show that in both lesional and non-lesional skin, the epidermal profiles of Fe contents showed a peak at the basal layer and that Fe concentration along the basal layer was not uniformly distributed. Typically, Fe levels were significantly higher in epidermal ridges relative to regions above dermal papillae. Lesional skin displayed excess Fe over extended regions above basal layer. In conclusion, we found significantly increased Fe deposits in the epidermis of psoriatic patients, particularly in areas of epidermal hyper proliferation. These findings suggest an important role for Fe in the pathogenesis of psoriasis. They also raise the possibility that manipulation of Fe levels in the skin may become relevant for the clinical management of psoriasis.

Interactions of iron with manganese, zinc, chromium, and selenium as related to prophylaxis and treatment of iron deficiency.

PubMed

Bjørklund, Geir; Aaseth, Jan; Skalny, Anatoly V; Suliburska, Joanna; Skalnaya, Margarita G; Nikonorov, Alexandr A; Tinkov, Alexey A

2017-05-01

Iron (Fe) deficiency is considered as the most common nutritional deficiency. Iron deficiency is usually associated with low Fe intake, blood loss, diseases, poor absorption, gastrointestinal parasites, or increased physiological demands as in pregnancy. Nutritional Fe deficiency is usually treated with Fe tablets, sometimes with Fe-containing multimineral tablets. Trace element interactions may have a significant impact on Fe status. Existing data demonstrate a tight interaction between manganese (Mn) and Fe, especially in Fe-deficient state. The influence of Mn on Fe homeostasis may be mediated through its influence on Fe absorption, circulating transporters like transferrin, and regulatory proteins. The existing data demonstrate that the influence of zinc (Zn) on Fe status may be related to their competition for metal transporters. Moreover, Zn may be involved in regulation of hepcidin production. At the same time, human data on the interplay between Fe and Zn especially in terms of Fe-deficiency and supplementation are contradictory, demonstrating both positive and negative influence of Zn on Fe status. Numerous data also demonstrate the possibility of competition between Fe and chromium (Cr) for transferrin binding. At the same time, human data on the interaction between these metals are contradictory. Therefore, while managing hypoferremia and Fe-deficiency anemia, it is recommended to assess the level of other trace elements in parallel with indices of Fe homeostasis. It is supposed that simultaneous correction of trace element status in Fe deficiency may help to decrease possible antagonistic or increase synergistic interactions. Copyright © 2017 Elsevier GmbH. All rights reserved.

magnum.fe: A micromagnetic finite-element simulation code based on FEniCS

NASA Astrophysics Data System (ADS)

Abert, Claas; Exl, Lukas; Bruckner, Florian; Drews, André; Suess, Dieter

2013-11-01

We have developed a finite-element micromagnetic simulation code based on the FEniCS package called magnum.fe. Here we describe the numerical methods that are applied as well as their implementation with FEniCS. We apply a transformation method for the solution of the demagnetization-field problem. A semi-implicit weak formulation is used for the integration of the Landau-Lifshitz-Gilbert equation. Numerical experiments show the validity of simulation results. magnum.fe is open source and well documented. The broad feature range of the FEniCS package makes magnum.fe a good choice for the implementation of novel micromagnetic finite-element algorithms.

Chemical Composition and Oxidation State of Iron-Containing Aerosol Particles Over West Antarctic Peninsula

NASA Astrophysics Data System (ADS)

Fan, S.; Yu, S.; Lai, B.; Gao, Y.

2017-12-01

Iron is a limiting micronutrient element critical for the marine ecosystem. In the extensive high-nutrient low-chlorophyll (HNLC) regions of the Southern Ocean, the activities of phytoplankton are partly controlled by iron (Fe) from different sources, including atmospheric deposition. Among important properties of atmospheric Fe are the elemental composition and Fe oxidation state of Fe-containing aerosol particles, as these properties affect aerosol Fe solubility. To explore these issues, aerosol samples were collected at Palmer Station in West Antarctic Peninsula. Samples were analyzed by submicron synchrotron-based X-ray fluorescence (XRF) and X-ray absorption near edge structure (XANES) spectroscopy for the Fe oxidation state and elemental composition of aerosol particles. The morphological information of aerosol particles was also observed by the high-resolution fluorescence microscopy, revealing possible sources and formation processes of iron-containing particles. More detailed results will be discussed in this presentation.

Thermal elastic properties of liquid Fe-C at high pressure

NASA Astrophysics Data System (ADS)

Shimoyama, Y.; Terasaki, H. G.; Urakawa, S.; Takubo, Y.; Watanuki, T.; Katayama, Y.; Kondo, T.

2015-12-01

Planetary outer core contains some light elements and these elements affect thermo-elastic parameters of pure iron. The effect of light elements on density and bulk modulus of liquid iron is necessary for estimating of these core compositions. Sound velocity of liquid iron alloys is also important for identifying light elements in the core by comparison with observed seismic data. We have measured sound velocity and density of liquid Fe-C simultaneously at high pressure. High pressure experiments were performed using a DIA-type cubic anvil press (SMAP-180) at BL22XU beamline, SPring-8 synchrotron in Japan. Sound velocity (VP) was measured using pulse-echo overlapping method (Higo et al., 2009). Density (ρ) was measured using X-ray absorption method (Katayama et al., 1993). We measured velocity and density of liquid Fe-C between 1.1-5.8 GPa and 1480-1700 K. Obtained density and velocity of Fe-C was found to increase with pressure. This study shows the VP of liquid Fe-C decreased with increasing temperature. Previous study of liquid Fe-S shows little change with increasing temperature at all pressure conditions (Nishida et al., 2013, Jing et al., 2014). We fit the relationship between VP and pressure using Murnaghan's equation of state. We obtained KS0 = 102.5(1.2) GPa, K'S = 5.2(0.4) at 1700 K. Comparison of the present data with previous study, KS is similar to liquid Fe but liquid Fe-S is small. We compared the relation between density and sound velocity of liquid Fe-C. We have found that the behavior of liquid Fe-C is similar to that of liquid Fe in the Birch's plot. The effect of carbon on liquid Fe is small on Birch's plot.

Process for synthesizing compounds from elemental powders and product

DOEpatents

Rabin, B.H.; Wright, R.N.

1993-12-14

A process for synthesizing intermetallic compounds from elemental powders is described. The elemental powders are initially combined in a ratio which approximates the stoichiometric composition of the intermetallic compound. The mixed powders are then formed into a compact which is heat treated at a controlled rate of heating such that an exothermic reaction between the elements is initiated. The heat treatment may be performed under controlled conditions ranging from a vacuum (pressureless sintering) to compression (hot pressing) to produce a desired densification of the intermetallic compound. In a preferred form of the invention, elemental powders of Fe and Al are combined to form aluminide compounds of Fe[sub 3] Al and FeAl. 25 figures.

Process for synthesizing compounds from elemental powders and product

DOEpatents

Rabin, Barry H.; Wright, Richard N.

1993-01-01

A process for synthesizing intermetallic compounds from elemental powders. The elemental powders are initially combined in a ratio which approximates the stoichiometric composition of the intermetallic compound. The mixed powders are then formed into a compact which is heat treated at a controlled rate of heating such that an exothermic reaction between the elements is initiated. The heat treatment may be performed under controlled conditions ranging from a vacuum (pressureless sintering) to compression (hot pressing) to produce a desired densification of the intermetallic compound. In a preferred form of the invention, elemental powders of Fe and Al are combined to form aluminide compounds of Fe.sub.3 Al and FeAl.

Deformation behaviour of Rheocast A356 Al alloy at microlevel considering approximated RVEs

NASA Astrophysics Data System (ADS)

Islam, Sk. Tanbir; Das, Prosenjit; Das, Santanu

2015-03-01

A micromechanical approach is considered here to predict the deformation behaviour of Rheocast A356 (Al-Si-Mg) alloy. Two representative volume elements (RVEs) are modelled in the finite element (FE) framework. Two dimensional approximated microstructures are generated assuming elliptic grains, based on the grain size, shape factor and area fraction of the primary Al phase of the said alloy at different processing condition. Plastic instability is shown using stress and strain distribution between the Al rich primary and Si rich eutectic phases under different boundary conditions. Boundary conditions are applied on the approximated RVEs in such a manner, so that they represent the real life situation depending on their position on a cylindrical tensile test sample. FE analysis is carried out using commercial finite element code ABAQUS without specifying any damage or failure criteria. Micro-level in-homogeneity leads to incompatible deformation between the constituent phases of the rheocast alloy and steers plastic strain localisation. Plastic stain localised regions within the RVEs are predicted as the favourable sites for void nucleation. Subsequent growth of nucleated voids leads to final failure of the materials under investigation.

A finite element head and neck model as a supportive tool for deformable image registration.

PubMed

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.

The iron-nickel-phosphorus system: Effects on the distribution of trace elements during the evolution of iron meteorites

NASA Astrophysics Data System (ADS)

Corrigan, Catherine M.; Chabot, Nancy L.; McCoy, Timothy J.; McDonough, William F.; Watson, Heather C.; Saslow, Sarah A.; Ash, Richard D.

2009-05-01

To better understand the partitioning behavior of elements during the formation and evolution of iron meteorites, two sets of experiments were conducted at 1 atm in the Fe-Ni-P system. The first set examined the effect of P on solid metal/liquid metal partitioning behavior of 22 elements, while the other set explored the effect of the crystal structures of body-centered cubic (α)- and face-centered cubic (γ)-solid Fe alloys on partitioning behavior. Overall, the effect of P on the partition coefficients for the majority of the elements was minimal. As, Au, Ga, Ge, Ir, Os, Pt, Re, and Sb showed slightly increasing partition coefficients with increasing P-content of the metallic liquid. Co, Cu, Pd, and Sn showed constant partition coefficients. Rh, Ru, W, and Mo showed phosphorophile (P-loving) tendencies. Parameterization models were applied to solid metal/liquid metal results for 12 elements. As, Au, Pt, and Re failed to match previous parameterization models, requiring the determination of separate parameters for the Fe-Ni-S and Fe-Ni-P systems. Experiments with coexisting α and γ Fe alloy solids produced partitioning ratios close to unity, indicating that an α versus γ Fe alloy crystal structure has only a minor influence on the partitioning behaviors of the trace element studied. A simple relationship between an element's natural crystal structure and its α/γ partitioning ratio was not observed. If an iron meteorite crystallizes from a single metallic liquid that contains both S and P, the effect of P on the distribution of elements between the crystallizing solids and the residual liquid will be minor in comparison to the effect of S. This indicates that to a first order, fractional crystallization models of the Fe-Ni-S-P system that do not take into account P are appropriate for interpreting the evolution of iron meteorites if the effects of S are appropriately included in the effort.

Abundances of neutron-capture elements in stars of the Galactic disk substructures

NASA Astrophysics Data System (ADS)

Mishenina, T. V.; Pignatari, M.; Korotin, S. A.; Soubiran, C.; Charbonnel, C.; Thielemann, F.-K.; Gorbaneva, T. I.; Basak, N. Yu.

2013-04-01

Aims: The aim of this work is to present and discuss the observations of the iron peak (Fe, Ni) and neutron-capture element (Y, Zr, Ba, La, Ce, Nd, Sm, and Eu) abundances for 276 FGK dwarfs, located in the Galactic disk with metallicity -1 < [Fe/H] < +0.3. Methods: Atmospheric parameters and chemical composition of the studied stars were determined from an high resolution, high signal-to-noise echelle spectra obtained with the echelle spectrograph ELODIE at the Observatoire de Haute-Provence (France). Effective temperatures were estimated by the line depth ratio method and from the Hα line-wing fitting. Surface gravities (log g) were determined by parallaxes and the ionization balance of iron. Abundance determinations were carried out using the LTE approach, taking the hyperfine structure for Eu into account, and the abundance of Ba was computed under the NLTE approximation. Results: We are able to assign most of the stars in our sample to the substructures of the Galaxy thick disk, thin disk, or Hercules stream according to their kinematics. The classification of 27 stars is uncertain. For most of the stars in the sample, the abundances of neutron-capture elements have not been measured earlier. For all of them, we provide the chemical composition and discuss the contribution from different nucleosynthesis processes. Conclusions: The [Ni/Fe] ratio shows a flat value close to the solar one for the whole metallicity range, with a small scatter, pointing to a nearly solar Ni/Fe ratio for the ejecta of both core-collapse SN and SNIa. The increase in the [Ni/Fe] for metallicity higher than solar is confirmed, and it is due to the metallicity dependence of 56Ni ejecta from SNIa. Under large uncertainty in the age determination of observed stars, we verified that there is a large dispersion in the AMR in the thin disk, and no clear trend as in the thick disk. That may be one of the main reasons for the dispersion, observed for the s-process elements in the thin disk (e.g., Ba and La), whereas much narrower dispersion can be seen for r-process elements (e.g., Eu). Within the current uncertainties, we do not see a clear decreasing trend of [Ba/Fe] or [La/Fe] with metallicity in the thin disk, except maybe for super-solar metallicities. We cannot confirm an increase in the mentioned ratios with decreasing stellar age. Based on spectra collected with the ELODIE spectrograph at the 1.93-m telescope of the Observatoire de Haute Provence (France).Tables 4 and 5 are only available at the CDS via anonymous ftp to ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/552/A128

Multi-scale finite element modeling of strain localization in geomaterials with strong discontinuity

NASA Astrophysics Data System (ADS)

Lai, Timothy Yu

2002-01-01

Geomaterials such as soils and rocks undergo strain localization during various loading conditions. Strain localization manifests itself in the form of a shear band, a narrow zone of intense straining. It is now generally recognized that these localized deformations lead to an accelerated softening response and influence the response of structures at or near failure. In order to accurately predict the behavior of geotechnical structures, the effects of strain localization must be included in any model developed. In this thesis, a multi-scale Finite Element (FE) model has been developed that captures the macro- and micro-field deformation patterns present during strain localization. The FE model uses a strong discontinuity approach where a jump in the displacement field is assumed. The onset of strain localization is detected using bifurcation theory that checks when the governing equations lose ellipticity. Two types of bifurcation, continuous and discontinuous are considered. Precise conditions for plane strain loading conditions are reported for each type of bifurcation. Post-localization behavior is governed by the traction relations on the band. Different plasticity models such as Mohr-Coulomb, Drucker-Prager and a Modified Mohr-Coulomb yield were implemented together with cohesion softening and cutoff for the post-localization behavior. The FE model is implemented into a FORTRAN code SPIN2D-LOC using enhanced constant strain triangular (CST) elements. The model is formulated using standard Galerkin finite element method, applicable to problems under undrained conditions and small deformation theory. A band-tracing algorithm is implemented to track the propagation of the shear band. To validate the model, several simulations are performed from simple compression test of soft rock to simulation of a full-scale geosynthetic reinforced soil wall model undergoing strain localization. Results from both standard and enhanced FE method are included for comparison. The resulting load-displacement curves show that the model can represent the softening behavior of geomaterials once strain localization is detected. The orientation of the shear band is found to depend on both the friction and dilation angle of the geomaterial. For most practical problems, slight mesh dependency can be expected but is associated with the standard FE interpolation rather than the strong discontinuity enhancements.

Concentrations of trace elements in American alligators (Alligator mississippiensis) from Florida, USA.

PubMed

Horai, Sawako; Itai, Takaaki; Noguchi, Takako; Yasuda, Yusuke; Adachi, Haruki; Hyobu, Yuika; Riyadi, Adi S; Boggs, Ashley S P; Lowers, Russell; Guillette, Louis J; Tanabe, Shinsuke

2014-08-01

Concentrations of 28 trace elements (Li, Mg, Al, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, As, Se, Rb, Sr, Mo, Ag, Cd, In, Sn, Sb, Cs, Tl, Hg, Pb, and Bi) in the livers of juvenile and adult American alligators inhabiting two central Florida lakes, Lake Apopka (LA), and Lake Woodruff National Wildlife Refuge (LW) and one lagoon population located in Merritt Island National Wildlife Refuge (MINWR; NASA), were determined. In juveniles from MINWR, concentrations of nine elements (Li, Fe, Ni, Sr, In, Sb, Hg, Pb and Bi) were significantly higher, whereas six elements (V, Fe, As, Sr, Hg and Bi) were elevated in adults (p<0.05) obtained from MINWR. Significant enrichment of some trace elements in adults, relative to juveniles, was observed at all three sampling areas. Specifically, Fe, Pb and Hg were significantly elevated in adults when compared to juveniles, suggesting age-dependent accumulation of these elements. Further, As, Se and Sn showed the same trend but only in animals collected from MINWR. Mean Fe concentrations in the livers of adults from LA, LW and MINWR were 1770 μg g(-1) DW, 3690 μg g(-1) DW and 5250 μg g(-1) DW, respectively. More than half of the adult specimens from LW and MINWR exhibited elevated hepatic Fe concentrations that exceed the threshold value for toxic effects in donkey, red deer and human. These results prompted us to express our concern on possible exposure and health effects in American alligators by some trace elements derived from NASA activities. Copyright © 2014 Elsevier Ltd. All rights reserved.

Ab initio study of Fe{sub 2}MnZ (Al, Si, Ge) Heusler alloy using GGA approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jain, Vivek Kumar, E-mail: vivek.jain129@gmail.com; Jain, Vishal, E-mail: vivek.jain129@gmail.com; Lakshmi, N., E-mail: vivek.jain129@gmail.com

Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe{sub 2}MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z element is negative and less than 0.1 μ{sub B}. Spin polarization calculations evidence 100% spin polarization for Fe{sub 2}MnSi. Fe{sub 2}MnAl and Fe{sub 2}MnGe show metallic behavior with 93%, 98% spin polarization.

Integrating MRI-based geometry, composition and fiber architecture in a finite element model of the human intervertebral disc.

PubMed

Stadelmann, Marc A; Maquer, Ghislain; Voumard, Benjamin; Grant, Aaron; Hackney, David B; Vermathen, Peter; Alkalay, Ron N; Zysset, Philippe K

2018-05-17

Intervertebral disc degeneration is a common disease that is often related to impaired mechanical function, herniations and chronic back pain. The degenerative process induces alterations of the disc's shape, composition and structure that can be visualized in vivo using magnetic resonance imaging (MRI). Numerical tools such as finite element analysis (FEA) have the potential to relate MRI-based information to the altered mechanical behavior of the disc. However, in terms of geometry, composition and fiber architecture, current FE models rely on observations made on healthy discs and might therefore not be well suited to study the degeneration process. To address the issue, we propose a new, more realistic FE methodology based on diffusion tensor imaging (DTI). For this study, a human disc joint was imaged in a high-field MR scanner with proton-density weighted (PD) and DTI sequences. The PD image was segmented and an anatomy-specific mesh was generated. Assuming accordance between local principal diffusion direction and local mean collagen fiber alignment, corresponding fiber angles were assigned to each element. Those element-wise fiber directions and PD intensities allowed the homogenized model to smoothly account for composition and fibrous structure of the disc. The disc's in vitro mechanical behavior was quantified under tension, compression, flexion, extension, lateral bending and rotation. The six resulting load-displacement curves could be replicated by the FE model, which supports our approach as a first proof of concept towards patient-specific disc modeling. Copyright © 2018 Elsevier Ltd. All rights reserved.

The Applicability of the Generalized Method of Cells for Analyzing Discontinuously Reinforced Composites

NASA Technical Reports Server (NTRS)

Pahr, D. H.; Arnold, S. M.

2001-01-01

The paper begins with a short overview of the recent work done in the field of discontinuous reinforced composites, focusing on the different parameters which influence the material behavior of discontinuous reinforced composites, as well as the various analysis approaches undertaken. Based on this overview it became evident, that in order to investigate the enumerated effects in an efficient and comprehensive manner, an alternative approach to the computationally intensive finite-element based micromechanics approach is required. Therefore, an investigation is conducted to demonstrate the utility of utilizing the generalized method of cells (GMC), a semi-analytical micromechanics-based approach, to simulate the elastic and elastoplastic material behavior of aligned short fiber composites. The results are compared with (1) simulations using other micromechanical based mean field models and finite element (FE) unit cell models found in the literature given elastic material behavior, as well as (2) finite element unit cell and a new semianalytical elastoplastic shear lag model in the inelastic range. GMC is shown to definitely have a window of applicability when simulating discontinuously reinforced composite material behavior.

The Applicability of the Generalized Method of Cells for Analyzing Discontinuously Reinforced Composites

NASA Technical Reports Server (NTRS)

Pahr, D. H.; Arnold, S. M.

2001-01-01

The paper begins with a short overview of the recent work done in the field of discontinuous reinforced composites, focusing on the different parameters which influence the material behavior of discontinuous reinforced composites, as well as the various analysis approaches undertaken. Based on this overview it became evident that in order to investigate the enumerated effects in an efficient and comprehensive manner, an alternative approach to the computationally intensive finite-element based micromechanics approach is required. Therefore, an investigation is conducted to demonstrate the utility of utilizing the generalized method of cells (GMC), a semi-analytical micromechanics-based approach, to simulate the elastic and elastoplastic material behavior of aligned short fiber composites. The results are compared with simulations using other micromechanical based mean field models and finite element (FE) unit cell models found in the literature given elastic material behavior, as well as finite element unit cell and a new semianalytical elastoplastic shear lag model in the inelastic range. GMC is shown to definitely have a window of applicability when simulating discontinuously reinforced composite material behavior.

A Computationally-Efficient Inverse Approach to Probabilistic Strain-Based Damage Diagnosis

NASA Technical Reports Server (NTRS)

Warner, James E.; Hochhalter, Jacob D.; Leser, William P.; Leser, Patrick E.; Newman, John A

2016-01-01

This work presents a computationally-efficient inverse approach to probabilistic damage diagnosis. Given strain data at a limited number of measurement locations, Bayesian inference and Markov Chain Monte Carlo (MCMC) sampling are used to estimate probability distributions of the unknown location, size, and orientation of damage. Substantial computational speedup is obtained by replacing a three-dimensional finite element (FE) model with an efficient surrogate model. The approach is experimentally validated on cracked test specimens where full field strains are determined using digital image correlation (DIC). Access to full field DIC data allows for testing of different hypothetical sensor arrangements, facilitating the study of strain-based diagnosis effectiveness as the distance between damage and measurement locations increases. The ability of the framework to effectively perform both probabilistic damage localization and characterization in cracked plates is demonstrated and the impact of measurement location on uncertainty in the predictions is shown. Furthermore, the analysis time to produce these predictions is orders of magnitude less than a baseline Bayesian approach with the FE method by utilizing surrogate modeling and effective numerical sampling approaches.

A case of Alzheimer's disease in magmatic crystals

NASA Astrophysics Data System (ADS)

Costa Rodriguez, F.; Bouvet de Maisonneuve, C.

2012-12-01

The reequilibration of chemical zoning in crystals from volcanic rocks is increasingly used to determine the duration of the processes involved in their origin, residence and transport. There now exist a good number of determinations of diffusion coefficients in olivine (Fe-Mg, Mn, Ca, Ni, Cr), plagioclase (CaAl-NaSi, Mg, Sr, Ba, REE), pyroxenes (Fe-Mg, Mn, Ca, REE) and quartz (Ti), but most studies have used a single element or component in a single mineral group. Although this is a good approach, it can only access a limited range of time scales, typically the short-term memory of the crystal. In other words, for process durations that are longer than the combination of the diffusivity and diffusion distance (and for a constant boundary), the long-term memory of the crystal might have been lost. This could explain why most time determinations of magmatic processes from volcanic rocks give times of about < 100 years, and why these are shorter than the thousands of years obtained from U-Th series disequilibrium isotopes. We have done a series of numerical calculations and natural observation to determine the time windows that can be accessed with different elements and minerals, and how they may affect the time scales and interpretations of processes that the crystals might be recording. We have looked at two end-members representative of mafic and silicic magmas by changing the temperature and mineral compositions. 3 dimensional calculations of diffusion reequilibration at the center of a 1 x 0.5 x 0.5 mm crystal and using a constant boundary as first case. We find that for mafic magma and olivine, 90 % of equilibration of Fe-Mg, Mn, and Ni occurs in a few decades, but gradients in Ca and Cr persist for a few thousand years. These results can for example explain the large ranges of Ca and Cr contents at a given Fe/Mg of olivine, and why apparently contradictory times can be obtained from elements with different diffusivities in the same crystal. At the same time these findings also highlight that there is a long-term memory of the crystal that is typically not accessed by current studies. However, unraveling this memory is more complex because it seems unrealistic to assume a constant composition at the boundary for hundreds or thousands of years, and because crystals can be growing and dissolving multiple times. Additional models considering growth and a variable boundary show that a significant part of the memory is lost by multiple changes in concentration being superimposed at the crystal rim. Here we also report a case where accessing the older history of the crystals might be possible by a combination of X-Ray element maps plus multiple element zoning traverses (Fe-Mg, Ca, Mn, Ni, Al, P, Cr) in olivine from Llaima volcano (Chile). Element distributions reveal that the crystals had an early history of fast growth. The delicate structures of P zoning have been used to recognize any crystal dissolution. Cr, Fe-Mg, Ni, Mn are zoned but the times obtained from Cr are 4 x longer than those of the other elements. Our interpretation is that the Cr zoning records the older memory of the crystal since eruption but that of Fe-Mg has lost part of the memory due to multiple changes at the rim or complete homogenization of the crystal. Thus using multiple elements and minerals allow accessing the long and short term memory of the crystals and associated magma.

The mass balance of soil evolution on late Quaternary marine terraces, northern California

NASA Technical Reports Server (NTRS)

Merritts, Dorothy J.; Chadwick, Oliver A.; Hendricks, David M.; Brimhall, George H.; Lewis, Christopher J.

1992-01-01

Mass-balance interpretation of a soil chronosequence provides a means of quantifying elemental addition, removal, and transformation that occur in soils from a flight of marine terraces in northern California. Six soil profiles that range in age from several to 240,000 yr are developed in unconsolidated, sandy-marine, and eolian parent material deposited on bedrock marine platforms. Soil evolution is dominated by (1) open-system depletion of Si, Ca, Mg, K, and Na; (2) open-system enrichment of P in surface soil horizons; (3) relative immobility of Fe and Al; and (4) transformation of Fe, Si, and Al in the parent material to secondary clay minerals and sesquioxides. Net mass losses of bases and Si are generally uniform with depth and substantial, in some cases approaching 100 percent; however, the rate of loss of each element differs markedly, causing the ranking of each by relative abundance to shift with time. Loss of Si from the sand fraction by dissolution and particle-size diminution, from about 100 percent to less than 35 percent over 240 ky, mirrors a similar gain in the silt and clay size fractions. The Fe originally present in the sand fraction decreases from greater than 80 percent to less than 10 percent, whereas the amount of Fe present in the clay and crystalline oxyhydroxide fractions increases to 25 percent and 70 percent, respectively.

Minor element distribution in iron disulfides in coal: a geochemical review

USGS Publications Warehouse

Kolker, Allan

2012-01-01

Electron beam microanalysis of coal samples in U.S. Geological Survey (USGS) labs confirms that As is the most abundant minor constituent in Fe disulfides in coal and that Se, Ni, and other minor constituents are present less commonly and at lower concentrations than those for As. In nearly all cases, Hg occurs in Fe disulfides in coal at concentrations below detection by electron beam instruments. Its presence is shown by laser ablation ICP-MS, by selective leaching studies of bulk coal, and by correlation with Fe disulfide proxies such as total Fe and pyritic sulfur. Multiple generations of Fe disulfides are present in coal. These commonly show grain-to-grain and within-grain minor- or trace element compositional variation that is a function of the early diagenetic, coalification, and post-coalification history of the coal. Framboidal pyrite is almost always the earliest Fe disulfide generation, as shown by overgrowths of later Fe disulfides which may include pyrite or marcasite. Cleat- (or vein) pyrite (or marcasite) is typically the latest Fe disulfide generation, as shown by cross-cutting relations. Cleat pyrite forms by fluid migration within a coal basin and consequently may be enriched in elements such as As by deposition from compaction-driven fluids, metal enriched basinal brines or hydrothermal fluids. In some cases, framboidal pyrite shows preferential Ni enrichment with respect to co-occurring pyrite forms. This is consistent with bacterial complexing of metals in anoxic sediments and derivation of framboidal pyrite from greigite (Fe3S4), an Fe monosulfide precursor to framboidal pyrite having the thio-spinel structure which accommodates transition metals. Elements such as As, Se, and Sb substitute for S in the pyrite structure whereas metals, including transition metals, Hg and Pb, are thought to substitute for Fe. Understanding the distribution of minor and trace elements in Fe disulfides in coal has important implications for their availability to the environment through coal mining and use, as well as for potential reduction by coal preparation, and for delineating diagenetic compositional changes throughout and after coal formation.

Seasonal differences in trace element concentrations and distribution in Spartina alterniflora root tissue

DOE PAGES

Feng, Huan; Qian, Yu; Cochran, J. Kirk; ...

2018-04-13

This study uses nanometer-scale synchrotron X-ray nanofluorescence to investigate season differences in concentrations and distributions of major (Ca, K, S and P) and trace elements (As, Cr, Cu, Fe and Zn) in the root system of Spartina alterniflora collected from Jamaica Bay, New York, in April and September 2015. The root samples were cross-sectioned at a thickness of 10 μm. Selected areas in the root epidermis and endodermis were mapped with a sampling resolution of 100 and 200 nm, varying with the mapping areas. The results indicate that trace element concentrations in the epidermis and endodermis vary among the elementsmore » measured, possibly because of their different chemical properties or their ability to act as micronutrients for the plants. Elemental concentrations (As, Ca, Cr, Cu, Fe, K, P, S and Zn) within each individual root sample and between the root samples collected during two different seasons are both significantly different (p < 0.01). Furthermore, this study indicates that the nonessential elements (As and Cr) are significantly correlated (p < 0.01) with Fe, with high concentrations in the root epidermis, while others are not, implying that Fe may be a barrier to nonessential element transport in the root system. Hierarchy cluster analysis shows two distinct groups, one including As, Cr and Fe and the other the rest of the elements measured. Factor analysis also indicates that the processes and mechanisms controlling element transport in the root system can be different between the nutrient and nonessential elements.« less

Seasonal differences in trace element concentrations and distribution in Spartina alterniflora root tissue

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Huan; Qian, Yu; Cochran, J. Kirk

This study uses nanometer-scale synchrotron X-ray nanofluorescence to investigate season differences in concentrations and distributions of major (Ca, K, S and P) and trace elements (As, Cr, Cu, Fe and Zn) in the root system of Spartina alterniflora collected from Jamaica Bay, New York, in April and September 2015. The root samples were cross-sectioned at a thickness of 10 μm. Selected areas in the root epidermis and endodermis were mapped with a sampling resolution of 100 and 200 nm, varying with the mapping areas. The results indicate that trace element concentrations in the epidermis and endodermis vary among the elementsmore » measured, possibly because of their different chemical properties or their ability to act as micronutrients for the plants. Elemental concentrations (As, Ca, Cr, Cu, Fe, K, P, S and Zn) within each individual root sample and between the root samples collected during two different seasons are both significantly different (p < 0.01). Furthermore, this study indicates that the nonessential elements (As and Cr) are significantly correlated (p < 0.01) with Fe, with high concentrations in the root epidermis, while others are not, implying that Fe may be a barrier to nonessential element transport in the root system. Hierarchy cluster analysis shows two distinct groups, one including As, Cr and Fe and the other the rest of the elements measured. Factor analysis also indicates that the processes and mechanisms controlling element transport in the root system can be different between the nutrient and nonessential elements.« less

What has finite element analysis taught us about diabetic foot disease and its management? A systematic review.

PubMed

Telfer, Scott; Erdemir, Ahmet; Woodburn, James; Cavanagh, Peter R

2014-01-01

Over the past two decades finite element (FE) analysis has become a popular tool for researchers seeking to simulate the biomechanics of the healthy and diabetic foot. The primary aims of these simulations have been to improve our understanding of the foot's complicated mechanical loading in health and disease and to inform interventions designed to prevent plantar ulceration, a major complication of diabetes. This article provides a systematic review and summary of the findings from FE analysis-based computational simulations of the diabetic foot. A systematic literature search was carried out and 31 relevant articles were identified covering three primary themes: methodological aspects relevant to modelling the diabetic foot; investigations of the pathomechanics of the diabetic foot; and simulation-based design of interventions to reduce ulceration risk. Methodological studies illustrated appropriate use of FE analysis for simulation of foot mechanics, incorporating nonlinear tissue mechanics, contact and rigid body movements. FE studies of pathomechanics have provided estimates of internal soft tissue stresses, and suggest that such stresses may often be considerably larger than those measured at the plantar surface and are proportionally greater in the diabetic foot compared to controls. FE analysis allowed evaluation of insole performance and development of new insole designs, footwear and corrective surgery to effectively provide intervention strategies. The technique also presents the opportunity to simulate the effect of changes associated with the diabetic foot on non-mechanical factors such as blood supply to local tissues. While significant advancement in diabetic foot research has been made possible by the use of FE analysis, translational utility of this powerful tool for routine clinical care at the patient level requires adoption of cost-effective (both in terms of labour and computation) and reliable approaches with clear clinical validity for decision making.

The Sequential Application of Macroalgal Biosorbents for the Bioremediation of a Complex Industrial Effluent

PubMed Central

Kidgell, Joel T.; de Nys, Rocky; Paul, Nicholas A.; Roberts, David A.

2014-01-01

Fe-treated biochar and raw biochar produced from macroalgae are effective biosorbents of metalloids and metals, respectively. However, the treatment of complex effluents that contain both metalloid and metal contaminants presents a challenging scenario. We test a multiple-biosorbent approach to bioremediation using Fe-biochar and biochar to remediate both metalloids and metals from the effluent from a coal-fired power station. First, a model was derived from published data for this effluent to predict the biosorption of 21 elements by Fe-biochar and biochar. The modelled outputs were then used to design biosorption experiments using Fe-biochar and biochar, both simultaneously and in sequence, to treat effluent containing multiple contaminants in excess of water quality criteria. The waste water was produced during ash disposal at an Australian coal-fired power station. The application of Fe-biochar and biochar, either simultaneously or sequentially, resulted in a more comprehensive remediation of metalloids and metals compared to either biosorbent used individually. The most effective treatment was the sequential use of Fe-biochar to remove metalloids from the waste water, followed by biochar to remove metals. Al, Cd, Cr, Cu, Mn, Ni, Pb, Zn were reduced to the lowest concentration following the sequential application of the two biosorbents, and their final concentrations were predicted by the model. Overall, 17 of the 21 elements measured were remediated to, or below, the concentrations that were predicted by the model. Both metalloids and metals can be remediated from complex effluent using biosorbents with different characteristics but derived from a single feedstock. Furthermore, the extent of remediation can be predicted for similar effluents using additive models. PMID:25061756

Above-knee prosthesis design based on fatigue life using finite element method and design of experiment.

PubMed

Phanphet, Suwattanarwong; Dechjarern, Surangsee; Jomjanyong, Sermkiat

2017-05-01

The main objective of this work is to improve the standard of the existing design of knee prosthesis developed by Thailand's Prostheses Foundation of Her Royal Highness The Princess Mother. The experimental structural tests, based on the ISO 10328, of the existing design showed that a few components failed due to fatigue under normal cyclic loading below the required number of cycles. The finite element (FE) simulations of structural tests on the knee prosthesis were carried out. Fatigue life predictions of knee component materials were modeled based on the Morrow's approach. The fatigue life prediction based on the FE model result was validated with the corresponding structural test and the results agreed well. The new designs of the failed components were studied using the design of experimental approach and finite element analysis of the ISO 10328 structural test of knee prostheses under two separated loading cases. Under ultimate loading, knee prosthesis peak von Mises stress must be less than the yield strength of knee component's material and the total knee deflection must be lower than 2.5mm. The fatigue life prediction of all knee components must be higher than 3,000,000 cycles under normal cyclic loading. The design parameters are the thickness of joint bars, the diameter of lower connector and the thickness of absorber-stopper. The optimized knee prosthesis design meeting all the requirements was recommended. Experimental ISO 10328 structural test of the fabricated knee prosthesis based on the optimized design confirmed the finite element prediction. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

Cosmic-ray energy spectra between 10 and several hundred GeV per atomic mass unit for elements from Ar-18 to Ni-28 - Results from HEAO 3

NASA Technical Reports Server (NTRS)

Binns, W. R.; Israel, M. H.; Jones, Michael D.; Kamionkowski, M. P.; Garrard, T. L.

1988-01-01

Results from the Heavy Nuclei experiment on HEAO 3 are used to determine the primary abundances of Ni and Fe. Ni and Fe are found to have nearly constant relative abundances over the interval of 10 to about 500 GeV per amu. Individual secondary elements derived principally from interactions of primary Fe nuclei are shown to display a power-law decrease in relative abundance up to about 150 GeV per amu. Ar/Fe and Ca/Fe ratios of 2.6 + or - 0.7 percent and 8.8 + or - 0.7 percent, respectively, are found, confirming a fractionation of source abundances in which elements with high values of the first ionization potential are depleted relative to those with low first ionization potential.

A novel multi-functional magnetic Fe-Ti-V spinel catalyst for elemental mercury capture and callback from flue gas.

PubMed

Yang, Shijian; Guo, Yongfu; Yan, Naiqiang; Wu, Daqing; He, Hongping; Xie, Jiangkun; Qu, Zan; Yang, Chen; Jia, Jinping

2010-11-28

A novel magnetic Fe-Ti-V spinel catalyst showed an excellent performance for elemental mercury capture at 100 °C, and the formed HgO can be catalytically decomposed by the catalyst at 300 °C to reclaim elemental mercury and regenerate the catalyst.

Formation, Phase, and Elemental Composition of Micro- and Nano-Dimensional Particles of the Fe-Ti System

NASA Astrophysics Data System (ADS)

Dresvyannikov, A. F.; Kolpakov, M. E.

2018-05-01

X-ray fluorescence, X-ray phase analysis, and transmission Mössbauer and NGR spectrometry are used to study the formation, phase, and elemental composition of Fe-Ti particles. The interaction between Fe(III) ions and dispersed titanium in an aqueous solution containing chloride ions and HF is studied. It is shown that the resulting Fe-Ti samples are a set of core-shell microparticles with titanium cores coated with micro- and nanosized α-Fe nucleation centers with the thinness outer layer of iron(III) oxide characterized by a developed surface.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stavrou, Elissaios; Yao, Yansun; Goncharov, Alexander F.

In this study, using in situ synchrotron x-ray diffraction and Raman spectroscopy in concert with first principles calculations we demonstrate the synthesis of stable Xe(Fe ,Fe/Ni) 3 and XeNi 3 compounds at thermodynamic conditions representative of Earth’s core. Surprisingly, in the case of both the Xe-Fe and Xe-Ni systems Fe and Ni become highly electronegative and can act as oxidants. In conclusion, the results indicate the changing chemical properties of elements under extreme conditions by documenting that electropositive at ambient pressure elements could gain electrons and form anions.

Finite element modelling to assess the effect of surface mounted piezoelectric patch size on vibration response of a hybrid beam

NASA Astrophysics Data System (ADS)

Rahman, N.; Alam, M. N.

2018-02-01

Vibration response analysis of a hybrid beam with surface mounted patch piezoelectric layer is presented in this work. A one dimensional finite element (1D-FE) model based on efficient layerwise (zigzag) theory is used for the analysis. The beam element has eight mechanical and a variable number of electrical degrees of freedom. The beams are also modelled in 2D-FE (ABAQUS) using a plane stress piezoelectric quadrilateral element for piezo layers and a plane stress quadrilateral element for the elastic layers of hybrid beams. Results are presented to assess the effect of size of piezoelectric patch layer on the free and forced vibration responses of thin and moderately thick beams under clamped-free and clamped-clamped configurations. The beams are subjected to unit step loading and harmonic loading to obtain the forced vibration responses. The vibration control using in phase actuation potential on piezoelectric patches is also studied. The 1D-FE results are compared with the 2D-FE results.

Drill core major, trace and rare earth element anlayses from wells RN-17B and RN-30, Reykjanes, Iceland

DOE Data Explorer

Andrew Fowler

2015-04-01

Analytical results for X-ray fluorescence (XRF) and inductively coupled plasma mass spectrometry (ICP-MS) measurement of major, trace and rare earth elements in drill core from geothermal wells in Reykjanes, Iceland. Total Fe was analyzed as FeO, therefore is not included under the Fe2O3 column.

Drill cutting and core major, trace and rare earth element anlayses from wells RN-17B and RN-30, Reykjanes, Iceland

DOE Data Explorer

Andrew Fowler

2015-05-01

Analytical results for x-ray fluorescence (XRF) and Inductively Couple Plasma Mass Spectrometry (ICP-MS) measurement of major, trace and rare earth elements in drill cuttings from geothermal wells in Reykjanes, Iceland. Total Fe was analyzed as FeO, therefore is not included under the Fe2O3 column.

Micro Finite Element models of the vertebral body: Validation of local displacement predictions

PubMed Central

Costa, Maria Cristiana; Tozzi, Gianluca; Cristofolini, Luca; Danesi, Valentina; Viceconti, Marco

2017-01-01

The estimation of local and structural mechanical properties of bones with micro Finite Element (microFE) models based on Micro Computed Tomography images depends on the quality bone geometry is captured, reconstructed and modelled. The aim of this study was to validate microFE models predictions of local displacements for vertebral bodies and to evaluate the effect of the elastic tissue modulus on model’s predictions of axial forces. Four porcine thoracic vertebrae were axially compressed in situ, in a step-wise fashion and scanned at approximately 39μm resolution in preloaded and loaded conditions. A global digital volume correlation (DVC) approach was used to compute the full-field displacements. Homogeneous, isotropic and linear elastic microFE models were generated with boundary conditions assigned from the interpolated displacement field measured from the DVC. Measured and predicted local displacements were compared for the cortical and trabecular compartments in the middle of the specimens. Models were run with two different tissue moduli defined from microindentation data (12.0GPa) and a back-calculation procedure (4.6GPa). The predicted sum of axial reaction forces was compared to the experimental values for each specimen. MicroFE models predicted more than 87% of the variation in the displacement measurements (R2 = 0.87–0.99). However, model predictions of axial forces were largely overestimated (80–369%) for a tissue modulus of 12.0GPa, whereas differences in the range 10–80% were found for a back-calculated tissue modulus. The specimen with the lowest density showed a large number of elements strained beyond yield and the highest predictive errors. This study shows that the simplest microFE models can accurately predict quantitatively the local displacements and qualitatively the strain distribution within the vertebral body, independently from the considered bone types. PMID:28700618

Radiative rates for forbidden M1 and E2 transitions of astrophysical interest in doubly ionized iron-peak elements

NASA Astrophysics Data System (ADS)

Fivet, V.; Quinet, P.; Bautista, M. A.

2016-01-01

Aims: Accurate and reliable atomic data for lowly ionized Fe-peak species (Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) are of paramount importance for analyzing the high-resolution astrophysical spectra currently available. The third spectra of several iron group elements have been observed in different galactic sources, such as Herbig-Haro objects in the Orion Nebula and stars like Eta Carinae. However, forbidden M1 and E2 transitions between low-lying metastable levels of doubly charged iron-peak ions have been investigated very little so far, and radiative rates for those lines remain sparse or nonexistent. We attempt to fill that gap and provide transition probabilities for the most important forbidden lines of all doubly ionized iron-peak elements. Methods: We carried out a systematic study of the electronic structure of doubly ionized Fe-peak species. The magnetic dipole (M1) and electric quadrupole (E2) transition probabilities were computed using the pseudo-relativistic Hartree-Fock (HFR) code of Cowan and the central Thomas-Fermi-Dirac-Amaldi potential approximation implemented in AUTOSTRUCTURE. This multiplatform approach allowed for consistency checks and intercomparison and has proven very useful in many previous works for estimating the uncertainties affecting the radiative data. Results: We present transition probabilities for the M1 and E2 forbidden lines depopulating the metastable even levels belonging to the 3dk and 3dk-14s configurations in Sc III (k = 1), Ti III (k = 2), V III (k = 3), Cr III (k = 4), Mn III (k = 5), Fe III (k = 6), Co III (k = 7), and Ni III (k = 8).

Determination of Mechanical Properties of Spatially Heterogeneous Breast Tissue Specimens Using Contact Mode Atomic Force Microscopy (AFM)

PubMed Central

Roy, Rajarshi; Desai, Jaydev P.

2016-01-01

This paper outlines a comprehensive parametric approach for quantifying mechanical properties of spatially heterogeneous thin biological specimens such as human breast tissue using contact-mode Atomic Force Microscopy. Using inverse finite element (FE) analysis of spherical nanoindentation, the force response from hyperelastic material models is compared with the predicted force response from existing analytical contact models, and a sensitivity study is carried out to assess uniqueness of the inverse FE solution. Furthermore, an automation strategy is proposed to analyze AFM force curves with varying levels of material nonlinearity with minimal user intervention. Implementation of our approach on an elastic map acquired from raster AFM indentation of breast tissue specimens indicates that a judicious combination of analytical and numerical techniques allow more accurate interpretation of AFM indentation data compared to relying on purely analytical contact models, while keeping the computational cost associated an inverse FE solution with reasonable limits. The results reported in this study have several implications in performing unsupervised data analysis on AFM indentation measurements on a wide variety of heterogeneous biomaterials. PMID:25015130

Multi-scale Modeling of the Impact Response of a Strain Rate Sensitive High-Manganese Austenitic Steel

NASA Astrophysics Data System (ADS)

Önal, Orkun; Ozmenci, Cemre; Canadinc, Demircan

2014-09-01

A multi-scale modeling approach was applied to predict the impact response of a strain rate sensitive high-manganese austenitic steel. The roles of texture, geometry and strain rate sensitivity were successfully taken into account all at once by coupling crystal plasticity and finite element (FE) analysis. Specifically, crystal plasticity was utilized to obtain the multi-axial flow rule at different strain rates based on the experimental deformation response under uniaxial tensile loading. The equivalent stress - equivalent strain response was then incorporated into the FE model for the sake of a more representative hardening rule under impact loading. The current results demonstrate that reliable predictions can be obtained by proper coupling of crystal plasticity and FE analysis even if the experimental flow rule of the material is acquired under uniaxial loading and at moderate strain rates that are significantly slower than those attained during impact loading. Furthermore, the current findings also demonstrate the need for an experiment-based multi-scale modeling approach for the sake of reliable predictions of the impact response.

SHM-Based Probabilistic Fatigue Life Prediction for Bridges Based on FE Model Updating

PubMed Central

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

[Effect of muscle biofidelity on thoracic impact biomechanical response of a six-year-old child using finite element method].

PubMed

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.

[Analysis of mineral elements in different organs at different harvesting times of Schizonepeta tenuifolia on ICP-AES].

PubMed

Shan, Ming-Qiu; Yu, Sheng; Yu, Li-Xia; Ding, An-Wei

2014-02-01

To study the main storage organ of each mineral element in Schizonepeta tenuifolia, and explain its reasonable harvesting time and medicinal parts in view of mineral elements. The mineral elements of Schizonepeta tenuifolia in different organs at different harvesting times were determined by ICP-AES technique. The mineral elements, K, Ca, Na, P, Mg, Mn, Zn, Cu, Fe, Mo, were determined in the study. The results showed that at different harvesting times, (1) the contents of K, P, Cu in fringe and the contents of Mg, Ca, Na, Fe, Mn, Zn in leaf were highest among different organs. (2) among the macroelements, the contents of K and Ca were highest while the content of Na was lowest; among the microelements, the content of Fe was highest while the content of Mo was lowest. (3) in item, the proportion of K:P was highest while the proportion of Zn: Cu was lowest; in fringe, the proportions of Ca:Mg and Fe:Mn were lowest. (4) within the harvest period, variations of the mineral elements were not obvious. In the stem of Schizonepeta tenuifolia, the contents of every mineral elements were lower than other organs, including leaves and spikes. Considering the mineral elements, the correlations of harvesting time and content change were not remarkable.

Analysis of Tire Tractive Performance on Deformable Terrain by Finite Element-Discrete Element Method

NASA Astrophysics Data System (ADS)

Nakashima, Hiroshi; Takatsu, Yuzuru

The goal of this study is to develop a practical and fast simulation tool for soil-tire interaction analysis, where finite element method (FEM) and discrete element method (DEM) are coupled together, and which can be realized on a desktop PC. We have extended our formerly proposed dynamic FE-DE method (FE-DEM) to include practical soil-tire system interaction, where not only the vertical sinkage of a tire, but also the travel of a driven tire was considered. Numerical simulation by FE-DEM is stable, and the relationships between variables, such as load-sinkage and sinkage-travel distance, and the gross tractive effort and running resistance characteristics, are obtained. Moreover, the simulation result is accurate enough to predict the maximum drawbar pull for a given tire, once the appropriate parameter values are provided. Therefore, the developed FE-DEM program can be applied with sufficient accuracy to interaction problems in soil-tire systems.

Model calibration for a soft elastomeric capacitor sensor considering slippage under fatigue cracks

NASA Astrophysics Data System (ADS)

Kong, Xiangxiong; Li, Jian; Bennett, Caroline; Collins, William; Laflamme, Simon

2016-04-01

A newly-developed soft elastomeric capacitor (SEC) strain sensor has shown promise in fatigue crack monitoring. The SECs exhibit high levels of ductility and hence do not break under excessive strain when the substrate cracks due to slippage or de-bonding between the sensor and epoxy. The actual strain experienced by a SEC depends on the amount of slippage, which is difficult to simulate numerically, making it challenging to accurately predict the response of a SEC near a crack. In this paper, a two-step approach is proposed to simulate the capacitance response of a SEC. First, a finite element (FE) model of a steel compact tension specimen was analyzed under cyclic loading while the cracking process was simulated based on an element removal technique. Second, a rectangular boundary was defined near the crack region. The SEC outside the boundary was assumed to have perfect bond with the specimen, while that inside the boundary was assumed to deform freely due to slippage. A second FE model was then established to simulate the response of the SEC within the boundary subject to displacements at the boundary from the first FE model. The total simulated capacitance was computed from the model results by combining the computed capacitance inside and outside the boundary. The performance of the simulation incorporating slippage was evaluated by comparing the model results with the experimental data from the test performed on a compact tension specimen. The FE model considering slippage showed results that matched the experimental findings more closely than the FE model that did not consider slippage.

Finite Element Model and Validation of Nasal Tip Deformation

PubMed Central

Manuel, Cyrus T; Harb, Rani; Badran, Alan; Ho, David; Wong, Brian JF

2016-01-01

Nasal tip mechanical stability is important for functional and cosmetic nasal airway surgery. Palpation of the nasal tip provides information on tip strength to the surgeon, though it is a purely subjective assessment. Providing a means to simulate nasal tip deformation with a validated model can offer a more objective approach in understanding the mechanics and nuances of the nasal tip support and eventual nasal mechanics as a whole. Herein we present validation of a finite element (FE) model of the nose using physical measurements recorded using an ABS plastic-silicone nasal phantom. Three-dimensional photogrammetry was used to capture the geometry of the phantom at rest and while under steady state load. The silicone used to make the phantom was mechanically tested and characterized using a linear elastic constitutive model. Surface point clouds of the silicone and FE model were compared for both the loaded and unloaded state. The average Hausdorff distance between actual measurements and FE simulations across the nose were 0.39mm ± 1.04 mm and deviated up to 2mm at the outermost boundaries of the model. FE simulation and measurements were in near complete agreement in the immediate vicinity of the nasal tip with millimeter accuracy. We have demonstrated validation of a two-component nasal FE model, which could be used to model more complex modes of deformation where direct measurement may be challenging. This is the first step in developing a nasal model to simulate nasal mechanics and ultimately the interaction between geometry and airflow. PMID:27633018

Development and validation of a 10-year-old child ligamentous cervical spine finite element model.

PubMed

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.

Hybrid Seminumerical Simulation Scheme to Predict Transducer Outputs of Acoustic Microscopes.

PubMed

Nierla, Michael; Rupitsch, Stefan J

2016-02-01

We present a seminumerical simulation method called SIRFEM, which enables the efficient prediction of high-frequency transducer outputs. In particular, this is important for acoustic microscopy where the specimen under investigation is immersed in a coupling fluid. Conventional finite-element (FE) simulations for such applications would consume too much computational power due to the required spatial and temporal discretization, especially for the coupling fluid between ultrasonic transducer and specimen. However, FE simulations are in most cases essential to consider the mode conversion at and inside the solid specimen as well as the wave propagation in its interior. SIRFEM reduces the computational effort of pure FE simulations by treating only the solid specimen and a small part of the fluid layer with FE. The propagation in the coupling fluid from transducer to specimen and back is processed by the so-called spatial impulse response (SIR). Through this hybrid approach, the number of elements as well as the number of time steps for the FE simulation can be reduced significantly, as it is presented for an axis-symmetric setup. Three B-mode images of a plane 2-D setup-computed at a transducer center frequency of 20 MHz-show that SIRFEM is, furthermore, able to predict reflections at inner structures as well as multiple reflections between those structures and the specimen's surface. For the purpose of a pure 2-D setup, the SIR of a curved-line transducer is derived and compared to the response function of a cylindrically focused aperture of negligible extend in the third spatial dimension.

Finite Element Model and Validation of Nasal Tip Deformation.

PubMed

Manuel, Cyrus T; Harb, Rani; Badran, Alan; Ho, David; Wong, Brian J F

2017-03-01

Nasal tip mechanical stability is important for functional and cosmetic nasal airway surgery. Palpation of the nasal tip provides information on tip strength to the surgeon, though it is a purely subjective assessment. Providing a means to simulate nasal tip deformation with a validated model can offer a more objective approach in understanding the mechanics and nuances of the nasal tip support and eventual nasal mechanics as a whole. Herein we present validation of a finite element (FE) model of the nose using physical measurements recorded using an ABS plastic-silicone nasal phantom. Three-dimensional photogrammetry was used to capture the geometry of the phantom at rest and while under steady state load. The silicone used to make the phantom was mechanically tested and characterized using a linear elastic constitutive model. Surface point clouds of the silicone and FE model were compared for both the loaded and unloaded state. The average Hausdorff distance between actual measurements and FE simulations across the nose were 0.39 ± 1.04 mm and deviated up to 2 mm at the outermost boundaries of the model. FE simulation and measurements were in near complete agreement in the immediate vicinity of the nasal tip with millimeter accuracy. We have demonstrated validation of a two-component nasal FE model, which could be used to model more complex modes of deformation where direct measurement may be challenging. This is the first step in developing a nasal model to simulate nasal mechanics and ultimately the interaction between geometry and airflow.

Improved fabrication of focused single element P(VDF–TrFE) transducer for high frequency ultrasound applications

PubMed Central

Jeong, Jong Seob; Shung, K. Kirk

2013-01-01

We present an improved fabrication technique for the focused single element poly (vinylidene fluoride–trifluoroethylene) P(VDF–TrFE) transducer. In this work, a conductive epoxy for a backing layer was directly bonded to the 25 μm thick P(VDF–TrFE) film and thus made it easy to conform the aperture of the P(VDF–TrFE) transducer. Two prototype focused P(VDF–TrFE) transducers with disk- and ring-type aperture were fabricated and their performance was evaluated using the UBM (Ultrasound Biomicroscopy) system with a wire phantom. All transducers had a spherically focused aperture with a low f-number (focal depth/aperture size = 1). The center frequency of the disk-type P(VDF–TrFE) transducer was 23 MHz and −6 dB bandwidth was 102%. The ring-type P(VDF–TrFE) transducer had 20 MHz center frequency and −6 dB bandwidth of 103%. The measured pulse echo signal had reduced reverberation due to no additional adhesive layer between the P(VDF–TrFE) film and the backing layer. Hence, the proposed method is promising to fabricate a single element transducer using P(VDF–TrFE) film for high frequency applications. PMID:23021238

Element ratios between digestive gland and gill tissues of the Antarctic bivalve Laternula elliptica as a proxy for element uptake from different environmental sources

NASA Astrophysics Data System (ADS)

Poigner, H.; Monien, D.; Monien, P.; Kriews, M.; Brumsack, H.-J.; Wilhelms-Dick, D.; Abele, D.

2012-04-01

Trace metals in bivalve carbonate shells are frequently used as environmental or paleoclimate proxies. Carbonate mineralogy and animals' physiology affect the incorporation of elements from different environmental sources into bivalve shells. Generally, metals from particulate matter are assimilated via the digestive tract; whereas dissolved metals are absorbed via gills. Therefore, measurements of element concentrations deposited in the shell matrix do not necessarily allow inference with respect to the assimilation pathways. In this study, we used element ratios between digestive gland (DG) and gills (cDG/cGill) of the Circum-Antarctic clam Laternula elliptica to identify predominating assimilation pathways and potential sources of bio-available metals. This normalization between tissues of each individual eliminates the effects of individual age and physiological condition (e.g. accumulation over lifetime, metabolic activity) on metal assimilation. These effects also minimize the reproducibility, when absolute element concentrations are compared between individuals from different locations. Therefore, an additional normalization is required. We favored "ellipsoid shell volume" over shell length or soft tissue weight as more conservative approximation for intra- and intersite comparisons. Metal concentrations in DG, gills, and hemolymph of the bivalve L. elliptica, collected at Potter Cove (King George Island, Antarctic Peninsula), were analyzed by means of inductively coupled plasma - optical emission spectroscopy and mass spectrometry after total acid digestion. The element ratios (cDG/cGill) indicate a predominant assimilation of Al, Ca, Fe, K, Mn, and Mg from the dissolved phase. These high Al and Fe concentrations in gill tissues and hemolymph are in contrast to the low solubility of Al and Fe in seawater. But high dissolved Fe concentrations in pore waters (up to 1400 μg L-1 due to suboxic sediment conditions) and glacial melt waters enriched in dissolved Al (of approx. 54 μg L-1 due to weathering processes) with respect to seawater concentrations (5.4-13.5 μg L-1) are likely bio-available sources at Potter Cove. In contrast, Cd, Cu, and Sr are mainly assimilated via the digestion of particulates. Since most studies on metal incorporation into bivalve shells have provided mathematical correlations to environmental data, this proxy-based approach provides a more causal relationship between sources and assimilation pathways. It improves the interpretation of element variations (if independent from shell mineralogy) in bivalve shells, especially, where a full characterization of the biogeochemical environment of the bivalves is lacking.

Sound velocity of iron-light element compounds and the chemical structure of the inner core

NASA Astrophysics Data System (ADS)

Ohtani, E.; Sakamaki, T.; Fukui, H.; Tanaka, R.; Shibazaki, Y.; Kamada, S.; Sakairi, T.; Takahashi, S.; Tsutsui, S.; Baron, A. Q. R.

2016-12-01

The light elements in the core could constrain the conditions of accretion, subsequent magma ocean, and core formation stages of the Earth. There are several studies for sound velocity measurements of the iron-light elements alloys. However, the measurements are not enough to constrain the light element abundance in the core tightly at present due to inter-laboratory inconsistencies using different methods which are originated from the difficulties to make such measurements under the extreme conditions. We measured the sound velocity of iron alloy compounds at high pressure and temperature relevant to the Earth's core using double-sided laser heating of a DAC combined with inelastic X-ray scattering at SPring-8. We measured the compressional velocity of hcp-Fe up to 166 GPa and 3000 K, and derived a clear temperature dependence of the Birch's law for hcp-Fe. We measured the compressional velocity of Fe0.89Si0.11 alloy and Fe3C at high pressure and temperature, and we could not detect temperature dependency in Birch's law in these compounds. Additionally, we measured the sound velocity of Fe3S, Fe0.83Ni0.09Si0.08 alloy, and FeH at high pressure. Combining our new data set which showed remarkable differences from previous data on the sound velocity, we present a model of the chemical structure of the inner core. The outer core composition was also estimated based on partitioning behaviors of these light elements between solid and liquid iron alloys under the core conditions.

Separation of copper, iron, and zinc from complex aqueous solutions for isotopic measurement

USGS Publications Warehouse

Borrok, D.M.; Wanty, R.B.; Ridley, W.I.; Wolf, R.; Lamothe, P.J.; Adams, M.

2007-01-01

The measurement of Cu, Fe, and Zn isotopes in natural samples may provide valuable information about biogeochemical processes in the environment. However, the widespread application of stable Cu, Fe, and Zn isotope chemistry to natural water systems remains limited by our ability to efficiently separate these trace elements from the greater concentrations of matrix elements. In this study, we present a new method for the isolation of Cu, Fe, and Zn from complex aqueous solutions using a single anion-exchange column with hydrochloric acid media. Using this method we are able to quantitatively separate Cu, Fe, and Zn from each other and from matrix elements in a single column elution. Elution of the elements of interest, as well as all other elements, through the anion-exchange column is a function of the speciation of each element in the various concentrations of HCl. We highlight the column chemistry by comparing our observations with published studies that have investigated the speciation of Cu, Fe, and Zn in chloride solutions. The functionality of the column procedure was tested by measuring Cu, Fe, and Zn isotopes in a variety of stream water samples impacted by acid mine drainage. The accuracy and precision of Zn isotopic measurements was tested by doping Zn-free stream water with the Zn isotopic standard. The reproducibility of the entire column separation process and the overall precision of the isotopic measurements were also evaluated. The isotopic results demonstrate that the Cu, Fe, and Zn column separates from the tested stream waters are of sufficient purity to be analyzed directly using a multicollector inductively coupled plasma mass spectrometer (MC-ICP-MS), and that the measurements are fully-reproducible, accurate, and precise. Although limited in scope, these isotopic measurements reveal significant variations in ??65Cu (- 1.41 to + 0.30???), ??56Fe (- 0.56 to + 0.34???), and ??66Zn (0.31 to 0.49???) among samples collected from different abandoned mines within a single watershed. Hence, Cu, Fe, and Zn isotopic measurements may be a powerful tool for fingerprinting specific metal sources and/or examining biogeochemical reactions within fresh water systems.

Siderophile trace element diffusion in Fe-Ni alloys

NASA Astrophysics Data System (ADS)

Watson, Heather C.; Watson, E. Bruce

2003-09-01

Experiments were performed in a piston cylinder apparatus to characterize the diffusion behavior of the siderophile elements, Mo, Cu, Pd, Au, and Re in solid Fe-Ni alloy (90 wt.% Fe, 10 wt.% Ni). All experiments were conducted at 1 GPa and temperatures ranging from 1175 to 1400 °C. Activation energies of all elements fall between 270 kJ/mol (Cu) and 360 kJ/mol (Mo). Mo, Cu, Pd, and Au all show similar diffusivities at the same conditions, but the diffusivity of Re was consistently close to an order of magnitude lower. Initial experiments on other refractory elements (Os, Pt, and Ir) indicate that their diffusivities are close to or slightly lower than that of Re.

Quasi-static earthquake cycle simulation based on nonlinear viscoelastic finite element analyses

NASA Astrophysics Data System (ADS)

Agata, R.; Ichimura, T.; Hyodo, M.; Barbot, S.; Hori, T.

2017-12-01

To explain earthquake generation processes, simulation methods of earthquake cycles have been studied. For such simulations, the combination of the rate- and state-dependent friction law at the fault plane and the boundary integral method based on Green's function in an elastic half space is widely used (e.g. Hori 2009; Barbot et al. 2012). In this approach, stress change around the fault plane due to crustal deformation can be computed analytically, while the effects of complex physics such as mantle rheology and gravity are generally not taken into account. To consider such effects, we seek to develop an earthquake cycle simulation combining crustal deformation computation based on the finite element (FE) method with the rate- and state-dependent friction law. Since the drawback of this approach is the computational cost associated with obtaining numerical solutions, we adopt a recently developed fast and scalable FE solver (Ichimura et al. 2016), which assumes use of supercomputers, to solve the problem in a realistic time. As in the previous approach, we solve the governing equations consisting of the rate- and state-dependent friction law. In solving the equations, we compute stress changes along the fault plane due to crustal deformation using FE simulation, instead of computing them by superimposing slip response function as in the previous approach. In stress change computation, we take into account nonlinear viscoelastic deformation in the asthenosphere. In the presentation, we will show simulation results in a normative three-dimensional problem, where a circular-shaped velocity-weakening area is set in a square-shaped fault plane. The results with and without nonlinear viscosity in the asthenosphere will be compared. We also plan to apply the developed code to simulate the post-earthquake deformation of a megathrust earthquake, such as the 2011 Tohoku earthquake. Acknowledgment: The results were obtained using the K computer at the RIKEN (Proposal number hp160221).

High-precision abundances of Sc, Mn, Cu, and Ba in solar twins. Trends of element ratios with stellar age

NASA Astrophysics Data System (ADS)

Nissen, P. E.

2016-09-01

Aims: A previous study of correlations between element abundances and ages of solar twin stars in the solar neighborhood is extended to include Sc, Mn, Cu, and Ba to obtain new information on the nucleosynthetic history of these elements. Methods: HARPS spectra with S/N ≳ 600 are used to derive very precise (σ ~ 0.01 dex) differential abundances of Sc, Mn, Cu, and Ba for 21 solar twins and the Sun. The analysis is based on MARCS model atmospheres with parameters determined from the excitation and ionization balance of Fe lines. Stellar ages with internal errors less than 1 Gyr are obtained by interpolation in the log g - Teff diagram between isochrones based on the Aarhus Stellar Evolution Code. Results: For stars younger than 6 Gyr, [Sc/Fe], [Mn/Fe], [Cu/Fe], and [Ba/Fe] are tightly correlated with stellar age, which is also the case for the other elements previously studied; linear relations between [X/Fe] and age have χ^2red ˜ 1, and for most stars the residuals do not depend on elemental condensation temperature. For ages between 6 and 9 Gyr, the [X/Fe] - age correlations break down and the stars split up into two groups having respectively high and low [X/Fe] for the odd-Z elements Na, Al, Sc, and Cu. Conclusions: While stars in the solar neighborhood younger than ~ 6 Gyr were formed from interstellar gas with a smooth chemical evolution, older stars seem to have originated from regions enriched by supernovae with different neutron excesses. Correlations between abundance ratios and stellar age suggest that: (I) Sc is made in Type II supernovae along with the α-capture elements; (II) the Type II to Ia yield ratio is about the same for Mn and Fe; (III) Cu is mainly made by the weak s-process in massive stars; (iv) the Ba/Y yield ratio for asymptotic giant branch stars increases with decreasing stellar mass; (v) [Y/Mg] and [Y/Al] can be used as chemical clocks when determining ages of solar metallicity stars. Based on data products from observations made with ESO Telescopes at the La Silla Paranal Observatory under programs 072.C-0488, 088.C-0323, 183.C-0972, 188.C-0265.

Coupling Finite Element and Meshless Local Petrov-Galerkin Methods for Two-Dimensional Potential Problems

NASA Technical Reports Server (NTRS)

Chen, T.; Raju, I. S.

2002-01-01

A coupled finite element (FE) method and meshless local Petrov-Galerkin (MLPG) method for analyzing two-dimensional potential problems is presented in this paper. The analysis domain is subdivided into two regions, a finite element (FE) region and a meshless (MM) region. A single weighted residual form is written for the entire domain. Independent trial and test functions are assumed in the FE and MM regions. A transition region is created between the two regions. The transition region blends the trial and test functions of the FE and MM regions. The trial function blending is achieved using a technique similar to the 'Coons patch' method that is widely used in computer-aided geometric design. The test function blending is achieved by using either FE or MM test functions on the nodes in the transition element. The technique was evaluated by applying the coupled method to two potential problems governed by the Poisson equation. The coupled method passed all the patch test problems and gave accurate solutions for the problems studied.

High Temperature Oxidation of Hot-Dip Aluminized T92 Steels

NASA Astrophysics Data System (ADS)

Abro, Muhammad Ali; Hahn, Junhee; Lee, Dong Bok

2018-03-01

The T92 steel plate was hot-dip aluminized, and oxidized in order to characterize the high-temperature oxidation behavior of hot-dip aluminized T92 steel. The coating consisted of Al-rich topcoat with scattered Al3Fe grains, Al3Fe-rich upper alloy layer with scattered (Al, Al5Fe2, AlFe)-grains, and Al5Fe2-rich lower alloy layer with scattered (Al5Fe2, AlFe)-grains. Oxidation at 800 °C for 20 h formed (α-Al2O3 scale)/(AlFe layer)/(AlFe3 layer)/(α-Fe(Al) layer), while oxidation at 900 °C for 20 h formed (α-Al2O3 scale plus some Fe2O3)/(AlFe layer)/(AlFe3 layer)/(α-Fe(Al) layer) from the surface. During oxidation, outward migration of all substrate elements, inward diffusion of oxygen, and back and forth diffusion of Al occurred according to concentration gradients. Also, diffusion transformed and broadened AlFe and AlFe3 layers dissolved with some oxygen and substrate alloying elements. Hot-dip aluminizing improved the high-temperature oxidation resistance of T92 steel through preferential oxidation of Al at the surface.

High Temperature Oxidation of Hot-Dip Aluminized T92 Steels

NASA Astrophysics Data System (ADS)

Abro, Muhammad Ali; Hahn, Junhee; Lee, Dong Bok

2018-05-01

The T92 steel plate was hot-dip aluminized, and oxidized in order to characterize the high-temperature oxidation behavior of hot-dip aluminized T92 steel. The coating consisted of Al-rich topcoat with scattered Al3Fe grains, Al3Fe-rich upper alloy layer with scattered (Al, Al5Fe2, AlFe)-grains, and Al5Fe2-rich lower alloy layer with scattered (Al5Fe2, AlFe)-grains. Oxidation at 800 °C for 20 h formed (α-Al2O3 scale)/(AlFe layer)/(AlFe3 layer)/(α-Fe(Al) layer), while oxidation at 900 °C for 20 h formed (α-Al2O3 scale plus some Fe2O3)/(AlFe layer)/(AlFe3 layer)/(α-Fe(Al) layer) from the surface. During oxidation, outward migration of all substrate elements, inward diffusion of oxygen, and back and forth diffusion of Al occurred according to concentration gradients. Also, diffusion transformed and broadened AlFe and AlFe3 layers dissolved with some oxygen and substrate alloying elements. Hot-dip aluminizing improved the high-temperature oxidation resistance of T92 steel through preferential oxidation of Al at the surface.

Enhanced Fe2O3 Reducibility via Surface Modification with Pd: Characterizing the Synergy within Pd/Fe Catalysts for Hydrodeoxygenation Reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hensley, Alyssa; Hong, Yongchun; Zhang, Renqin

2014-10-03

The synergistic catalysis in the hydrodeoxygenation of phenolic compounds over a Pd/Fe bimetallic surface has been well established. However, the nature of this synergy is still in part a mystery. In this work, we used a combined experimental and theoretical approach to understand a potential function of the surface Pd in the reduction of Pd/Fe2O3. This function of Pd was investigated via the comparison of the reduction properties as well as other physicochemical properties of samples synthesized by the reduction of Fe2O3 nanoparticles with and without surface Pd. Temperature-programmed reduction studies demonstrated the remarkable facilitation of reduction by addition ofmore » Pd, evidenced by a 150 degrees C shift toward lower temperature of the reduction peak of Fe3+. From X-ray photoelectron spectroscopy and theoretical calculation results, the interaction between Pd and the Fe2O3 surface occurs through the exchange of electrons with both the surface Fe and O atoms. This bonding between the Pd and surface oxide elements causes the Pd to partially donate electrons to the oxide surface, making the surface electrons more delocalized. This electron delocalization stabilizes the reduced oxide surfaces, as suggested by the TPR results and theoretical prediction. Therefore, the stabilization of the reduced Fe surface as well as the facilitated water formation by introduction of Pd is expected to significantly contribute to the Pd-Fe synergy in hydrodeoxygenation catalysis.« less

Hyperfine fields of Fe in Nd2Fe14BandSm2Fe17N3

NASA Astrophysics Data System (ADS)

Akai, Hisazumi; Ogura, Masako

2015-03-01

High saturation magnetization of rare-earth magnets originates from Fe and the strong magnetic anisotropy stems from f-states of rare-earth elements such as Nd and Sm. Therefore the hyperfine fields of both Fe and rare-earth provide us with important pieces of information: Fe NMR enable us to detect site dependence of the local magnetic moment and magnetic anisotropy (Fe sites also contribute to the magnetic anisotropy) while rare-earth NQR directly give the information of electric field gradients (EFG) that are related to the shape of the f-electron cloud as well as the EFG produced by ligands. In this study we focus on the hyperfine fields of materials used as permanent magnets, Nd2Fe14BandSm2Fe17N3 from theoretical points of view. The detailed electronic structure together with the hyperfine interactions are discussed on the basis of the first-principles calculation. In particular, the relations between the observed hyperfine fields and the magnetic properties are studies in detail. The effects of doping of those materials by other elements such as Dy and the effects of N adding in Sm2Fe17N3 will be discussed. This work was supported by Elements Strategy Initiative Center for Magnetic Materials Project, the Ministry of Education, Culture, Sports, Science and Technology, Japan.

Melting Experiments in the Fe-FeSi System at High Pressure

NASA Astrophysics Data System (ADS)

Ozawa, H.; Hirose, K.

2013-12-01

The principal light element in the Earth's core must reproduce the density jump at the inner core boundary (ICB). Silicon is thought to be a plausible light element in the core, and the melting phase relations in Fe-FeSi binary system at the ICB pressure are of great importance. Theoretical calculations on the Fe-FeSi binary system suggested that the difference in Si content between the outer core and the inner core would be too small to satisfy the observed density jump at the ICB [Alfè et al., 2002 EPSL], which requires other light elements in addition to silicon. Here we experimentally examined partitioning of silicon between liquid and solid iron up to 97 GPa. High pressure and temperature conditions were generated in a laser-heated diamond-anvil cell. Chemical compositions of co-existing quenched liquid and solid Fe-Si alloys were determined with a field-emission-type electron probe micro-analyzer. We used Fe-Si alloy containing 9 wt% Si as a starting material. Chemical analyses on the recovered samples from 39 and 49 GPa demonstrated the coexistence of quenched Si-depleted liquid and Si-enriched solid. In contrast, silicon partitions preferentially into liquid metal at 97 GPa, suggesting the starting composition (Fe-9wt% Si) lies on the iron-rich part of the eutectic. These results indicate the eutectic composition shifts toward FeSi between 49 and 97 GPa.

Effects of alloying elements (Mn, Co, Al, W, Sn, B, C and S) on biodegradability and in vitro biocompatibility of pure iron.

PubMed

Liu, B; Zheng, Y F

2011-03-01

Pure iron was determined to be a valid candidate material for biodegradable metallic stents in recent animal tests; however, a much faster degradation rate in physiological environments was desired. C, Mn, Si, P, S, B, Cr, Ni, Pb, Mo, Al, Ti, Cu, Co, V and W are common alloying elements in industrial steels, with Cr, Ni, Mo, Cu, Ti, V and Si being acknowledged as beneficial in enhancing the corrosion resistance of iron. The purpose of the present work (using Fe-X binary alloy models) is to explore the effect of the remaining alloying elements (Mn, Co, Al, W, B, C and S) and one detrimental impurity element Sn on the biodegradability and biocompatibility of pure iron by scanning electron microscopy, X-ray diffraction, metallographic observation, tensile testing, microhardness testing, electrochemical testing, static (for 6 months) and dynamic (for 1 month with various dissolved oxygen concentrations) immersion testing, cytotoxicity testing, hemolysis and platelet adhesion testing. The results showed that the addition of all alloying elements except for Sn improved the mechanical properties of iron after rolling. Localized corrosion of Fe-X binary alloys was observed in both static and dynamic immersion tests. Except for the Fe-Mn alloy, which showed a significant decrease in corrosion rate, the other Fe-X binary alloy corrosion rates were close to that of pure iron. It was found that compared with pure iron all Fe-X binary alloys decreased the viability of the L929 cell line, none of experimental alloying elements significantly reduced the viability of vascular smooth muscle cells and all the elements except for Mn increased the viability of the ECV304 cell line. The hemolysis percentage of all Fe-X binary alloy models were less than 5%, and no sign of thrombogenicity was observed. In vitro corrosion and the biological behavior of these Fe-X binary alloys are discussed and a corresponding mechanism of corrosion of Fe-X binary alloys in Hank's solution proposed. As a concluding remark, Co, W, C and S are recommended as alloying elements for biodegradable iron-based biomaterials. Copyright © 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Finite element analysis of stress transfer mechanism from matrix to the fiber in SWCN reinforced nanocomposites

NASA Astrophysics Data System (ADS)

Günay, E.

2017-02-01

This study defined as micromechanical finite element (FE) approach examining the stress transfer mechanism in single-walled carbon nanotube (SWCN) reinforced composites. In the modeling, 3D unit-cell method was evaluated. Carbon nanotube reinforced composites were modeled as three layers which comprises CNT, interface and matrix material. Firstly; matrix, fiber and interfacial materials all together considered as three layered cylindrical nanocomposite. Secondly, the cylindrical matrix material was assumed to be isotropic and also considered as a continuous medium. Then, fiber material was represented with zigzag type SWCNs. Finally, SWCN was combined with the elastic medium by using springs with different constants. In the FE modeling of SWCN reinforced composite model springs were modeled by using ANSYS spring damper element COMBIN14. The developed interfacial van der Waals interaction effects between the continuous matrix layer and the carbon nanotube fiber layer were simulated by applying these various spring stiffness values. In this study, the layered composite cylindrical FE model was presented as the equivalent mechanical properties of SWCN structures in terms of Young's modulus. The obtained results and literature values were presented and discussed. Figures, 16, 17, and 18 of the original article PDF file, as supplied to AIP Publishing, were affected by a PDF-processing error. Consequently, a solid diamond symbol appeared instead of a Greek tau on the y axis labels for these three figures. This article was updated on 17 March 2017 to correct the PDF-processing error, with the scientific content remaining unchanged.

Model's sparse representation based on reduced mixed GMsFE basis methods

NASA Astrophysics Data System (ADS)

Jiang, Lijian; Li, Qiuqi

2017-06-01

In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. A typical application for the elliptic PDEs is the flow in heterogeneous random porous media. Mixed generalized multiscale finite element method (GMsFEM) is one of the accurate and efficient approaches to solve the flow problem in a coarse grid and obtain the velocity with local mass conservation. When the inputs of the PDEs are parameterized by the random variables, the GMsFE basis functions usually depend on the random parameters. This leads to a large number degree of freedoms for the mixed GMsFEM and substantially impacts on the computation efficiency. In order to overcome the difficulty, we develop reduced mixed GMsFE basis methods such that the multiscale basis functions are independent of the random parameters and span a low-dimensional space. To this end, a greedy algorithm is used to find a set of optimal samples from a training set scattered in the parameter space. Reduced mixed GMsFE basis functions are constructed based on the optimal samples using two optimal sampling strategies: basis-oriented cross-validation and proper orthogonal decomposition. Although the dimension of the space spanned by the reduced mixed GMsFE basis functions is much smaller than the dimension of the original full order model, the online computation still depends on the number of coarse degree of freedoms. To significantly improve the online computation, we integrate the reduced mixed GMsFE basis methods with sparse tensor approximation and obtain a sparse representation for the model's outputs. The sparse representation is very efficient for evaluating the model's outputs for many instances of parameters. To illustrate the efficacy of the proposed methods, we present a few numerical examples for elliptic PDEs with multiscale and random inputs. In particular, a two-phase flow model in random porous media is simulated by the proposed sparse representation method.

Model's sparse representation based on reduced mixed GMsFE basis methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Lijian, E-mail: ljjiang@hnu.edu.cn; Li, Qiuqi, E-mail: qiuqili@hnu.edu.cn

2017-06-01

In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. A typical application for the elliptic PDEs is the flow in heterogeneous random porous media. Mixed generalized multiscale finite element method (GMsFEM) is one of the accurate and efficient approaches to solve the flow problem in a coarse grid and obtain the velocity with local mass conservation. When the inputs of the PDEs are parameterized by the random variables, the GMsFE basis functions usually depend on the random parameters. This leads to a largemore » number degree of freedoms for the mixed GMsFEM and substantially impacts on the computation efficiency. In order to overcome the difficulty, we develop reduced mixed GMsFE basis methods such that the multiscale basis functions are independent of the random parameters and span a low-dimensional space. To this end, a greedy algorithm is used to find a set of optimal samples from a training set scattered in the parameter space. Reduced mixed GMsFE basis functions are constructed based on the optimal samples using two optimal sampling strategies: basis-oriented cross-validation and proper orthogonal decomposition. Although the dimension of the space spanned by the reduced mixed GMsFE basis functions is much smaller than the dimension of the original full order model, the online computation still depends on the number of coarse degree of freedoms. To significantly improve the online computation, we integrate the reduced mixed GMsFE basis methods with sparse tensor approximation and obtain a sparse representation for the model's outputs. The sparse representation is very efficient for evaluating the model's outputs for many instances of parameters. To illustrate the efficacy of the proposed methods, we present a few numerical examples for elliptic PDEs with multiscale and random inputs. In particular, a two-phase flow model in random porous media is simulated by the proposed sparse representation method.« less

Synthesis of Xenon and Iron-Nickel Intermetallic Compounds at Earth's Core Thermodynamic Conditions

NASA Astrophysics Data System (ADS)

Stavrou, Elissaios; Yao, Yansun; Goncharov, Alexander F.; Lobanov, Sergey S.; Zaug, Joseph M.; Liu, Hanyu; Greenberg, Eran; Prakapenka, Vitali B.

2018-03-01

Using in situ synchrotron x-ray diffraction and Raman spectroscopy in concert with first principles calculations we demonstrate the synthesis of stable Xe (Fe ,Fe /Ni )3 and XeNi3 compounds at thermodynamic conditions representative of Earth's core. Surprisingly, in the case of both the Xe-Fe and Xe-Ni systems Fe and Ni become highly electronegative and can act as oxidants. The results indicate the changing chemical properties of elements under extreme conditions by documenting that electropositive at ambient pressure elements could gain electrons and form anions.

In-situ Density and Thermal Expansion Measurements of Fe and Fe-S Alloying Liquids Under Planetary Core Conditions

NASA Astrophysics Data System (ADS)

Jing, Z.; Chantel, J.; Yu, T.; Sakamaki, T.; Wang, Y.

2015-12-01

Liquid iron is likely the dominant constituent in the cores of terrestrial planets and icy satellites such as Earth, Mars, Mercury, the Moon, Ganymede, and Io. Suggested by geophysical and geochemical observations, light elements such as S, C, Si, etc., are likely present in planetary cores. These light elements can significantly reduce the density and melting temperature of the Fe cores, and hence their abundances are crucial to our understanding of the structure and thermal history of planetary cores, as well as the generation of intrinsic magnetic fields. Knowledge on the density of Fe-light element alloying liquids at high pressures is critical to place constraints on the composition of planetary cores. However, density data on liquid Fe-light element alloys at core pressures are very limited in pressure and composition and are sometimes controversial. In this study, we extend the density dataset for Fe-rich liquids by measuring the density of Fe, Fe-10wt%S, Fe-20wt%S, Fe-27wt%S, and FeS liquids using the X-ray absorption technique in a DIA-type multianvil apparatus up to 7 GPa and 2173 K. An ion chamber (1D-detector) and a CCD camera (2D-detector) were used to measure intensities of transmitted monochromatic X-rays through molten samples, with the photon energy optimized at 40 keV. The densities were then determined from the Beer-Lambert law using the mass absorption coefficients, calibrated by solid standards using X-ray diffraction. At each pressure, density measurements were conducted at a range of temperatures above the liquidus of the samples, enabling the determination of thermal expansion. Combined with our previous results on the sound velocity of Fe and Fe-S liquids at high pressures (Jing et al., 2014, Earth Planet. Sci. Lett. 396, 78-87), these data provide tight constraints on the equation of state and thermodynamic properties such as the adiabatic temperature gradient for Fe-S liquids. We will discuss these results with implications to planetary cores.

Diffusion, phase equilibria and partitioning experiments in the Ni-Fe-Ru system

NASA Technical Reports Server (NTRS)

Blum, Joel D.; Wasserburg, G. J.; Hutcheon, I. D.; Beckett, J. R.; Stolper, E. M.

1989-01-01

Results are presented on thin-film diffusion experiments designed to investigate phase equilibria in systems containing high concentrations of Pt-group elements, such as Ni-Fe-Ru-rich systems containing Pt, at temperatures of 1273, 1073, and 873 K. The rate of Ru diffusion in Ni was determined as a function of temperature, and, in addition, the degree of Pt and Ir partitioning between phases in a Ni-Fe-Ru-rich system and of V between phases in a Ni-Fe-O-rich system at 873 were determined. It was found that Pt preferentially partitions into the (gamma)Ni-Fe phase, whereas Ir prefers the (epsilon)Ru-Fe phase. V partitions strongly into Fe oxides relative to (gamma)Ni-Fe. These results have direct application to the origin and thermal history of the alloys rich in Pt-group elements in meteorites.

An Experimental Analog for Metal-Sulfide Partitioning in Acapulcoite-Lodranite Meteorites

NASA Astrophysics Data System (ADS)

Dhaliwal, J. K.; Chabot, N. L.; Ash, R. D.; McCoy, T. J.

2018-05-01

This study builds on prior analyses of highly siderophile element (HSE) abundances in primitive achondrites. We performed melting experiments of naturally occurring FeNi and FeS to examine the effect of sulfur on HSE inter-element partitioning.

Patient-specific bone modeling and analysis: the role of integration and automation in clinical adoption.

PubMed

Zadpoor, Amir A; Weinans, Harrie

2015-03-18

Patient-specific analysis of bones is considered an important tool for diagnosis and treatment of skeletal diseases and for clinical research aimed at understanding the etiology of skeletal diseases and the effects of different types of treatment on their progress. In this article, we discuss how integration of several important components enables accurate and cost-effective patient-specific bone analysis, focusing primarily on patient-specific finite element (FE) modeling of bones. First, the different components are briefly reviewed. Then, two important aspects of patient-specific FE modeling, namely integration of modeling components and automation of modeling approaches, are discussed. We conclude with a section on validation of patient-specific modeling results, possible applications of patient-specific modeling procedures, current limitations of the modeling approaches, and possible areas for future research. Copyright © 2014 Elsevier Ltd. All rights reserved.

Numerical and experimental analysis of an in-scale masonry cross-vault prototype up to failure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rossi, Michela; Calderini, Chiara; Lagomarsino, Sergio

2015-12-31

A heterogeneous full 3D non-linear FE approach is validated against experimental results obtained on an in-scale masonry cross vault assembled with dry joints, and subjected to various loading conditions consisting on imposed displacement combinations to the abutments. The FE model relies into a discretization of the blocks by means of few rigid-infinitely resistant parallelepiped elements interacting by means of planar four-noded interfaces, where all the deformation (elastic and inelastic) occurs. The investigated response mechanisms of vault are the shear in-plane distortion and the longitudinal opening and closing mechanism at the abutments. After the validation of the approach on the experimentallymore » tested cross-vault, a sensitivity analysis is conducted on the same geometry, but in real scale, varying mortar joints mechanical properties, in order to furnish useful hints for safety assessment, especially in presence of seismic action.« less

Stability analysis and backward whirl investigation of cracked rotors with time-varying stiffness

NASA Astrophysics Data System (ADS)

AL-Shudeifat, Mohammad A.

2015-07-01

The dynamic stability of dynamical systems with time-periodic stiffness is addressed here. Cracked rotor systems with time-periodic stiffness are well-known examples of such systems. Time-varying area moments of inertia at the cracked element cross-section of a cracked rotor have been used to formulate the time-periodic finite element stiffness matrix. The semi-infinite coefficient matrix obtained by applying the harmonic balance (HB) solution to the finite element (FE) equations of motion is employed here to study the dynamic stability of the system. Consequently, the sign of the determinant of a scaled version of a sub-matrix of this semi-infinite coefficient matrix at a finite number of harmonics in the HB solution is found to be sufficient for identifying the major unstable zones of the system in the parameter plane. Specifically, it is found that the negative determinant always corresponds to unstable zones in all of the systems considered. This approach is applied to a parametrically excited Mathieu's equation, a two degree-of-freedom linear time-periodic dynamical system, a cracked Jeffcott rotor and a finite element model of the cracked rotor system. Compared to the corresponding results obtained by Floquet's theory, the sign of the determinant of the scaled sub-matrix is found to be an efficient tool for identifying the major unstable zones of the linear time-periodic parametrically excited systems, especially large-scale FE systems. Moreover, it is found that the unstable zones for a FE cracked rotor with an open transverse crack model only appear at the backward whirl. The theoretical and experimental results have been found to agree well for verifying that the open crack model excites the backward whirl amplitudes at the critical backward whirling rotational speeds.

Petrography and trace element signatures in silicates and Fe-Ti-oxides from the Lanjiahuoshan deposit, Panzhihua layered intrusion, Southwest China

NASA Astrophysics Data System (ADS)

Gao, Wenyuan; Ciobanu, Cristiana L.; Cook, Nigel J.; Huang, Fei; Meng, Lin; Gao, Shang

2017-12-01

Permian mafic-ultramafic layered intrusions in the central part of the Emeishan Large Igneous Province (ELIP), Southwestern China, host Fe-Ti-V-oxide ores that have features which distinguish them from other large layered intrusion-hosted deposits. The origin of these ores is highly debated. Careful petrographic examination, whole rock analysis, electron probe microanalysis, and measurement and mapping of trace element concentrations by laser ablation inductively coupled plasma mass spectrometry in all major and minor minerals (clinopyroxene, plagioclase, olivine, amphibole, titanomagnetite, ilmenite, pleonaste and pyrrhotite) has been undertaken on samples from the Lanjiahuoshan deposit, representing the Middle, Lower and Marginal Zone of the Panzhihua intrusion. Features are documented that impact on interpretation of intrusion petrology and with implications for genesis of the Fe-Ti-V-oxide ores. Firstly, there is evidence, as symplectites between clinopyroxene and plagioclase, for introduction of complex secondary melts. Secondly, reaction between a late hydrothermal fluid and clinopyroxene is recognized, which has led to formation of hydrated minerals (pargasite, phlogopite), as well as a potassium metasomatic event, postdating intrusion solidification, which led to formation of K-feldspar. Lastly, partitioning of trace elements between titanomagnetite and silicates needs to consider scavenging of metals by ilmenite (Mn, Sc, Zr, Nb, Sn, Hf and Ta) and sulfides, as well as the marked partitioning of Co, Ni, Zn, Ga, As and Sb into spinels exsolved from titanomagnetite. The role of these less abundant phases may have been understated in previous studies, highlighting the importance of petrographic examination of complex silicate-oxide-sulfide assemblages, as well as the need for a holistic approach to trace element analysis, acknowledging all minerals within the assemblage.

Content and Bioaccumulation of Nine Mineral Elements in Ten Mushroom Species of the Genus Boletus

PubMed Central

Wang, Xue-Mei; Zhang, Ji; Li, Tao; Wang, Yuan-Zhong; Liu, Hong-Gao

2015-01-01

Concentrations and bioconcentration potential of nine elements (Ca, Cu, Fe, K, Mg, Mn, Na, P, and Zn) in ten species of wild edible Boletus and the corresponding underlying soils were analyzed. The analyses were performed using inductively coupled plasma atomic emission spectrophotometer. Boletus showed relative abundant contents of P, K, Fe, Mg, Ca, and Na and less of Zn, Cu, and Mn. Caps compared to stalks were enriched in P, K, Cu, Mg, and Zn, while stalks were enriched in Mn. The elements such as P and K were accumulated (BCF > 1), while Ca, Fe, Mg, Mn, and Na were excluded (BCF < 1) in the fruiting bodies. The correlation analysis indicated high correlations between Cu, Mn, Ca, and Fe in the mushrooms as compared to the corresponding soils. Significant correlations were also obtained between Cu-P (r = 0.775), Fe-P (r = 0.728), and Zn-P (r = 0.76) for caps and Cu-Mg (r = 0.721), Fe-Mg (r = 0.719), Zn-Mg (r = 0.824), and Zn-P (r = 0.818) for stalks. The results of this study imply that ability of fungi to accumulate elements from substrate could be influenced by mushroom species and underlying soil substrates. PMID:26146585

Content and Bioaccumulation of Nine Mineral Elements in Ten Mushroom Species of the Genus Boletus.

PubMed

Wang, Xue-Mei; Zhang, Ji; Li, Tao; Wang, Yuan-Zhong; Liu, Hong-Gao

2015-01-01

Concentrations and bioconcentration potential of nine elements (Ca, Cu, Fe, K, Mg, Mn, Na, P, and Zn) in ten species of wild edible Boletus and the corresponding underlying soils were analyzed. The analyses were performed using inductively coupled plasma atomic emission spectrophotometer. Boletus showed relative abundant contents of P, K, Fe, Mg, Ca, and Na and less of Zn, Cu, and Mn. Caps compared to stalks were enriched in P, K, Cu, Mg, and Zn, while stalks were enriched in Mn. The elements such as P and K were accumulated (BCF > 1), while Ca, Fe, Mg, Mn, and Na were excluded (BCF < 1) in the fruiting bodies. The correlation analysis indicated high correlations between Cu, Mn, Ca, and Fe in the mushrooms as compared to the corresponding soils. Significant correlations were also obtained between Cu-P (r = 0.775), Fe-P (r = 0.728), and Zn-P (r = 0.76) for caps and Cu-Mg (r = 0.721), Fe-Mg (r = 0.719), Zn-Mg (r = 0.824), and Zn-P (r = 0.818) for stalks. The results of this study imply that ability of fungi to accumulate elements from substrate could be influenced by mushroom species and underlying soil substrates.

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

A mixed parallel strategy for the solution of coupled multi-scale problems at finite strains

NASA Astrophysics Data System (ADS)

Lopes, I. A. Rodrigues; Pires, F. M. Andrade; Reis, F. J. P.

2018-02-01

A mixed parallel strategy for the solution of homogenization-based multi-scale constitutive problems undergoing finite strains is proposed. The approach aims to reduce the computational time and memory requirements of non-linear coupled simulations that use finite element discretization at both scales (FE^2). In the first level of the algorithm, a non-conforming domain decomposition technique, based on the FETI method combined with a mortar discretization at the interface of macroscopic subdomains, is employed. A master-slave scheme, which distributes tasks by macroscopic element and adopts dynamic scheduling, is then used for each macroscopic subdomain composing the second level of the algorithm. This strategy allows the parallelization of FE^2 simulations in computers with either shared memory or distributed memory architectures. The proposed strategy preserves the quadratic rates of asymptotic convergence that characterize the Newton-Raphson scheme. Several examples are presented to demonstrate the robustness and efficiency of the proposed parallel strategy.

Preserving elemental content in adherent mammalian cells for analysis by synchrotron-based x-ray fluorescence microscopy

DOE PAGES

Jin, Qiaoling; Paunesku, Tatjana; Lai, Barry; ...

2016-08-31

Trace metals play important roles in biological function, and x-ray fluorescence microscopy (XFM) provides a way to quantitatively image their distribution within cells. The faithfulness of these measurements is dependent on proper sample preparation. Using mouse embryonic fibroblast NIH/3T3 cells as an example, we compare various approaches to the preparation of adherent mammalian cells for XFM imaging under ambient temperature. Direct side-by-side comparison shows that plunge-freezing-based cryoimmobilization provides more faithful preservation than conventional chemical fixation for most biologically important elements including P, S, Cl, K, Fe, Cu, Zn and possibly Ca in adherent mammalian cells. Although cells rinsed with freshmore » media had a great deal of extracellular background signal for Cl and Ca, this approach maintained cells at the best possible physiological status before rapid freezing and it does not interfere with XFM analysis of other elements. If chemical fixation has to be chosen, the combination of 3% paraformaldehyde and 1.5 % glutaraldehyde preserves S, Fe, Cu and Zn better than either fixative alone. Lastly, when chemically fixed cells were subjected to a variety of dehydration processes, air drying was proved to be more suitable than other drying methods such as graded ethanol dehydration and freeze drying. This first detailed comparison for x-ray fluorescence microscopy shows how detailed quantitative conclusions can be affected by the choice of cell preparation method.« less

Preserving elemental content in adherent mammalian cells for analysis by synchrotron-based x-ray fluorescence microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin, Qiaoling; Paunesku, Tatjana; Lai, Barry

Trace metals play important roles in biological function, and x-ray fluorescence microscopy (XFM) provides a way to quantitatively image their distribution within cells. The faithfulness of these measurements is dependent on proper sample preparation. Using mouse embryonic fibroblast NIH/3T3 cells as an example, we compare various approaches to the preparation of adherent mammalian cells for XFM imaging under ambient temperature. Direct side-by-side comparison shows that plunge-freezing-based cryoimmobilization provides more faithful preservation than conventional chemical fixation for most biologically important elements including P, S, Cl, K, Fe, Cu, Zn and possibly Ca in adherent mammalian cells. Although cells rinsed with freshmore » media had a great deal of extracellular background signal for Cl and Ca, this approach maintained cells at the best possible physiological status before rapid freezing and it does not interfere with XFM analysis of other elements. If chemical fixation has to be chosen, the combination of 3% paraformaldehyde and 1.5 % glutaraldehyde preserves S, Fe, Cu and Zn better than either fixative alone. Lastly, when chemically fixed cells were subjected to a variety of dehydration processes, air drying was proved to be more suitable than other drying methods such as graded ethanol dehydration and freeze drying. This first detailed comparison for x-ray fluorescence microscopy shows how detailed quantitative conclusions can be affected by the choice of cell preparation method.« less

[Effect of atmospheric CO2 concentration and nitrogen application level on absorption and transportation of nutrient elements in oilseed rape].

PubMed

Wang, Wen-ming; Zhang, Zhen-hua; Song, Hai-xing; Liu, Qiang; Rong, Xiang-min; Guan, Chun-yun; Zeng, Jing; Yuan, Dan

2015-07-01

Effect of elevated atmospheric-CO2 (780 µmol . mol-1) on the absorption and transportation of secondary nutrient elements (calcium, magnesium, sulphur) and micronutrient elements (iron, manganese, zinc, molybdenum and boron) in oilseed rape at the stem elongation stage were studied by greenhouse simulated method. Compared with the ambient CO2 condition, the content of Zn in stem was increased and the contents of other nutrient elements were decreased under the elevated atmospheric-CO2 with no nitrogen (N) application; the contents of Ca, S, B and Zn were increased, and the contents of Mg, Mn, Mo and Fe were decreased under the elevated atmospheric CO2 with N application (0.2 g N . kg-1 soil); except the content of Mo in leaf was increased, the contents of other nutrient elements were decreased under the elevated atmospheric-CO2 with two levels of N application. Compared with the ambient CO2 condition, the amounts of Ca and S relative to the total amount of secondary nutrient elements in stem and the amounts of B and Zn relative to the total amount of micronutrient elements in stem were increased under the elevated-CO2 treatment with both levels of N application, and the corresponding values of Mg, Fe, Mn and Mo were decreased; no-N application treatment increased the proportion of Ca distributed into the leaves, and the proportion of Mg distributed into leaves was increased by the normal-N application level; the proportions of Mn, Zn and Mo distributed into the leaves were increased at both N application levels. Without N application, the elevation of atmospheric CO2 increased the transport coefficients of SFe, Mo and SS,B, but decreased the transport coefficients of SMg,Fe, SMg, Mn and SS,Fe, indicating the proportions of Mo, S transported into the upper part of plant tissues was higher than that of Fe, and the corresponding value of B was higher than that observed for S, the corresponding value of Mg was higher than that of Fe and Mn. Under normal-N application, the elevation of atmospheric CO2 increased the transport coefficients of SMg,Fe, SMg,Mn and SS,B, but decreased the transport coefficients of SCa, Mg, SFe,Mo and SS,Fe indicating the proportions of Fe, Mn and Ca transported into the upper part of plant tissues was higher than that of Mg; the corresponding value of B was higher than that observed for S, the corresponding value of Fe was higher than that of Mo, and the corresponding value of S was higher than that of Fe.

Analytical solutions for determining residual stresses in two-dimensional domains using the contour method

PubMed Central

Kartal, Mehmet E.

2013-01-01

The contour method is one of the most prevalent destructive techniques for residual stress measurement. Up to now, the method has involved the use of the finite-element (FE) method to determine the residual stresses from the experimental measurements. This paper presents analytical solutions, obtained for a semi-infinite strip and a finite rectangle, which can be used to calculate the residual stresses directly from the measured data; thereby, eliminating the need for an FE approach. The technique is then used to determine the residual stresses in a variable-polarity plasma-arc welded plate and the results show good agreement with independent neutron diffraction measurements. PMID:24204187

Accumulation of Metals in Juvenile Carp (Cyprinus carpio) Exposed to Sublethal Levels of Iron and Manganese: Survival, Body Weight and Tissue.

PubMed

Harangi, Sándor; Baranyai, Edina; Fehér, Milán; Tóth, Csilla Noémi; Herman, Petra; Stündl, László; Fábián, István; Tóthmérész, Béla; Simon, Edina

2017-05-01

Many oxbows are contaminated by Fe and Mn as a consequence of the elemental concentration of sediment and water originating from the Upper Tisza Region of Hungary. The phenomenon is partly caused by anthropogenic activities and mainly due to the geochemical characteristics of the region. The effects of Fe and Mn on the aquatic ecosystem of these wetlands were investigated in a model experiments in this study. Survival, individual body weight and the elemental concentrations of organs were determined in common carp (Cyprinus carpio) juveniles reared in Fe and Mn contaminated media (treatment 1: Fe 0.57 mg L -1 , Mn 0.29 mg L -1 , treatment 2: Fe 0.57 mg L -1 , Mn 0.625 mg L -1 , treatment 3: Fe 1.50 mg L -1 , Mn 0.29 mg L -1 , treatment 4: Fe 1.50 mg L -1 , Mn 0.625 mg L -1 and control: Fe 0.005 mg L -1 , Mn 0.003 mg L -1 ), for rearing time of 49 days. The treatment with Fe and Mn did not have any effect on the survival data and individual body weight in the levels tested. The highest concentration of Fe and Mn was found in the liver and brain of carp juveniles, while the lowest concentration of these elements occurred in the muscular tissue and gills. The treatment where Fe and Mn were applied in the highest concentrations resulted in a statistically higher level of these elements in the brain, grills and muscle tissues. The treatment where only Mn was present in the highest concentration caused increased level of Mn only in the liver. We found metal accumulation in almost every organ; however, the applied concentrations and exposure time did not affect the survival and average body weight of carp juveniles.

Plastic deformation of FeSi at high pressures: implications for planetary cores

NASA Astrophysics Data System (ADS)

Kupenko, Ilya; Merkel, Sébastien; Achorner, Melissa; Plückthun, Christian; Liermann, Hanns-Peter; Sanchez-Valle, Carmen

2017-04-01

The cores of terrestrial planets is mostly comprised of a Fe-Ni alloy, but it should additionally contain some light element(s) in order to explain the observed core density. Silicon has long been considered as a likely candidate because of geochemical and cosmochemical arguments: the Mg/Si and Fe/Si ratios of the Earth does not match those of the chondrites. Since silicon preferentially partition into iron-nickel metal, having 'missing' silicon in the core would solve this problem. Moreover, the evidence of present (e.g. Mercury) or ancient (e.g. Mars) magnetic fields on the terrestrial planets is a good indicator of (at least partially) liquid cores. The estimated temperature profiles of these planets, however, lay below iron melting curve. The addition of light elements in their metal cores could allow reducing their core-alloy melting temperature and, hence, the generation of a magnetic field. Although the effect of light elements on the stability and elasticity of Fe-Ni alloys has been widely investigated, their effect on the plasticity of core materials remains largely unknown. Yet, this information is crucial for understanding how planetary cores deform. Here we investigate the plastic deformation of ɛ-FeSi up to 50 GPa at room temperature employing a technique of radial x-ray diffraction in diamond anvil cells. Stoichiometric FeSi endmember is a good first-order approximation of the Fe-FeSi system and a good starting material to develop new experimental perspectives. In this work, we focused on the low-pressure polymorph of FeSi that would be the stable phase in the cores of small terrestrial planets. We will present the analysis of measured data and discuss their potential application to constrain plastic deformation in planetary cores.

Global occurrence of tellurium-rich ferromanganese crusts and a model for the enrichment of tellurium

USGS Publications Warehouse

Hein, J.R.; Koschinsky, A.; Halliday, A.N.

2003-01-01

Hydrogenetic ferromanganese oxyhydroxide crusts (Fe-Mn crusts) precipitate out of cold ambient ocean water onto hard-rock surfaces (seamounts, plateaus, ridges) at water depths of about 400 to 4000 m throughout the ocean basins. The slow-growing (mm/Ma) Fe-Mn crusts concentrate most elements above their mean concentration in the Earth's crust. Tellurium is enriched more than any other element (up to about 50,000 times) relative to its Earth's crustal mean of about 1 ppb, compared with 250 times for the next most enriched element. We analyzed the Te contents for a suite of 105 bulk hydrogenetic crusts and 140 individual crust layers from the global ocean. For comparison, we analyzed 10 hydrothermal stratabound Mn-oxide samples collected from a variety of tectonic environments in the Pacific. In the Fe-Mn crust samples, Te varies from 3 to 205 ppm, with mean contents for Pacific and Atlantic samples of about 50 ppm and a mean of 39 ppm for Indian crust samples. Hydrothermal Mn samples have Te contents that range from 0.06 to 1 ppm. Continental margin Fe-Mn crusts have lower Te contents than open-ocean crusts, which is the result of dilution by detrital phases and differences in growth rates of the hydrogenetic phases. Correlation coefficient matrices show that for hydrothermal deposits, Te has positive correlations with elements characteristic of detrital minerals. In contrast, Te in open-ocean Fe-Mn crusts usually correlates with elements characteristic of the MnO2, carbonate fluorapatite, and residual biogenic phases. In continental margin crusts, Te also correlates with FeOOH associated elements. In addition, Te is negatively correlated with water depth of occurrence and positively correlated with crust thickness. Q-mode factor analyses support these relationships. However, sequential leaching results show that most of the Te is associated with FeOOH in Fe-Mn crusts and ???10% is leached with the MnO2. Thermodynamic calculations indicate that Te occurs predominantly as H5TeO6- in ocean water. The speciation of Te in ocean water and charge balance considerations indicate that Te should be scavenged by FeOOH, which is in agreement with our leaching results. The thermodynamically more stable Te(IV) is less abundant by factors of 2 to 3.5 than Te(VI) in ocean water. This can be explained by preferential (not exclusive) scavenging of Te(IV) by FeOOH at the Fe-Mn crust surface and by Fe-Mn colloids in the water column. We propose a model in which the extreme enrichment of Te in Fe-Mn crusts is likely the result of an oxidation reaction on the surface of FeOOH. A similar oxidation process has been confirmed for Co, Ce, and Tl at the surface of MnO2 in crusts, but has not been suggested previously to occur in association with FeOOH in Fe-Mn crusts. Mass-balance considerations indicate that ocean floor Fe-Mn deposits are the major sink for Te in the oceans. The concentration and redox chemistry of Te in the global ocean are likely controlled by scavenging on Fe-Mn colloids in the water column and Fe-Mn deposits on the ocean floor, as is also the case for Ce. ?? 2003 Elsevier Science Ltd.

A comparison of the techniques of PIXE, PIGE and INAA by reference to the elemental analysis of porcine brain samples

NASA Astrophysics Data System (ADS)

Stedman, J. D.; Spyrou, N. M.

1994-12-01

The trace element concentrations in porcine brain samples as determined by particle-induced X-ray emission (PIXE) analysis, instrumental neutron activation analysis (INAA) and particle-induced gamma-ray emission (PIGE) analysis are compared. The matrix composition was determined by Rutherford backscattering (RBS). Al, Si, P, S, Cl, K, Ca, Mn, Fe and Cd were determined by PIXE analysis Na, K, Sc, Fe, Co, Zn, As, Br, Rb, and Cs by INAA and Na, Mg and Fe by PIGE analysis. The bulk elements C, N, O, Na Cl and S were found by RBS analysis. Elemental concentrations are obtained using the comparator method of analysis rather than an absolute method, the validity which is examined by comparing the elemental concentrations obtained in porcine brain using two separate certified reference materials.

Assessment of the Structural Conditions of the San Clemente a Vomano Abbey

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benedettini, Francesco; Alaggio, Rocco; Fusco, Felice

2008-07-08

The simultaneous use of a Finite Element (FE) accurate modeling, dynamical tests, model updating and nonlinear analysis are used to describe the integrated approach used by the authors to assess the structural conditions and the seismic vulnerability of an historical masonry structure: the Abbey Church of San Clemente al Vomano, situated in the Notaresco territory (TE, Italy) commissioned by Ermengarda, daughter of the Emperor Ludovico II, and built at the end of IX century together with a monastery to host a monastic community. Dynamical tests 'in operational conditions' and modal identification have been used to perform the FE model validation.more » Both a simple and direct method as the kinematic analysis applied on meaningful sub-structures and a nonlinear 3D dynamic analysis conducted by using the FE model have been used to forecast the seismic performance of the Church.« less

Storage strategies of eddy-current FE-BI model for GPU implementation

NASA Astrophysics Data System (ADS)

Bardel, Charles; Lei, Naiguang; Udpa, Lalita

2013-01-01

In the past few years graphical processing units (GPUs) have shown tremendous improvements in computational throughput over standard CPU architecture. However, this comes at the cost of restructuring the algorithms to meet the strengths and drawbacks of this GPU architecture. A major drawback is the state of limited memory, and hence storage of FE stiffness matrices on the GPU is important. In contrast to storage on CPU the GPU storage format has significant influence on the overall performance. This paper presents an investigation of a storage strategy in the implementation of a two-dimensional finite element-boundary integral (FE-BI) model for Eddy current NDE applications, on GPU architecture. Specifically, the high dimensional matrices are manipulated by examining the matrix structure and optimally splitting into structurally independent component matrices for efficient storage and retrieval of each component. Results obtained using the proposed approach are compared to those of conventional CPU implementation for validating the method.

Diversity of Chemical Bonding and Oxidation States in MS 4 Molecules of Group 8 Elements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Wei; Jiang, Ning; Schwarz, W. H. Eugen

The geometric and electronic ground-state structures of six MS 4 molecules (M = group-8 metals Fe, Ru, Os, Hs, Sm, and Pu) have been studied by using quantum-chemical density-functional and correlated wave-function approaches. The MS 4 species are compared to analogous MO 4 species recently investi-gated (Inorg. Chem. 2016, 55: 4616). Metal oxidation state (MOS) of high value VIII appears in low- spin singlet Td geometric species (Os,Hs)S 4 and (Ru,Os,Hs)O 4, whereas low MOS=II appears in high- spin septet D 2d species Fe(S 2) 2 and (slightly excited) metastable Fe(O 2) 2. The ground states of all other moleculesmore » have intermediate MOS values, containing S 2-, S 2 2-, S2 1- (and resp. O 2--, O 1-, O 2 2-, O 2 1-) ligands, bonded by ionic, covalent and correlative contributions.« less

Titanium as a Beneficial Element for Crop Production

PubMed Central

Lyu, Shiheng; Wei, Xiangying; Chen, Jianjun; Wang, Cun; Wang, Xiaoming; Pan, Dongming

2017-01-01

Titanium (Ti) is considered a beneficial element for plant growth. Ti applied via roots or leaves at low concentrations has been documented to improve crop performance through stimulating the activity of certain enzymes, enhancing chlorophyll content and photosynthesis, promoting nutrient uptake, strengthening stress tolerance, and improving crop yield and quality. Commercial fertilizers containing Ti, such as Tytanit and Mg-Titanit, have been used as biostimulants for improving crop production; however, mechanisms underlying the beneficial effects still remain unclear. In this article, we propose that the beneficial roles Ti plays in plants lie in its interaction with other nutrient elements primarily iron (Fe). Fe and Ti have synergistic and antagonistic relationships. When plants experience Fe deficiency, Ti helps induce the expression of genes related to Fe acquisition, thereby enhancing Fe uptake and utilization and subsequently improving plant growth. Plants may have proteins that either specifically or nonspecifically bind with Ti. When Ti concentration is high in plants, Ti competes with Fe for ligands or proteins. The competition could be severe, resulting in Ti phytotoxicity. As a result, the beneficial effects of Ti become more pronounced during the time when plants experience low or deficient Fe supply. PMID:28487709

User's Guide for ENSAERO_FE Parallel Finite Element Solver

NASA Technical Reports Server (NTRS)

Eldred, Lloyd B.; Guruswamy, Guru P.

1999-01-01

A high fidelity parallel static structural analysis capability is created and interfaced to the multidisciplinary analysis package ENSAERO-MPI of Ames Research Center. This new module replaces ENSAERO's lower fidelity simple finite element and modal modules. Full aircraft structures may be more accurately modeled using the new finite element capability. Parallel computation is performed by breaking the full structure into multiple substructures. This approach is conceptually similar to ENSAERO's multizonal fluid analysis capability. The new substructure code is used to solve the structural finite element equations for each substructure in parallel. NASTRANKOSMIC is utilized as a front end for this code. Its full library of elements can be used to create an accurate and realistic aircraft model. It is used to create the stiffness matrices for each substructure. The new parallel code then uses an iterative preconditioned conjugate gradient method to solve the global structural equations for the substructure boundary nodes.

Platinum group elements and gold in ferromanganese crusts from Afanasiy-Nikitin seamount, equatorial Indian Ocean: Sources and fractionation

USGS Publications Warehouse

Banakar, V.K.; Hein, J.R.; Rajani, R.P.; Chodankar, A.R.

2007-01-01

The major element relationships in ferromanganese (Fe-Mn) crusts from Afanasiy-Nikitin seamount (ANS), eastern equatorial Indian Ocean, appear to be atypical. High positive correlations (r = 0.99) between Mn/Co and Fe/Co ratios, and lack of correlation of those ratios with Co, Ce, and Ce/Co, indicate that the ANS Fe-Mn crusts are distinct from Pacific seamount Fe-Mn crusts, and reflect region-specific chemical characteristics. The platinum group elements (PGE: Ir, Ru, Rh, Pt, and Pd) and Au in ANS Fe-Mn crusts are derived from seawater and are mainly of terrestrial origin, with a minor cosmogenic component. The Ru/Rh (0.5-2) and Pt/Ru ratios (7-28) are closely comparable to ratios in continental basalts, whereas Pd/Ir ratios exhibit values ( 0.75) correlations between water depth and Mn/Co, Fe/Co, Ce/Co, Co, and the PGEs. Fractionation of the PGE-Au from seawater during colloidal precipitation of the major-oxide phases is indicated by well-defined linear positive correlations (r > 0.8) of Co and Ce with Ir, Ru, Rh, and Pt; Au/Co with Mn/Co; and by weak or no correlations of Pd with water depth, Co-normalized major-element ratios, and with the other PGE (r < 0.5). The strong enrichment of Pt (up to 1 ppm) relative to the other PGE and its positive correlations with Ce and Co demonstrate a common link for the high concentrations of all three elements, which likely involves an oxidation reaction on the Mn-oxide and Fe-oxyhydroxide surfaces. The documented fractionation of PGE-Au and their positive association with redox sensitive Co and Ce may have applications in reconstructing past-ocean redox conditions and water masses.

The effects of Fe-oxidizing microorganisms on post-biostimulation permeability reduction and oxidative processes at the Rifle IFRC site

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chan, Clara Sze-Yue

2015-07-02

Fe oxidation and biomineral formation is important in aquifers because the highly-reactive oxides can control the mobility of nutrients (e.g. phosphate, C) and metals (e.g. arsenic, uranium). Mineral formation also has the potential to affect hydrology, depending on the volume and distribution in pore spaces. In this exploratory study, we sought to understand how microbial Fe-oxidizers and their biominerals affect, and are affected by groundwater flow. As part of work at the Rifle aquifer in Colorado, we initially hypothesized that Fe-oxidizers were contributing to aquifer clogging problems associated with enhanced bioremediation. To demonstrate the presence of Fe-oxidizers in the Riflemore » aquifer, we enriched FeOM from groundwater samples, and isolated two novel chemolithotrophic, microaerophilic Fe-oxidizing Betaproteobacteria, Hydrogenophaga sp. P101 and Curvibacter sp. CD03. To image cells and biominerals in the context of pores, we developed a “micro-aquifer,” a sand-filled flow-through culture chamber that allows for imaging of sediment pore space with multiphoton confocal microscopy. Fe oxide biofilms formed on sand grains, demonstrating that FeOM produce Fe oxide sand coatings. Fe coatings are common on aquifer sands, and tend to sequester contaminants; however, it has never previously been shown that microbes are responsible for their formation. In contrast to our original hypothesis, the biominerals did not clog the mini-aquifer. Instead, Fe biofilm distribution was dynamic: they grew as coatings, then periodically sloughed off sand grains, with some flocs later caught in pore throats. This has implications for physical hydrology, including pore scale architecture, and element transport. The sloughing of coatings likely prevents the biominerals from clogging wells and aquifers, at least initially. Although attached biomineral coatings sequester Fe-associated elements (e.g. P, As, C, U), when biominerals detach, these elements are transported as particles through the aquifer. Our work shows that microbial mineralization impacts in aquifers are dynamic, and that the fate and transport of biomineral-associated elements depend not only on geochemical conditions, but also physical pore-scale processes.« less

The Abundances of the Iron Group Elements in Early B Stars in the Magellanic Clouds

NASA Astrophysics Data System (ADS)

Peters, C.

FUSE observations of four sharp-lined early B main-sequence band stars in the Magellanic Clouds will be carried through to determine the abundances of the heavy elements, especially those of the Fe group. The FUSE spectral region contains numerous Fe III lines, including the resonance multiplet (UV1) near 1130 A that is excellent for abundance determinations and two strong multiplets of V III, an ion that does not produce measurable lines longward of 1200 A in metal-deficient stars. In addition there are several measurable lines from Cr III and Mn III. Although abundances of the Fe-peak elements are of interest because they are important for assessing opacities for stellar evolution calculations and the validity of theoretical calculations of explosive nucleosynthesis, ground-based studies do not yield this information because measurable lines from these species, except for a few Fe III lines, are found only in the UV spectral region. The abundances of heavy elements provide information on the production of such elements in previous generations of stars. From FUSE data obtained in Cycle 3 we are determining the abundances of the Fe group elements in two sharp-lined early B stars in the SMC (AV 304, a field star, and NGC346-637, a star in a mini-starburst cluster). This project will allow one to compare the abundances in AV 304 and NGC346-637 with those in the LMC and other regions in the SMC and look for asymmetry in heavy element production in the Magellanic Clouds.

Crop acquisition of phosphorus, iron and zinc from soil in cereal/legume intercropping systems: a critical review

PubMed Central

Xue, Yanfang; Xia, Haiyong; Christie, Peter; Zhang, Zheng; Li, Long; Tang, Caixian

2016-01-01

Background Phosphorus (P), iron (Fe) and zinc (Zn) are essential elements for plant growth and development, but their availability in soil is often limited. Intercropping contributes to increased P, Fe and Zn uptake and thereby increases yield and improves grain nutritional quality and ultimately human health. A better understanding of how intercropping leads to increased plant P, Fe and Zn availability will help to improve P-fertilizer-use efficiency and agronomic Fe and Zn biofortification. Scope This review synthesizes the literature on how intercropping of legumes with cereals increases acquisition of P, Fe and Zn from soil and recapitulates what is known about root-to-shoot nutrient translocation, plant-internal nutrient remobilization and allocation to grains. Conclusions Direct interspecific facilitation in intercropping involves below-ground processes in which cereals increase Fe and Zn bioavailability while companion legumes benefit. This has been demonstrated and verified using isotopic nutrient tracing and molecular analysis. The same methodological approaches and field studies should be used to explore direct interspecific P facilitation. Both niche complementarity and interspecific facilitation contribute to increased P acquisition in intercropping. Niche complementarity may also contribute to increased Fe and Zn acquisition, an aspect poorly understood. Interspecific mobilization and uptake facilitation of sparingly soluble P, Fe and Zn from soil, however, are not the only determinants of the concentrations of P, Fe and Zn in grains. Grain yield and nutrient translocation from roots to shoots further influence the concentrations of these nutrients in grains. PMID:26749590

Homogeneous deposition-assisted synthesis of iron-nitrogen composites on graphene as highly efficient non-precious metal electrocatalysts for microbial fuel cell power generation

NASA Astrophysics Data System (ADS)

Liu, Yuan; Jin, Xiao-Jun; Dionysiou, Dionysios D.; Liu, Hong; Huang, Yu-Ming

2015-03-01

This work proposed a novel strategy for synthesizing highly efficient non-precious metal oxygen reduction reaction (ORR) electrocatalysts. Fe complexes were homogeneously deposited (HD) on graphene oxide through in situ hydrolysis of urea, followed by two-step pyrolysis under Ar and NH3 atmospheres, resulting in formation of Fe- and N-functionalized graphene (HD-FeN/G). The morphology, crystalline structure and elemental composition of HD-FeN/G were characterized. ORR activity was evaluated by using a rotary disk electrode (RDE) electrochemical system. HD improved the loading and distribution of the Fe-Nx composites on graphene. The ORR activity of the as-prepared HD-FeN/G in neutral medium was comparable to that of the state-of-the-art commercial Pt/C and significantly superior to a FeN/G counterpart produced via traditional approach. The ORR electron transfer number of HD-FeN/G was as high as 3.83 ± 0.08, which suggested that ORR catalysis proceeds through a four-electron pathway. HD-FeN/G was used as a cathodic electrocatalyst in microbial fuel cells (MFCs), and the resultant HD-FeN/G-MFC showed comparable voltage output and maximum power density to those of Pt/C-MFC. The HD-FeN/G-MFC achieved a maximum power density of 885 mW m-2, which was much higher than that of FeN/G-MFC (708 mW m-2). These findings demonstrate that HD-FeN/G produced through the novel synthesis strategy proposed in this work would be a good candidate as cathodic electrocatalyst in MFCs.

Finite element modeling of a 3D coupled foot-boot model.

PubMed

Qiu, Tian-Xia; Teo, Ee-Chon; Yan, Ya-Bo; Lei, Wei

2011-12-01

Increasingly, musculoskeletal models of the human body are used as powerful tools to study biological structures. The lower limb, and in particular the foot, is of interest because it is the primary physical interaction between the body and the environment during locomotion. The goal of this paper is to adopt the finite element (FE) modeling and analysis approaches to create a state-of-the-art 3D coupled foot-boot model for future studies on biomechanical investigation of stress injury mechanism, foot wear design and parachute landing fall simulation. In the modeling process, the foot-ankle model with lower leg was developed based on Computed Tomography (CT) images using ScanIP, Surfacer and ANSYS. Then, the boot was represented by assembling the FE models of upper, insole, midsole and outsole built based on the FE model of the foot-ankle, and finally the coupled foot-boot model was generated by putting together the models of the lower limb and boot. In this study, the FE model of foot and ankle was validated during balance standing. There was a good agreement in the overall patterns of predicted and measured plantar pressure distribution published in literature. The coupled foot-boot model will be fully validated in the subsequent works under both static and dynamic loading conditions for further studies on injuries investigation in military and sports, foot wear design and characteristics of parachute landing impact in military. Copyright © 2011 IPEM. Published by Elsevier Ltd. All rights reserved.

Finite element Compton tomography

NASA Astrophysics Data System (ADS)

Jannson, Tomasz; Amouzou, Pauline; Menon, Naresh; Gertsenshteyn, Michael

2007-09-01

In this paper a new approach to 3D Compton imaging is presented, based on a kind of finite element (FE) analysis. A window for X-ray incoherent scattering (or Compton scattering) attenuation coefficients is identified for breast cancer diagnosis, for hard X-ray photon energy of 100-300 keV. The point-by-point power/energy budget is computed, based on a 2D array of X-ray pencil beams, scanned vertically. The acceptable medical doses are also computed. The proposed finite element tomography (FET) can be an alternative to X-ray mammography, tomography, and tomosynthesis. In experiments, 100 keV (on average) X-ray photons are applied, and a new type of pencil beam collimation, based on a Lobster-Eye Lens (LEL), is proposed.

Quantitative assessment of metal elements using moss species as biomonitors in downwind area of lead-zinc mine.

PubMed

Balabanova, Biljana; Stafilov, Trajče; Šajn, Robert; Andonovska, Katerina Bačeva

2017-02-23

Distributions of a total of 21 elements were monitored in significantly lead-zinc polluted area using moss species (Hypnum cupressiforme and Camptothecium lutescens) used interchangeably, covering a denser sampling network. Interspecies comparison was conducted using Box-Cox transformed values, due to their skewed distribution. The median concentrations of trace elements in the both mosses examined decreased in the following order: Fe>Mn>Zn>Pb>Cu>Ni∼Cr∼As>Co>Cd>Hg. For almost all analyzed elements, H. cupressiforme revealed higher bio-accumulative abilities. For arsenic contents was obtained ER-value in favor of C. lutescens. The ER for the element contents according to the distance from the pollution source in selected areas was significantly enriched for the anthropogenic introduced elements As, Cd, Cu, Pb and Zn. After Box-Cox transformation of the content values, T B was significantly different for As (4.82), Cd (3.84), Cu (2.95), Pb (4.38), and Zn (4.23). Multivariate factor analysis singled out four elemental associations: F1 (Al-Co-Cr-Fe-Li-Ni-V), F2 (Cd-Pb-Zn), F3 (Ca-Mg-Na-P) and F4 (Cu) with a total variance of 89%. Spatial distribution visualized the hazardously higher contents of "hot spots" of Cd > 1.30 mg/kg, Cu > 22 mg/kg, Pb > 130 mg/kg and Zn > 160 mg/kg. Therefore, main approach in moss biomonitoring should be based on data management of the element distribution by reducing the effect of extreme values (considering Box-Cox data transformation); the interspecies variation in sampling media does not deviate in relation to H. cupressiforme vs. C. lutescens.

The origin of diverse α-element abundances in galaxy discs

NASA Astrophysics Data System (ADS)

Mackereth, J. Ted; Crain, Robert A.; Schiavon, Ricardo P.; Schaye, Joop; Theuns, Tom; Schaller, Matthieu

2018-07-01

Spectroscopic surveys of the Galaxy reveal that its disc stars exhibit a spread in [α/Fe] at fixed [Fe/H], manifest at some locations as a bimodality. The origin of these diverse, and possibly distinct, stellar populations in the Galactic disc is not well understood. We examine the Fe and α-element evolution of 133 Milky Way-like galaxies from the EAGLE simulation, to investigate the origin and diversity of their [α/Fe]-[Fe/H] distributions. We find that bimodal [α/Fe] distributions arise in galaxies whose gas accretion histories exhibit episodes of significant infall at both early and late times, with the former fostering more intense star formation than the latter. The shorter characteristic consumption time-scale of gas accreted in the earlier episode suppresses its enrichment with iron synthesized by Type Ia SNe, resulting in the formation of a high-[α/Fe] sequence. We find that bimodality in [α/Fe] similar to that seen in the Galaxy is rare, appearing in approximately 5 per cent of galaxies in our sample. We posit that this is a consequence of an early gas accretion episode requiring the mass accretion history of a galaxy's dark matter halo to exhibit a phase of atypically rapid growth at early epochs. The scarcity of EAGLE galaxies exhibiting distinct sequences in the [α/Fe]-[Fe/H] plane may therefore indicate that the Milky Way's elemental abundance patterns, and its accretion history, are not representative of the broader population of ˜L⋆ disc galaxies.

The origin of diverse α-element abundances in galaxy discs

NASA Astrophysics Data System (ADS)

Mackereth, J. Ted; Crain, Robert A.; Schiavon, Ricardo P.; Schaye, Joop; Theuns, Tom; Schaller, Matthieu

2018-04-01

Spectroscopic surveys of the Galaxy reveal that its disc stars exhibit a spread in [α/Fe] at fixed [Fe/H], manifest at some locations as a bimodality. The origin of these diverse, and possibly distinct, stellar populations in the Galactic disc is not well understood. We examine the Fe and α-element evolution of 133 Milky Way-like galaxies from the EAGLE simulation, to investigate the origin and diversity of their [α/Fe]-[Fe/H] distributions. We find that bimodal [α/Fe] distributions arise in galaxies whose gas accretion histories exhibit episodes of significant infall at both early and late times, with the former fostering more intense star formation than the latter. The shorter characteristic consumption timescale of gas accreted in the earlier episode suppresses its enrichment with iron synthesised by Type Ia SNe, resulting in the formation of a high-[α/Fe] sequence. We find that bimodality in [α/Fe] similar to that seen in the Galaxy is rare, appearing in approximately 5 percent of galaxies in our sample. We posit that this is a consequence of an early gas accretion episode requiring the mass accretion history of a galaxy's dark matter halo to exhibit a phase of atypically-rapid growth at early epochs. The scarcity of EAGLE galaxies exhibiting distinct sequences in the [α/Fe]-[Fe/H] plane may therefore indicate that the Milky Way's elemental abundance patterns, and its accretion history, are not representative of the broader population of ˜L⋆ disc galaxies.

Trace elements records from vermetids aragonite as millennial paleo-oceanographic archives in the South-East Mediterranean

NASA Astrophysics Data System (ADS)

Jacobson, Yitzhak; Yam, Ruth; Shemesh, Aldo

2017-04-01

The Mediterranean Sea is a region under high anthropogenic stress, thus a hotspot for climate change studies. Natural conditions, such as SST, productivity, precipitation and dust fluxes along with human induced activity affect seawater chemistry. We study millennial variability of trace elements in East Mediterranean Sea high-resolution records, in attempt to connect them to environmental factors. The Mediterranean reef builder Vermetid, D. petraeum is a sessile gastropod, secreting its aragonite shells in tidal zones. Cores of Vermetid reefs from the South Eastern Mediterranean (Israel) were previously analyzed by Sisma?Ventura et al. (2014) to reconstruct seawater surface temperature (SST) and δ13C of dissolved inorganic carbon (DIC). In this study we analyzed trace elements of these vermetid cores, and reconstructed millennial records of elements to calcium (el/Ca) molar ratios. Vermetid trace element contents from recent decades are mostly in agreement with known values for marine biogenic aragonites from corals and mollusk. We divide vermetid trace element records into three element groups: 1) Sr and U are related to SST and DIC. These elements correlate with major climatic events of the last millennium, such as the Medieval Warm Period (900-1300 AD) and the Little Ice Age (1450-1850 AD). 2) Pb and Cd are related to anthropogenic pollution and demonstrate industrial sourced trends throughout the anthropocene (since 1750 AD). 3) Terrogenous elements, including Fe, Al, Mn and V. Al in seawater and sediments has been used to trace water masses and land derived sediment source. We observe a major change in average vermetid Al/Fe ratios from 0.5 to 2.5 over the recorded period (n=72). This vermetid Al/Fe change points at a possible shift from Nilotic sediments (0.1-0.5 Al/Fe molar ratio) to Saharan dust ratio (2-4 Al/Fe molar ratio). Mn and V show a similar variability to Fe. Understanding the variability of vermetid TE can help us interpret the relative dominance of different climate systems and anthropogenic processes on the East Mediterranean environment.

Abundances in very metal-poor stars

NASA Astrophysics Data System (ADS)

Johnson, Jennifer Anne

We measured the abundances of 35 elements in 22 field red giants and a red giant in the globular cluster M92. We found the [Zn/Fe] ratio increases with decreasing [Fe/H], reaching ~0.3 at [Fe/H] = -3.0. While this is a larger [Zn/Fe] than found by previous investigators, it is not sufficient to account for the [Zn/Fe] observed in the damped Lyα systems. We test different models for the production of the s-process elements by comparing our [Y/Zr] values, which have been produced by the r- process, to predictions of what the s-process does not produce. We find that the models of Arlandini et al. (1999), which calculate s-process production in a model AGB star, agree the best. We then look at the r-process abundances across a wide range in mass. The [Y/Ba] values for most of our stars cluster around -0.30, but there are three outliers with [Y/Ba] values up to 1 dex higher. Thus the heavy element abundances do not show the same pattern from Z = 39 to Z = 56. However, our abundances ratios from Pd (Z = 46) to Yb (Z = 70) are consistent with a scaled solar system r- process pattern, arguing that at least the heavy r- process elements are made in a universal pattern. If we assume that this same pattern hold through thorium, we can determine the ages of our stars from the present abundance of radioactive thorium and an initial thorium abundance based on the abundance of stable heavy elements. Our results for five stars are consistent with those stars being the same age. Our mean age is 10.8 +/- 2 Gyr. However that result depends critically on the assumed Th/stable ratio, which we adopt from models of the r-process. For an average age of 15 Gyrs, the initial Th/Eu ratio we would need is 0.590. Finally, the [element/Fe] ratios for elements in the iron group and lower do not show any dispersion, unlike for the r- process elements such as Y and Ba. Therefore the individual contributions of supernovae have been erased for the lighter elements.

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.

Driving forces of redistribution of elements during quasicrystalline phase formation under heating of mechanically alloyed Al65Cu23Fe12 powder

NASA Astrophysics Data System (ADS)

Tcherdyntsev, V. V.; Kaloshkin, S. D.; Shelekhov, E. V.; Principi, G.; Rodin, A. O.

2008-02-01

Al65Cu23Fe12 alloys were prepared by ball milling of the elemental powders mixture. Phase and structural transformations at heating of as-milled powders were investigated by X-ray diffraction analysis. Precision analysis of Mössbauer spectra was performed to check the adequacy of the fitting of X-ray diffraction patterns. The results were compared with the data of differential scanning and solution calorimetry, as well as with the thermodynamic literature data, in order to estimate the driving forces of redistribution of elements that preceded the formation of single-phase quasicrystalline structure. The heat of elements mixing, which is positive for Cu-Fe system and negative for Al-Fe and Al-Cu systems, was supposed to be a decisive factor for phase transformations during heating of the alloy. The correlation between sequence of phase transformations during heating and the thermodynamic data was discussed and the scheme describing phase transformations observed was proposed.

A dynamic mechanical analysis technique for porous media

PubMed Central

Pattison, Adam J; McGarry, Matthew; Weaver, John B; Paulsen, Keith D

2015-01-01

Dynamic mechanical analysis (DMA) is a common way to measure the mechanical properties of materials as functions of frequency. Traditionally, a viscoelastic mechanical model is applied and current DMA techniques fit an analytical approximation to measured dynamic motion data by neglecting inertial forces and adding empirical correction factors to account for transverse boundary displacements. Here, a finite element (FE) approach to processing DMA data was developed to estimate poroelastic material properties. Frequency-dependent inertial forces, which are significant in soft media and often neglected in DMA, were included in the FE model. The technique applies a constitutive relation to the DMA measurements and exploits a non-linear inversion to estimate the material properties in the model that best fit the model response to the DMA data. A viscoelastic version of this approach was developed to validate the approach by comparing complex modulus estimates to the direct DMA results. Both analytical and FE poroelastic models were also developed to explore their behavior in the DMA testing environment. All of the models were applied to tofu as a representative soft poroelastic material that is a common phantom in elastography imaging studies. Five samples of three different stiffnesses were tested from 1 – 14 Hz with rough platens placed on the top and bottom surfaces of the material specimen under test to restrict transverse displacements and promote fluid-solid interaction. The viscoelastic models were identical in the static case, and nearly the same at frequency with inertial forces accounting for some of the discrepancy. The poroelastic analytical method was not sufficient when the relevant physical boundary constraints were applied, whereas the poroelastic FE approach produced high quality estimates of shear modulus and hydraulic conductivity. These results illustrated appropriate shear modulus contrast between tofu samples and yielded a consistent contrast in hydraulic conductivity as well. PMID:25248170

A comparison of FE beam and continuum elements for typical nitinol stent geometries

NASA Astrophysics Data System (ADS)

Ballew, Wesley; Seelecke, Stefan

2009-03-01

With interest in improved efficiency and a more complete description of the SMA material, this paper compares finite element (FE) simulations of typical stent geometries using two different constitutive models and two different element types. Typically, continuum elements are used for the simulation of stents, for example the commercial FE software ANSYS offers a continuum element based on Auricchio's SMA model. Almost every stent geometry, however, is made up of long and slender components and can be modeled more efficiently, in the computational sense, with beam elements. Using the ANSYS user programmable material feature, we implement the free energy based SMA model developed by Mueller and Seelecke into the ANSYS beam element 188. Convergence behavior for both, beam and continuum formulations, is studied in terms of element and layer number, respectively. This is systematically illustrated first for the case of a straight cantilever beam under end loading, and subsequently for a section of a z-bend wire, a typical stent sub-geometry. It is shown that the computation times for the beam element are reduced to only one third of those of the continuum element, while both formulations display a comparable force/displacement response.

Coupled BE/FE/BE approach for scattering from fluid-filled structures

NASA Technical Reports Server (NTRS)

Everstine, Gordon C.; Cheng, Raymond S.

1990-01-01

NASHUA is a coupled finite element/boundary element capability built around NASTRAN for calculating the low frequency far-field acoustic pressure field radiated or scattered by an arbitrary, submerged, three-dimensional, elastic structure subjected to either internal time-harmonic mechanical loads or external time-harmonic incident loadings. Described here are the formulation and use of NASHUA for solving such structural acoustics problems when the structure is fluid-filled. NASTRAN is used to generate the structural finite element model and to perform most of the required matrix operations. Both fluid domains are modeled using the boundary element capability in NASHUA, whose matrix formulation (and the associated NASTRAN DMAP) for evacuated structures can be used with suitable interpretation of the matrix definitions. After computing surface pressures and normal velocities, far-field pressures are evaluated using an asymptotic form of the Helmholtz exterior integral equation. The proposed numerical approach is validated by comparing the acoustic field scattered from a submerged fluid-filled spherical thin shell to that obtained with a series solution, which is also derived here.

Optimal Elastomeric Scaffold Leaflet Shape for Pulmonary Heart Valve Leaflet Replacement

PubMed Central

Fan, Rong; Bayoumi, Ahmed S.; Chen, Peter; Hobson, Christopher M.; Wagner, William R.; Mayer, John E.; Sacks, Michael S.

2012-01-01

Surgical replacement of the pulmonary valve (PV) is a common treatment option for congenital pulmonary valve defects. Engineered tissue approaches to develop novel PV replacements are intrinsically complex, and will require methodical approaches for their development. Single leaflet replacement utilizing an ovine model is an attractive approach in that candidate materials can be evaluated under valve level stresses in blood contact without the confounding effects of a particular valve design. In the present study an approach for optimal leaflet shape design based on finite element (FE) simulation of a mechanically anisotropic, elastomeric scaffold for PV replacement is presented. The scaffold was modeled as an orthotropic hyperelastic material using a generalized Fung-type constitutive model. The optimal shape of the fully loaded PV replacement leaflet was systematically determined by minimizing the difference between the deformed shape obtained from FE simulation and an ex-vivo microCT scan of a native ovine PV leaflet. Effects of material anisotropy, dimensional changes of PV root, and fiber orientation on the resulting leaflet deformation were investigated. In-situ validation demonstrated that the approach could guide the design of the leaflet shape for PV replacement surgery. PMID:23294966

Distribution of Ca, Fe, Cu and Zn in primary colorectal cancer and secondary colorectal liver metastases

NASA Astrophysics Data System (ADS)

Al-Ebraheem, A.; Mersov, A.; Gurusamy, K.; Farquharson, M. J.

2010-07-01

A microbeam synchrotron X-ray fluorescence (μSRXRF) technique has been used to determine the localization and the relative concentrations of Zn, Cu, Fe and Ca in primary colorectal cancer and secondary colorectal liver metastases. 24 colon and 23 liver samples were examined, all of which were formalin fixed tissues arranged as microarrays of 1.0 mm diameter and 10 μm thickness. The distribution of these metals was compared with light transmission images of adjacent sections that were H and E stained to reveal the location of the cancer cells. Histological details were provided for each sample which enable concentrations of all elements in different tissue types to be compared. In the case of liver, significant differences have been found for all elements when comparing tumour, normal, necrotic, fibrotic, and blood vessel tissues (Kruskal Wallis Test, P<0.0001). The concentrations of all elements have also been found to be significantly different among tumour, necrotic, fibrotic, and mucin tissues in the colon samples (Kruskal Wallis Test, P<0.0001). The concentrations of all elements have been compared between primary colorectal samples and colorectal liver metastases. Concentration of Zn, Cu, Fe and Ca are higher in all types of liver tissues compared to those in the colon tissues. Comparing liver tumour and colon tumour samples, significant differences have been found for all elements (Mann Whitney, P<0.0001). For necrotic tissues, significant increase has been found for Zn, Ca, Cu and Fe (Mann Whitney, P<0.0001 for Fe and Zn, 0.014 for Ca, and 0.001 for Cu). The liver fibrotic levels of Zn, Ca, Cu and Fe were higher than the fibrotic colon areas (independent T test, P=0.007 for Zn and Mann Whitney test P<0.0001 for Cu, Fe and Ca). For the blood vessel tissue, the analysis revealed that the difference was only significant for Fe ( P=0.009) from independent T test.

Synthesis of Xenon and Iron-Nickel Intermetallic Compounds at Earth’s Core Thermodynamic Conditions

DOE PAGES

Stavrou, Elissaios; Yao, Yansun; Goncharov, Alexander F.; ...

2018-02-28

In this study, using in situ synchrotron x-ray diffraction and Raman spectroscopy in concert with first principles calculations we demonstrate the synthesis of stable Xe(Fe ,Fe/Ni) 3 and XeNi 3 compounds at thermodynamic conditions representative of Earth’s core. Surprisingly, in the case of both the Xe-Fe and Xe-Ni systems Fe and Ni become highly electronegative and can act as oxidants. In conclusion, the results indicate the changing chemical properties of elements under extreme conditions by documenting that electropositive at ambient pressure elements could gain electrons and form anions.

A combined experimental and finite element analysis method for the estimation of eddy-current loss in NdFeB magnets.

PubMed

Fratila, Radu; Benabou, Abdelkader; Tounzi, Abdelmounaïm; Mipo, Jean-Claude

2014-05-14

NdFeB permanent magnets (PMs) are widely used in high performance electrical machines, but their relatively high conductivity subjects them to eddy current losses that can lead to magnetization loss. The Finite Element (FE) method is generally used to quantify the eddy current loss of PMs, but it remains quite difficult to validate the accuracy of the results with complex devices. In this paper, an experimental test device is used in order to extract the eddy current losses that are then compared with those of a 3D FE model.

Parametric design of pressure-relieving foot orthosis using statistics-based finite element method.

PubMed

Cheung, Jason Tak-Man; Zhang, Ming

2008-04-01

Custom-molded foot orthoses are frequently prescribed in routine clinical practice to prevent or treat plantar ulcers in diabetes by reducing the peak plantar pressure. However, the design and fabrication of foot orthosis vary among clinical practitioners and manufacturers. Moreover, little information about the parametric effect of different combinations of design factors is available. As an alternative to the experimental approach, therefore, computational models of the foot and footwear can provide efficient evaluations of different combinations of structural and material design factors on plantar pressure distribution. In this study, a combined finite element and Taguchi method was used to identify the sensitivity of five design factors (arch type, insole and midsole thickness, insole and midsole stiffness) of foot orthosis on peak plantar pressure relief. From the FE predictions, the custom-molded shape was found to be the most important design factor in reducing peak plantar pressure. Besides the use of an arch-conforming foot orthosis, the insole stiffness was found to be the second most important factor for peak pressure reduction. Other design factors, such as insole thickness, midsole stiffness and midsole thickness, contributed to less important roles in peak pressure reduction in the given order. The statistics-based FE method was found to be an effective approach in evaluating and optimizing the design of foot orthosis.

Modelling NDE pulse-echo inspection of misorientated planar rough defects using an elastic finite element method

NASA Astrophysics Data System (ADS)

Pettit, J. R.; Walker, A. E.; Lowe, M. J. S.

2015-03-01

Pulse-echo ultrasonic NDE examination of large pressure vessel forgings is a design and construction code requirement in the power generation industry. Such inspections aim to size and characterise potential defects that may have formed during the forging process. Typically these defects have a range of orientations and surface roughnesses which can greatly affect ultrasonic wave scattering behaviour. Ultrasonic modelling techniques can provide insight into defect response and therefore aid in characterisation. However, analytical approaches to solving these scattering problems can become inaccurate, especially when applied to increasingly complex defect geometries. To overcome these limitations a elastic Finite Element (FE) method has been developed to simulate pulse-echo inspections of embedded planar defects. The FE model comprises a significantly reduced spatial domain allowing for a Monte-Carlo based approach to consider multiple realisations of defect orientation and surface roughness. The results confirm that defects aligned perpendicular to the path of beam propagation attenuate ultrasonic signals according to the level of surface roughness. However, for defects orientated away from this plane, surface roughness can increase the magnitude of the scattered component propagating back along the path of the incident beam. This study therefore highlights instances where defect roughness increases the magnitude of ultrasonic scattered signals, as opposed to attenuation which is more often assumed.

In Situ Packaging FeFx into Sack-like Carbon Nanoreactors: A Smart Way To Make Soluble Fluorides Applicable to Aqueous Batteries.

PubMed

Jiang, Jian; Li, Linpo; Xu, Maowen; Zhu, Jianhui; Li, Chang Ming

2016-02-17

Ferruginous materials have long attracted great interest in aqueous batteries since Fe is an earth-abundant and low toxic element. However, their practical application is severely hindered by their poor structural stability during deep cycling. To maximize their cyclability, we herein propose a simple and effective method, by in situ packaging Fe-based materials into carbon nanosacks via a facile CVD approach. To verify our strategy, we purposely choose water-soluble Fe2F5 as a study paradigm. The in situ formed Fe2F5@C nanosacks product exhibits prominent anodic performance with high electrochemical activity and capacity, obviously prolonged cyclic lifetime, and outstanding rate capabilities. Besides, by pairing with the cathode of α-Co(OH)2 nanowire arrays@carbon cloth, a full device of rechargeable aqueous batteries has been developed, capable to deliver both high specific energy and power densities (Max. values reaching up to ∼163 Wh kg(-1) and ∼14.2 kW kg(-1)), which shows great potential in practical usage. Our present work may not only demonstrate the feasibility of using soluble fluorides as anodes for aqueous batteries but also provide a smart way to upgrade cyclic behaviors of Fe-based anodes.

Ultrasound assisted synthesis of iron doped TiO2 catalyst.

PubMed

Ambati, Rohini; Gogate, Parag R

2018-01-01

The present work deals with synthesis of Fe (III) doped TiO 2 catalyst using the ultrasound assisted approach and conventional sol-gel approach with an objective of establishing the process intensification benefits. Effect of operating parameters such as Fe doping, type of solvent, solvent to precursor ratio and initial temperature has been investigated to get the best catalyst with minimum particle size. Comparison of the catalysts obtained using the conventional and ultrasound assisted approach under the optimized conditions has been performed using the characterization techniques like DLS, XRD, BET, SEM, EDS, TEM, FTIR and UV-Vis band gap analysis. It was established that catalyst synthesized by ultrasound assisted approach under optimized conditions of 0.4mol% doping, irradiation time of 60min, propan-2-ol as the solvent with the solvent to precursor ratio as 10 and initial temperature of 30°C was the best one with minimum particle size as 99nm and surface area as 49.41m 2 /g. SEM analysis, XRD analysis as well as the TEM analysis also confirmed the superiority of the catalyst obtained using ultrasound assisted approach as compared to the conventional approach. EDS analysis also confirmed the presence of 4.05mol% of Fe element in the sample of 0.4mol% iron doped TiO 2 . UV-Vis band gap results showed the reduction in band gap from 3.2eV to 2.9eV. Photocatalytic experiments performed to check the activity also confirmed that ultrasonically synthesized Fe doped TiO 2 catalyst resulted in a higher degradation of Acid Blue 80 as 38% while the conventionally synthesized catalyst resulted in a degradation of 31.1%. Overall, the work has clearly established importance of ultrasound in giving better catalyst characteristics as well as activity for degradation of the Acid Blue 80 dye. Copyright © 2017 Elsevier B.V. All rights reserved.

Fe-C and Fe-H systems at pressures of the Earth's inner core

NASA Astrophysics Data System (ADS)

Bazhanova, Zulfiya G.; Oganov, Artem R.; Gianola, Omar

2012-05-01

The solid inner core of Earth is predominantly composed of iron alloyed with several percent Ni and some lighter elements, Si, S, O, H, and C being the prime candidates. To establish the chemical composition of the inner core, it is necessary to find the range of compositions that can explain its observed characteristics. Recently, there have been a growing number of papers investigating C and H as possible light elements in the core, but the results were contradictory. Here, using ab initio simulations, we study the Fe-C and Fe-H systems at inner core pressures (330-364 GPa). Based on the evolutionary structure prediction algorithm USPEX, we have determined the lowest-enthalpy structures of all possible carbides (FeC, Fe2C, Fe3C, Fe4C, FeC2, FeC3, FeC4, Fe7C3) and hydrides (Fe4H, Fe3H, Fe2H, FeH, FeH2, FeH3, FeH4) and have found that Fe2C (space group Pnma) is the most stable iron carbide at pressures of the inner core, while FeH, FeH3, and FeH4 are the most stable iron hydrides at these conditions. For Fe3C, the cementite structure (space group Pnma) and the Cmcm structure recently found by random sampling are less stable than the I-4 and C2/m structures predicted here. We have found that FeH3 and FeH4 adopt chemically interesting thermodynamically stable crystal structures, containing trivalent iron in both compounds. We find that the density of the inner core can be matched with a reasonable concentration of carbon, 11-15 mol.% (2.6-3.7 wt.%) at relevant pressures and temperatures, yielding the upper bound to the C content in the inner core. This concentration matches that in CI carbonaceous chondrites and corresponds to the average atomic mass in the range 49.3-51.0, in close agreement with inferences from Birch's law for the inner core. Similarly made estimates for the maximum hydrogen content are unrealistically high: 17-22 mol.% (0.4-0.5 wt.%), which corresponds to the average atomic mass of the core in the range 43.8-46.5. We conclude that carbon is a better candidate light alloying element than hydrogen.

Determining baseline element composition of lichens. I. Parmelia sulcata at Theodore Roosevelt national park, North Dakota

USGS Publications Warehouse

Gough, L.P.; Severson, R.C.; Jackson, L.L.

1988-01-01

Element-concentration baselines are given for Parmelia sulcata and associated soils. Parmelia chlorochroa was found sporadically and therefore only representative concentration ranges are reported for this species. Element data include (1) for lichens; Al, As, Ba, B, Ca, Cr, Cu, Fe, Hg, Mn, Ni, P, Sr, S, Ti, V, Y, and Zn; and (2) for soils: Al, Ba, Be, Ca, Cs, Cr, Cu, Fe, Hg, Mg, Mn, Ni, Nb, P, Pb, Sr, S, Ti, V, Y, and Zn. Very little (usually 7.2 km); thus, P sulcata is, in general, chemically similar throughout the park. This same uniformity was found for soil geochemistry. Numerous samples collected at close intervals would be required, therefore, to produce detailed element-concentration maps for P. sulcata and soils. No instances of elemental phytotoxic conditions were found; however, P. sulcata apparently possesses large concentrations of Ba, Cu, Fe, Pb, S, V, and possibly Zn.

Major and trace elements in igneous rocks from Apollo 15.

NASA Technical Reports Server (NTRS)

Helmke, P. A.; Blanchard, D. P.; Haskin, L. A.; Telander, K.; Weiss, C.; Jacobs, J. W.

1973-01-01

The concentrations of major and trace elements have been determined in igneous rocks from Apollo 15. All materials analyzed have typical depletions of Eu except for minerals separated from sample 15085. Four samples have concentrations of trace elements that are similar to those of KREEP. The samples of mare basalt from Apollo 15 have higher concentrations of FeO, MgO, Mn, and Cr and lower concentrations of CaO, Na2O, K2O, and rare-earth elements (REE) as compared to the samples of mare basalt from Apollos 11, 12, and 14. The samples can be divided into two groups on the basis of their normative compositions. One group is quartz normative and has low concentrations of FeO while the other is olivine normative and has high concentrations of FeO. The trace element data indicate that the samples of olivine normative basalt could be from different portions of a single lava flow.

Thermodynamic stability of stoichiometric LaFeO3 and BiFeO3: a hybrid DFT study.

PubMed

Heifets, Eugene; Kotomin, Eugene A; Bagaturyants, Alexander A; Maier, Joachim

2017-02-01

BiFeO 3 perovskite attracts great attention due to its multiferroic properties and potential use as a parent material for Bi 1-x Sr x FeO 3-δ and Bi 1-x Sr x Fe 1-y Co y O 3-δ solid solutions in intermediate temperature cathodes of oxide fuel cells. Another iron-based LaFeO 3 perovskite is the end member for well-known solid solutions (La 1-x Sr x Fe 1-y Co y O 3-δ ) used for oxide fuel cells and other electrochemical devices. In this study an ab initio hybrid functional approach was used for the study of the thermodynamic stability of both LaFeO 3 and BiFeO 3 with respect to decompositions to binary oxides and to elements, as a function of temperature and oxygen pressure. The localized (LCAO) basis sets describing the crystalline electron wave functions were carefully re-optimized within the CRYSTAL09 computer code. The results obtained by considering Fe as an all-electron atom and within the effective core potential technique are compared in detail. Based on our calculations, the phase diagrams were constructed allowing us to predict the stability region of stoichiometric materials in terms of atomic chemical potentials. This permits determining the environmental conditions for the existence of stable BiFeO 3 and LaFeO 3 . These conditions were presented as contour maps of oxygen atoms' chemical potential as a function of temperature and partial pressure of oxygen gas. A similar analysis was also performed using the experimental Gibbs energies of formation. The obtained phase diagrams and contour maps are compared with the calculated ones.

The thermal evolution and dynamo generation of Mercury with an Fe-Si core

NASA Astrophysics Data System (ADS)

Knibbe, Jurrien

2017-04-01

The present day partially liquid (as opposed to fully solidified) Fe-rich core of Mercury is traditionally explained by assuming a substantial amount of S to be present in the core (e.g. Grott et al., 2011), because S lowers the core's melting temperature. However, this assumption has problematic implications: Mercury's large Fe-rich core and measured low FeO surface content are indicative of an oxygen poor bulk composition, which is consistent with the volatile-poor material that is expected to have condensed from the solar nebula close to the Sun. In contrast, S is a moderately volatile element. Combined with the high S content of Mercury's crust and (likely) mantle, as indicated by the measured high S/Si surface fraction, the resulting high planetary S abundance is difficult to reconcile with a volatile poor origin of the planet. Additionally, the observed low magnetic field strength is most easily explained if compositional buoyancy fluxes are absent [Manglik et al., 2010], yet such fluxes are produced upon solidifying a pure Fe inner core from Fe-S liquid. Alternatively, both Mercury's high S/Si and Mg/Si surface ratios (Nittler et al., 2011) may indicate that a siderophile fractionation of Si and lithophile fractionation of S took place during Mercury's core-mantle differentiation. This fractionation behaviour of these elements is supported by metal/silicate partitioning experiments that have been performed at the low oxygen conditions inferred for Mercury [e.g. Chabot et al., 2014]. Mercury's bulk composition, in terms of S/Si and Fe/Si ratios, would also approach that of meteorites that are considered as potential building blocks of the planet if the core is Si-rich and S-poor. Here we simulate the thermal evolution of Mercury with an Fe-Si core. Results show that an Fe-Si core can remain largely molten until present, without the need for S. An Fe-Si core also has interesting implications for Mercury's core-convection regime and magnetic field generation. The non-preferential Si fractionation between solid and liquid metal does not produce a compositional gradient, such that compositional buoyancy fluxes are negligible. Additionally, thermally driven core convection is more efficient as a result of a high latent heat release upon solidifying Si-rich metal. Implications of this scenario for Mercury's magnetic field strength and geometry need to be further examined.

3D micro-crack propagation simulation at enamel/adhesive interface using FE submodeling and element death techniques.

PubMed

Liu, Heng-Liang; Lin, Chun-Li; Sun, Ming-Tsung; Chang, Yen-Hsiang

2010-06-01

This study investigates micro-crack propagation at the enamel/adhesive interface using finite element (FE) submodeling and element death techniques. A three-dimensional (3D) FE macro-model of the enamel/adhesive/ceramic subjected to shear bond testing was generated and analyzed. A 3D micro-model with interfacial bonding structure was constructed at the upper enamel/adhesive interface where the stress concentration was found from the macro-model results. The morphology of this interfacial bonding structure (i.e., resin tag) was assigned based on resin tag geometry and enamel rod arrangement from a scanning electron microscopy micrograph. The boundary conditions for the micro-model were determined from the macro-model results. A custom iterative code combined with the element death technique was used to calculate the micro-crack propagation. Parallel experiments were performed to validate this FE simulation. The stress concentration within the adhesive occurred mainly at the upper corner near the enamel/adhesive interface and the resin tag base. A simulated fracture path was found at the resin tag base along the enamel/adhesive interface. A morphological observation of the fracture patterns obtained from in vitro testing corresponded with the simulation results. This study shows that the FE submodeling and element death techniques could be used to simulate the 3D micro-stress pattern and the crack propagation noted at the enamel/adhesive interface.

Nd2Fe14C-based magnet with better permanent magnetic properties prepared by a simple mechanochemical method

NASA Astrophysics Data System (ADS)

Geng, Hongmin; Ji, Yuan; Zhang, Jingjing; Gao, Yuchao; Yan, Yu; Wang, Wenquan; Su, Feng; Du, Xiaobo

2017-11-01

Nd2Fe14C-based magnet is prepared by a mechanochemical method, namely high-energy ball-milling Nd2Fe11Bx (x = 0-0.15) alloy in heptane (C7H16), followed by annealing to 850 °C in vacuum. Under the action of high-energy ball-milling, Nd2Fe11Bx react with heptane to form NdH2+δ, Fe-(CB), C, etc. H2 is released and Nd2Fe17, Nd2Fe17Cx (x = 0-3), Nd2Fe14C, Nd carbides and α-Fe are formed in the subsequent annealing. C amount depends on ball-milling time t. Long time ball milling or high C content suppresses the formation of 2:17 phase and favors the formation of 2:14:1 phase in the final products. Excessive ball-milling results in the quick increase of α-Fe. The maximum of magnetically hard Nd2Fe14C is obtained at t = 4 h. For Nd2Fe11 samples, there exists considerable quantity of Nd carbides and α-Fe phase appears earlier and increases rapidly with extending the ball-milling time t. The addition of B element shortens the ball-milling time of the formation of maximum Nd2Fe14C and prominently suppresses the formation of Nd carbide and α-Fe. The optimum magnetic properties, coercivity iHc of 1193.7 kA/m, remanence Mr of 580.9 kA/m, maximum magnetic energy product (BH)max of 91.7 kJ/m3 is approaching to its theoretic value of 99.2 kJ/m3 for isotropic Nd2Fe14C magnet, are obtained in Nd2Fe11B0.06 alloy ball milled for 3.5 h.

Enhanced thermal stability of Cu alloy films by strong interaction between Ni and Zr (or Fe)

NASA Astrophysics Data System (ADS)

Zheng, Yuehong; Li, Xiaona; Cheng, Xiaotian; Li, Zhuming; Liu, Yubo; Dong, Chuang

2018-04-01

Low resistivity, phase stability and nonreactivity with surrounding dielectrics are the key to the application of Cu to ultra-large-scale integrated circuits. Here, a stable solid solution cluster model was introduced to design the composition of barrierless Cu-Ni-Zr (or Fe) seed layers. The third elements Fe and Zr were dissolved into Cu via a second element Ni, which is soluble in both Cu and Zr (or Fe). The films were prepared by magnetron sputtering on the single-crystal p-Si (1 0 0) wafers. Since the diffusion characteristics of the alloying elements are different, the effects of the strong interaction between Ni and Zr (or Fe) on the film’s stability and resistivity were studied. The results showed that a proper addition of Zr-Ni (Zr/Ni  ⩽  0.6/12) into Cu could form a large negative lattice distortion, which inhibits Cu-Si interdiffusion and enhances the stability of Cu film. When Fe-Ni was co-added into Cu, the lattice distortion of Cu reached a lower value, 0.0029 Å  ⩽  |Δa|  ⩽  0.0046 Å, and the films showed poor stability. Therefore, when the model is applied to the composition design of the films, the strong interaction between the elements and the addition ratio should be taken into consideration.

Effect of Silicon on Activity Coefficients of Siderophile Elements (P, Au, Pd, As, Ge, Sb, and In) in Liquid Fe, with Application to Core Formation

NASA Technical Reports Server (NTRS)

Righter, K.; Pando, K.; Danielson, L. R.; Humayun, M.; Righter, M.; Lapen, T.; Boujibar, A.

2016-01-01

Earth's core contains approximately 10 percent light elements that are likely a combination of S, C, Si, and O, with Si possibly being the most abundant. Si dissolved into Fe liquids can have a large effect on the magnitude of the activity coefficient of siderophile elements (SE) in Fe liquids, and thus the partitioning behavior of those elements between core and mantle. The effect of Si can be small such as for Ni and Co, or large such as for Mo, Ge, Sb, As. The effect of Si on many siderophile elements is unknown yet could be an important, and as yet unquantified, influence on the core-mantle partitioning of SE. Here we report new experiments designed to quantify the effect of Si on the partitioning of P, Au, Pd, and many other SE between metal and silicate melt. The results will be applied to Earth, for which we have excellent constraints on the mantle siderophile element concentrations.

Multi-Scale Impact and Compression-After-Impact Modeling of Reinforced Benzoxazine/Epoxy Composites using Micromechanics Approach

NASA Astrophysics Data System (ADS)

Montero, Marc Villa; Barjasteh, Ehsan; Baid, Harsh K.; Godines, Cody; Abdi, Frank; Nikbin, Kamran

A multi-scale micromechanics approach along with finite element (FE) model predictive tool is developed to analyze low-energy-impact damage footprint and compression-after-impact (CAI) of composite laminates which is also tested and verified with experimental data. Effective fiber and matrix properties were reverse-engineered from lamina properties using an optimization algorithm and used to assess damage at the micro-level during impact and post-impact FE simulations. Progressive failure dynamic analysis (PFDA) was performed for a two step-process simulation. Damage mechanisms at the micro-level were continuously evaluated during the analyses. Contribution of each failure mode was tracked during the simulations and damage and delamination footprint size and shape were predicted to understand when, where and why failure occurred during both impact and CAI events. The composite laminate was manufactured by the vacuum infusion of the aero-grade toughened Benzoxazine system into the fabric preform. Delamination footprint was measured using C-scan data from the impacted panels and compared with the predicated values obtained from proposed multi-scale micromechanics coupled with FE analysis. Furthermore, the residual strength was predicted from the load-displacement curve and compared with the experimental values as well.

Rare Earth Extraction from NdFeB Magnet Using a Closed-Loop Acid Process.

PubMed

Kitagawa, Jiro; Uemura, Ryohei

2017-08-14

There is considerable interest in extraction of rare earth elements from NdFeB magnets to enable recycling of these elements. In practical extraction methods using wet processes, the acid waste solution discharge is a problem that must be resolved to reduce the environmental impact of the process. Here, we present an encouraging demonstration of rare earth element extraction from a NdFeB magnet using a closed-loop hydrochloric acid (HCl)-based process. The extraction method is based on corrosion of the magnet in a pretreatment stage and a subsequent ionic liquid technique for Fe extraction from the HCl solution. The rare earth elements are then precipitated using oxalic acid. Triple extraction has been conducted and the recovery ratio of the rare earth elements from the solution is approximately 50% for each extraction process, as compared to almost 100% recovery when using a one-shot extraction process without the ionic liquid but with sufficient oxalic acid. Despite its reduced extraction efficiency, the proposed method with its small number of procedures at almost room temperature is still highly advantageous in terms of both cost and environmental friendliness. This study represents an initial step towards realization of a closed-loop acid process for recycling of rare earth elements.

Calibration-Free Laser-Induced Breakdown Spectroscopy (CF-LIBS) with Standard Reference Line for the Analysis of Stainless Steel.

PubMed

Fu, Hongbo; Dong, Fengzhong; Wang, Huadong; Jia, Junwei; Ni, Zhibo

2017-08-01

In this work, calibration-free laser-induced breakdown spectroscopy (CF-LIBS) is used to analyze a certified stainless steel sample. Due to self-absorption of the spectral lines from the major element Fe and the sparse lines of trace elements, it is usually not easy to construct the Boltzmann plots of all species. A standard reference line method is proposed here to solve this difficulty under the assumption of local thermodynamic equilibrium so that the same temperature value for all elements present into the plasma can be considered. Based on the concentration and rich spectral lines of Fe, the Stark broadening of Fe(I) 381.584 nm and Saha-Boltzmann plots of this element are used to calculate the electron density and the plasma temperature, respectively. In order to determine the plasma temperature accurately, which is seriously affected by self-absorption, a pre-selection procedure for eliminating those spectral lines with strong self-absorption is employed. Then, one spectral line of each element is selected to calculate its corresponding concentration. The results from the standard reference lines with and without self-absorption of Fe are compared. This method allows us to measure trace element content and effectively avoid the adverse effects due to self-absorption.

Automated muscle wrapping using finite element contact detection.

PubMed

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.

Levels of Essential Elements in Different Medicinal Plants Determined by Using Inductively Coupled Plasma Mass Spectrometry

PubMed Central

2018-01-01

The objective of this study was to investigate the content of essential elements in medicinal plants in the Kingdom of Saudi Arabia (KSA). Five different medical plants (mahareeb (Cymbopogon schoenanthus), sheeh (Artemisia vulgaris), harjal (Cynanchum argel delile), nabipoot (Equisetum arvense), and cafmariam (Vitex agnus-castus)) were collected from Madina city in the KSA. Five elements Fe, Mn, Zn, Cu, and Se were determined by using inductively coupled plasma mass spectrometry (ICP-MS). Fe levels were the highest and Se levels were the lowest in all plants. The range levels of all elements in all plants were as follows: Fe 193.4–1757.9, Mn 23.6–143.7, Zn 15.4–32.7, Se 0.13–0.92, and Cu 11.3–21.8 µg/g. Intakes of essential elements from the medical plants in infusion were calculated: Fe 4.6–13.4, Mn 6.7–123.2, Zn 7.0–42.7, Se 0.14–1.5, and Cu 1.5–5.0 µg/dose. The calculated intakes of essential elements for all plants did not exceed the daily intake set by the World Health Organization (WHO) and European Food Safety Authority (EFSA). These medicinal plants may be useful sources of essential elements, which are vital for health. PMID:29744234

Mechanical testing and modelling of carbon-carbon composites for aircraft disc brakes

NASA Astrophysics Data System (ADS)

Bradley, Luke R.

The objective of this study is to improve the understanding of the stress distributions and failure mechanisms experienced by carbon-carbon composite aircraft brake discs using finite element (FE) analyses. The project has been carried out in association with Dunlop Aerospace as an EPSRC CASE studentship. It therefore focuses on the carbon-carbon composite brake disc material produced by Dunlop Aerospace, although it is envisaged that the approach will have broader applications for modelling and mechanical testing of carbon-carbon composites in general. The disc brake material is a laminated carbon-carbon composite comprised of poly(acrylonitrile) (PAN) derived carbon fibres in a chemical vapour infiltration (CVI) deposited matrix, in which the reinforcement is present in both continuous fibre and chopped fibre forms. To pave the way for the finite element analysis, a comprehensive study of the mechanical properties of the carbon-carbon composite material was carried out. This focused largely, but not entirely, on model composite materials formulated using structural elements of the disc brake material. The strengths and moduli of these materials were measured in tension, compression and shear in several orientations. It was found that the stress-strain behaviour of the materials were linear in directions where there was some continuous fibre reinforcement, but non-linear when this was not the case. In all orientations, some degree of non-linearity was observed in the shear stress-strain response of the materials. However, this non-linearity was generally not large enough to pose a problem for the estimation of elastic moduli. Evidence was found for negative Poisson's ratio behaviour in some orientations of the material in tension. Additionally, the through-thickness properties of the composite, including interlaminar shear strength, were shown to be positively related to bulk density. The in-plane properties were mostly unrelated to bulk density over the range of densities of the tested specimens.Two types of FE model were developed using a commercially available program. The first type was designed to analyse the model composite materials for comparison with mechanical test data for the purpose of validation of the FE model. Elastic moduli predicted by this type of FE model showed good agreement with the experimentally measured elastic moduli of the model composite materials. This result suggested that the use of layered FE models, which rely upon an isostrain assumption between the layers, can be useful in predicting the elastic properties of different lay-ups of the disc brake material.The second type of FE model analysed disc brake segments, using the experimentally measured bulk mechanical properties of the disc brake material. This FE model approximated the material as a continuum with in-plane isotropy but with different properties in the through-thickness direction. In order to validate this modelling approach, the results of the FE analysis were compared with mechanical tests on disc brake segments, which were loaded by their drive tenons in a manner intended to simulate in-service loading. The FE model showed good agreement with in-plane strains measured on the disc tenon face close to the swept area of the disc, but predicted significantly higher strains than those experimentally measured on the tenon fillet curve. This discrepancy was attributed to the existence of a steep strain gradient on the fillet curve.

Orbital and maxillofacial computer aided surgery: patient-specific finite element models to predict surgical outcomes.

PubMed

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).

Trace elements in urban and suburban rainfall, Mersin, Northeastern Mediterranean

NASA Astrophysics Data System (ADS)

Özsoy, Türkan; Örnektekin, Sermin

2009-10-01

Spatial/temporal variabilities of rainwater constituents are examined based on soluble/insoluble trace elements, pH and electrical conductivity measurements in rainfall sampled during December 2003-May 2005 at two urban and two suburban sites in Mersin, an industrialized city of 850,000 inhabitants on the southern coast of Turkey. In the analyses, backward air mass trajectories for rainy days were used in addition to factor analyses, enrichment factors, phase distributions and correlations between trace elements. The pH varied from 4.8 to 8.5 with an average value of 6.2, reflecting a mainly alkaline regime. Mean concentrations of trace elements collected from urban and suburban sites are spatially variable. Based on the overall data, total concentrations of trace elements were ordered as Ca > Na > Fe > Al > Mg > K > Zn > Mn > Sr > Pb > Ni > Cr > Ba > Cu > Co > Cd. Mainly terrigeneous (Ca, Fe, Al) and, to a lesser extent, sea salt particles (Na, Mg) were shown to be the major source of trace elements. Excluding major cations, the solubilities of trace elements were found to be ordered as Sr > Zn > Ba > Mn > Cu > Ni > Cr > Fe > Al, confirming the lower solubility of crustal elements. Cd, Co and Pb were excluded from the above evaluation because of the low numbers of soluble samples allowing quantitative measurements. The solubilities of Al, Fe, Mn and particularly of Ni were found to be considerably lower than those reported for various sites around the world, most likely due to the effect of pH. During the entire sampling period, a total of 28 dust transport episodes associated with 31 red rain events were identified. Extremely high mean concentration ratios of Al (8.2), Fe (14.4) and Mn (13.1) were observed in red rain, compared to normal rain. The degree of this enhancement displayed a decrease from crustal to anthropogenic origin elements and the lowest enhancements were found for anthropogenic origin elements of Zn and Cd (both having a ratio of 1.1). Aerosol dust was found to be the main source of almost all analyzed elements in Mersin precipitation, regardless that they are crustal or anthropic derived elements. The magnitude of crustal source contribution to trace element budget of precipitation was at its highest levels for crustal originated elements, most probably due to much higher scavenging ratios of crustal elements compared to anthropogenic ones.

Gold internal standard correction for elemental imaging of soft tissue sections by LA-ICP-MS: element distribution in eye microstructures.

PubMed

Konz, Ioana; Fernández, Beatriz; Fernández, M Luisa; Pereiro, Rosario; González, Héctor; Alvarez, Lydia; Coca-Prados, Miguel; Sanz-Medel, Alfredo

2013-04-01

Laser ablation coupled to inductively coupled plasma mass spectrometry has been developed for the elemental imaging of Mg, Fe and Cu distribution in histological tissue sections of fixed eyes, embedded in paraffin, from human donors (cadavers). This work presents the development of a novel internal standard correction methodology based on the deposition of a homogeneous thin gold film on the tissue surface and the use of the (197)Au(+) signal as internal standard. Sample preparation (tissue section thickness) and laser conditions were carefully optimized, and internal normalisation using (197)Au(+) was compared with (13)C(+) correction for imaging applications. (24)Mg(+), (56)Fe(+) and (63)Cu(+) distributions were investigated in histological sections of the anterior segment of the eye (including the iris, ciliary body, cornea and trabecular meshwork) and were shown to be heterogeneously distributed along those tissue structures. Reproducibility was assessed by imaging different human eye sections from the same donor and from ten different eyes from adult normal donors, which showed that similar spatial maps were obtained and therefore demonstrate the analytical potential of using (197)Au(+) as internal standard. The proposed analytical approach could offer a robust tool with great practical interest for clinical studies, e.g. to investigate trace element distribution of metals and their alterations in ocular diseases.

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

Modelling of the material flow of Nd-Fe-B magnets under high temperature deformation via finite element simulation method

PubMed Central

Chen, Yen-Ju; Lee, Yen-I; Chang, Wen-Cheng; Hsiao, Po-Jen; You, Jr-Shian; Wang, Chun-Chieh; Wei, Chia-Min

2017-01-01

Abstract Hot deformation of Nd-Fe-B magnets has been studied for more than three decades. With a good combination of forming processing parameters, the remanence and (BH)max values of Nd-Fe-B magnets could be greatly increased due to the formation of anisotropic microstructures during hot deformation. In this work, a methodology is proposed for visualizing the material flow in hot-deformed Nd-Fe-B magnets via finite element simulation. Material flow in hot-deformed Nd-Fe-B magnets could be predicted by simulation, which fitted with experimental results. By utilizing this methodology, the correlation between strain distribution and magnetic properties enhancement could be better understood. PMID:28970869

Quantification of multiple elements in dried blood spot samples.

PubMed

Pedersen, Lise; Andersen-Ranberg, Karen; Hollergaard, Mads; Nybo, Mads

2017-08-01

Dried blood spots (DBS) is a unique matrix that offers advantages compared to conventional blood collection making it increasingly popular in large population studies. We here describe development and validation of a method to determine multiple elements in DBS. Elements were extracted from punches and analyzed using inductively coupled plasma-mass spectrometry (ICP-MS). The method was evaluated with quality controls with defined element concentration and blood spiked with elements to assess accuracy and imprecision. DBS element concentrations were compared with concentrations in venous blood. Samples with different hematocrit were spotted onto filter paper to assess hematocrit effect. The established method was precise and accurate for measurement of most elements in DBS. There was a significant but relatively weak correlation between measurement of the elements Mg, K, Fe, Cu, Zn, As and Se in DBS and venous whole blood. Hematocrit influenced the DBS element measurement, especially for K, Fe and Zn. Trace elements can be measured with high accuracy and low imprecision in DBS, but contribution of signal from the filter paper influences measurement of some elements present at low concentrations. Simultaneous measurement of K and Fe in DBS extracts may be used to estimate sample hematocrit. Copyright © 2017 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

Possibility to Use Hydrothermally Synthesized CuFeS2 Nanocomposite as an Acceptor in Hybrid Solar Cell

NASA Astrophysics Data System (ADS)

Sil, Sayantan; Dey, Arka; Halder, Soumi; Datta, Joydeep; Ray, Partha Pratim

2018-01-01

Here we have approached the plausible use of CuFeS2 nanocomposite as an acceptor in organic-inorganic hybrid solar cell. To produce CuFeS2 nanocomposite, hydrothermal strategy was employed. The room-temperature XRD pattern approves the synthesized material as CuFeS2 with no phase impurity (JCPDS Card no: 37-0471). The elemental composition of the material was analyzed from the TEM-EDX data. The obtained selected area electron diffraction (SAED) planes harmonized with the XRD pattern of the synthesized product. Optical band gap (4.14 eV) of the composite from UV-Vis analysis depicts that the synthesized material is belonging to wide band gap semiconductor family. The HOMO (- 6.97 eV) and LUMO (- 2.93 eV) positions from electrochemical study reveal that there is a possibility of electron transfer from MEH-PPV to CuFeS2. The optical absorption and photoluminescence spectra of MEH-PPV:CuFeS2 (donor:acceptor) composite were recorded sequentially by varying weight ratios. The monotonic blue shifting of the absorption peak position indicated the interaction between donor and acceptor materials. The possibility of electron transfer from donor (MEH-PPV) to acceptor (CuFeS2) was approved with photoluminescence analysis. Subsequently, we have fabricated a hybrid solar cell by incorporating CuFeS2 nanocomposite with MEH-PPV in open atmosphere and obtained 0.3% power conversion efficiency.

Assessing man-induced environmental changes in the Sepetiba Bay (Southeastern Brazil) with geochemical and satellite data

NASA Astrophysics Data System (ADS)

Araújo, Daniel Ferreira; Peres, Lucas G. M.; Yepez, Santiago; Mulholland, Daniel S.; Machado, Wilson; Tonhá, Myller; Garnier, Jérémie

2017-10-01

The Sepetiba Bay, Southeastern Brazil, has undergone intense environmental changes due to anthropogenic influence. This work aims to: (i) evaluate the changes in the drainage landscape use over the last decades, (ii) identify new and past punctual and diffuse anthropogenic sources and assess risks of man-induced disturbances of the coastal zones of Sepetiba. A multivariate statistics approach on the sediment's elemental geochemical dataset discriminated three groups: the electroplating waste-affected elements (As, Cd, Pb, Cu and Zn), terrigenous elements (Si, K, Ti, Al and Fe), and biogenic and carbonate-derived elements (Ca, Mg, Mn, P, Ni, and Cr). Sediment core profiles of trace elements evidence records of former environmental impacts from old metallurgical wastes. Analysis of two Landsat images from 30 years ago and 2015 reveals a decrease in the mangrove area of nearly 26%. The ongoing suppression of mangroves could enhance the release of trace elements into the Sepetiba Bay, increasing the risks to human and biota health.

The GALAH Survey: Second Data Release

NASA Astrophysics Data System (ADS)

Buder, Sven; Asplund, Martin; Duong, Ly; Kos, Janez; Lind, Karin; Ness, Melissa K.; Sharma, Sanjib; Bland-Hawthorn, Joss; Casey, Andrew R.; De Silva, Gayandhi M.; D'Orazi, Valentina; Freeman, Ken C.; Lewis, Geraint F.; Lin, Jane; Martell, Sarah L.; Schlesinger, Katharine J.; Simpson, Jeffrey D.; Zucker, Daniel B.; Zwitter, Tomaž; Amarsi, Anish M.; Anguiano, Borja; Carollo, Daniela; Casagrande, Luca; Čotar, Klemen; Cottrell, Peter L.; Da Costa, Gary; Gao, Xudong D.; Hayden, Michael R.; Horner, Jonathan; Ireland, Michael J.; Kafle, Prajwal R.; Munari, Ulisse; Nataf, David M.; Nordlander, Thomas; Stello, Dennis; Ting, Yuan-Sen; Traven, Gregor; Watson, Fred; Wittenmyer, Robert A.; Wyse, Rosemary F. G.; Yong, David; Zinn, Joel C.; Žerjal, Maruša

2018-05-01

The Galactic Archaeology with HERMES (GALAH) survey is a large-scale stellar spectroscopic survey of the Milky Way, designed to deliver complementary chemical information to a large number of stars covered by the Gaia mission. We present the GALAH second public data release (GALAH DR2) containing 342,682 stars. For these stars, the GALAH collaboration provides stellar parameters and abundances for up to 23 elements to the community. Here we present the target selection, observation, data reduction and detailed explanation of how the spectra were analysed to estimate stellar parameters and element abundances. For the stellar analysis, we have used a multi-step approach. We use the physics-driven spectrum synthesis of Spectroscopy Made Easy (SME) to derive stellar labels (Teff, log g, [Fe/H], [X/Fe], vmic, vsin i, A_{K_S}) for a representative training set of stars. This information is then propagated to the whole sample with the data-driven method of The Cannon. Special care has been exercised in the spectral synthesis to only consider spectral lines that have reliable atomic input data and are little affected by blending lines. Departures from local thermodynamic equilibrium (LTE) are considered for several key elements, including Li, O, Na, Mg, Al, Si, and Fe, using 1D MARCS stellar atmosphere models. Validation tests including repeat observations, Gaia benchmark stars, open and globular clusters, and K2 asteroseismic targets lend confidence to our methods and results. Combining the GALAH DR2 catalogue with the kinematic information from Gaia will enable a wide range of Galactic Archaeology studies, with unprecedented detail, dimensionality, and scope.

Alloying effects of Ni, Si, and S on the phase diagram and sound velocities of Fe under high pressures and high temperatures

NASA Astrophysics Data System (ADS)

Lin, J.; Fei, Y.; Sturhahn, W.; Zhao, J.; Mao, H.; Hemley, R.

2004-05-01

Iron-nickel is the most abundant constituent of the Earth's core. The amount of Ni in the core is about 5.5 wt%. Geophysical and cosmochemical studies suggest that the Earth's outer core also contains approximately 10% of light element(s) and a certain amount of light element(s) may be present in the inner core. Si and S are believed to be alloying light elements in the iron-rich planetary cores such as the Earth and Mars. Therefore, understanding the alloying effects of Ni, Si, and S on the phase diagram and physical properties of Fe under core conditions is crucial for geophysical and geochemical models of planetary interiors. The addition of Ni and Si does not appreciably change the compressibility of hcp-Fe under high pressures. Studies of the phase relations of Fe and Fe-Ni alloys indicate that Fe with up to 10 wt% Ni is likely to be in the hcp structure under inner core conditions. On the other hand, adding Si into Fe strongly stabilizes the bcc structure to much higher pressures and temperatures (Lin et al., 2002). We have also studied the sound velocities and magnetic properties of Fe0.92Ni0.08, Fe0.85Si0.15, and Fe3S alloys with nuclear resonant inelastic x-ray scattering and nuclear forward scattering up to 106 GPa, 70 GPa, and 57 GPa, respectively. The sound velocities of the alloys are obtained from the measured partial phonon density of states for 57Fe incorporated in the alloys. Addition of Ni slightly decreases the VP and VS of Fe under high pressures (Lin et al., 2003). Si or S alloyed with Fe increases the VP and VS under high pressures, which provides a better match to seismological data of the Earth's core. We note that the increase in the VP and VS of Fe0.85Si0.15 and Fe3S is mainly contributed from the density decrease of adding Si and S in iron. Time spectra of the nuclear forward scattering reveal that the most iron rich sulfide, Fe3S, undergoes a magnetic to non-magnetic transition at approximately 18 GPa from a low-pressure magnetically ordered state to a high-pressure non-magnetic ordered state. The magnetic transition significantly affects the elastic, thermodynamic, and vibrational properties of Fe3S. It is conceivable that the magnetic collapse of Fe3S may also affect the binary phase diagram of the iron-sulfur system, changing the solubility of sulfur in iron under higher pressures. Study of the non-magnetic phase is more relevant to understand the properties of the Fe3S under planetary core conditions where high pressures and high temperature ensure the non-magnetic ordering state, affecting the interpretation of the amount and properties of sulfur being in the planetary cores. If the Martian core is in the solid state containing 14.2 wt% sulfur, it is likely that the non-magnetic Fe3S phase is a dominant component and that our measured sound velocities of Fe3S can be used to understand the velocity profile in the Martian core.

What Has Finite Element Analysis Taught Us about Diabetic Foot Disease and Its Management? A Systematic Review

PubMed Central

Telfer, Scott; Erdemir, Ahmet; Woodburn, James; Cavanagh, Peter R.

2014-01-01

Background Over the past two decades finite element (FE) analysis has become a popular tool for researchers seeking to simulate the biomechanics of the healthy and diabetic foot. The primary aims of these simulations have been to improve our understanding of the foot’s complicated mechanical loading in health and disease and to inform interventions designed to prevent plantar ulceration, a major complication of diabetes. This article provides a systematic review and summary of the findings from FE analysis-based computational simulations of the diabetic foot. Methods A systematic literature search was carried out and 31 relevant articles were identified covering three primary themes: methodological aspects relevant to modelling the diabetic foot; investigations of the pathomechanics of the diabetic foot; and simulation-based design of interventions to reduce ulceration risk. Results Methodological studies illustrated appropriate use of FE analysis for simulation of foot mechanics, incorporating nonlinear tissue mechanics, contact and rigid body movements. FE studies of pathomechanics have provided estimates of internal soft tissue stresses, and suggest that such stresses may often be considerably larger than those measured at the plantar surface and are proportionally greater in the diabetic foot compared to controls. FE analysis allowed evaluation of insole performance and development of new insole designs, footwear and corrective surgery to effectively provide intervention strategies. The technique also presents the opportunity to simulate the effect of changes associated with the diabetic foot on non-mechanical factors such as blood supply to local tissues. Discussion While significant advancement in diabetic foot research has been made possible by the use of FE analysis, translational utility of this powerful tool for routine clinical care at the patient level requires adoption of cost-effective (both in terms of labour and computation) and reliable approaches with clear clinical validity for decision making. PMID:25290098

Corrosion behaviour of Al-Fe-Ti-V medium entropy alloy

NASA Astrophysics Data System (ADS)

Bodunrin, M. O.; Obadele, B. A.; Chown, L. H.; Olubambi, P. A.

2017-12-01

Alloys containing up to four multi-principal elements in equiatomic ratios are referred to as medium entropy alloys (MEA). These alloys have attracted the interest of many researchers due to the superior mechanical properties it offers over the traditional alloys. The design approach of MEA often results to simple solid solution with either body centered cubic; face centered cubic structures or both. As the consideration for introducing the alloys into several engineering application increases, there have been efforts to study the corrosion behaviour of these alloys. Previous reports have shown that some of these alloys are more susceptible to corrosion when compared with traditional alloys due to lack of protective passive film. In this research, we have developed AlFeTiV medium entropy alloys containing two elements (Ti and Al) that readily passivate when exposed to corrosive solutions. The alloys were produced in vacuum arc furnace purged with high purity argon. Open circuit potential and potentiodynamic polarisation tests were used to evaluate the corrosion behaviour of the as-cast AlFeTiV alloy in 3.5 wt% NaCl and 1 M H2SO4. The corrosion performance of the alloy was compared with Ti-6Al-4V alloy tested under similar conditions. The results show that unlike in Ti-6Al-4V alloy, the open circuit potential of the AlFeTiV alloy move towards the negative values in both 3.5 wt% NaCl and 1 M H2SO4 solutions indicating that self-activation occurred rapidly on immersion. Anodic polarisation of the alloys showed that AlFeTiV alloy exhibited a narrow range of passivity in both solutions. In addition, the alloys exhibited lower Ecorr and higher Icorr when compared with traditional Ti-6Al-4V alloy. The traditional Ti-6Al-4V alloy showed superior corrosion resistant to the AlFeTiV alloy in both 3.5 wt.% NaCl and 1 M H2SO4 solutions.

Evaluation of elemental enrichments in surface sediments off southwestern Taiwan

NASA Astrophysics Data System (ADS)

Chen, Chen-Tung; Kandasamy, Selvaraj

2008-05-01

Surface slices of 20 sediment cores, off southwestern Taiwan, and bed sediment of River Kaoping were measured for major and trace elements (Al, As, Ca, Cd, Cl, Cr, Cu, Fe, K, Mg, Mn, Na, Ni, P, Pb, S, Si, Ti, V, and Zn) to evaluate the geochemical processes responsible for their distribution, including elemental contamination. Major element/Al ratio and mean grain size indicate quartz-dominated, coarse grained sediments that likely derived from sedimentary rocks of Taiwan and upper crust of Yangtze Craton. Bi-plot of SiO2 versus Fe2O{3/T} suggests the possible iron enrichment in sediments of slag dumping sites. Highest concentrations of Cr, Mn, P, S, and Zn found in sediments of dumping sites support this. Correlation analysis shows dual associations, detrital and organic carbon, for Cr, P, S, and V with the latter association typical for sediments in dumping sites. Normalization of trace elements to Al indicates high enrichment factors (>2) for As, Cd, Pb, and Zn, revealing contamination. Factor analysis extracted four geochemical associations with the principal factor accounted for 25.1% of the total variance and identifies the combined effects of dumped iron and steel slag-induced C-S-Fe relationship owing to authigenic precipitation of Fe-Mn oxyhydroxides and/or metal sulfides, and organic matter complexation of Fe, Mn, Ca, Cr, P, and V. Factors 2, 3, and 4 reveal detrital association (Ti, Al, Ni, Pb, Cu, and V), effect of sea salt (Cl, Mg, Na, and K) and anthropogenic component (As and Zn)-carbonate link, respectively, in the investigated sediments.

Abundances in metal-rich stars. Detailed abundance analysis of 47 G and K dwarf stars with [Me/H] > 0.10 dex

NASA Astrophysics Data System (ADS)

Feltzing, S.; Gustafsson, B.

1998-04-01

We have derived elemental abundances of O, Na, Mg, Al, Si, Ca, Ti, Cr, Mn, Fe, Co, Ni as well as for a number of s-elements for 47 G and K dwarf, with [Me/H]>0.1 dex. The selection of stars was based on their kinematics as well as on their uvby-beta photometry. One sample of stars on rather eccentric orbits traces the chemical evolution interior to the solar orbit and another, on circular orbits, the evolution around the solar orbit. A few Extreme Population I stars were included in the latter sample. The stars have -0.1 dex < [Fe/H] < 0.42 dex. The spectroscopic [Fe/H] correlate well with the [Me/H] derived from uvby-beta photometry. We find that the elemental abundances of Mg, Al, Si, Ca, Ti, Cr and Ni all follow [Fe/H]. Our data put further constraints on models of galactic chemical evolution, in particular of Cr, Mn and Co which have not previously been studied for dwarf stars with [Me/H] >0.1 dex. The increase in [Na/Fe] and [Al/Fe] as a function of [Fe/H] found previously by \\cite[Edvardsson et al. (1993a)]{Edv93} has been confirmed for [Na/Fe]. This upturning relation, and the scatter around it, are shown not to be due to a mixture of populations with different mean distances to the galactic centre. We do not confirm the same trend for aluminium, which is somewhat surprising since both these elements are thought to be produced in the same environments in the pre-supernova stars. Nor have we been able to trace any tendency for relative abundances of O, Si, and Ti relative to Fe to vary with the stellar velocities, i.e. the stars present mean distance to the galactic centre. These results imply that there is no significant difference in the chemical evolution of the different stellar populations for stars with [Me/H]>0.1 dex. We find that [O/Fe] continue to decline with increasing [Fe/H] and that oxygen and europium correlate well. However [Si/Fe] and [Ca/Fe] seem to stay constant. A real (``cosmic'') scatter in [Ti/Fe] at given [Fe/H] is suggested as well as a decreasing abundance of the s-elements relative to iron for the most metal-rich dwarf stars. We discuss our results in the context of recent models of galactic chemical evolution. In our sample we have included a few very metal rich stars, sometimes called SMR (super metal rich) stars. We find these stars to be among the most iron-rich in our sample but far from as metal-rich as indicated by their photometric metallicities. SMR stars on highly eccentric orbits, alleged to trace the evolution of the chemical evolution in the galactic Bulge, have previously been found overabundant in O, Mg and Si. We have included three such stars from the study by \\cite[Barbuy & Grenon (1990)]{Bar90}. We find them to be less metal rich and the other elemental abundances remain puzzling. Detailed spectroscopic abundance analyses of K dwarf stars are rare. Our study includes 5 K dwarf stars and has revealed what appears to be a striking example of overionization. The overionization is especially prominent for Ca, Cr and Fe. The origin of this apparent overionization is not clear and we discuss different explanations in some detail. Based on observations at the McDonald Observatory.

Trace of heavy metals in maternal and umbilical cord blood samples in association with birth outcomes in Baghdad, Iraq

NASA Astrophysics Data System (ADS)

Hasan Rhaif Al-Sahlanee, Mayyadah; Maizan Ramli, Ramzun; Abdul Hassan Ali, Miami; Fadhil Tawfiq, Nada; Zahirah Noor Azman, Nurul; Abdul Rahman, Azhar; Shahrim Mustafa, Iskandar; Noor Ashikin Nik Abdul Razak, Nik; Zakiah Yahaya, Nor; Mohammed Al-Marri, Hana; Syuhada Ayob, Nur; Zakaria, Nabela

2017-10-01

Trace elements are essential nutritional components in humans and inconvenient tissue content that have a significant influence on infant size. The aim of this study is to evaluate the effects of concentration of elements (uranium (U), lead (Pb) and iron (Fe)) and absorption of Pb and Fe on maternal and umbilical cord blood samples. The concentration and absorption of Pb and Fe in blood samples were determined by using atomic absorption spectrophotometry device, while the uranium concentration was determined by using CR-39 detector. Fifty women of age 16-44 years are involved in this study. Results show that the maximum and minimum values of both concentration and absorption in the maternal samples were for Pb and Fe, respectively. In addition, for umbilical cord, the maximum values of concentration and absorption were for Fe and the minimum concentration and absorption were for U and Pb, respectively. A significant correlation between maternal and umbilical cord blood samples was found. This indicates that the Pb, U and Fe elements can easily transfer from maternal to the fetal body which impacts the growth of fetus.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jacobson, Heather R.; Pilachowski, Catherine A.; Friel, Eileen D., E-mail: jacob189@msu.edu, E-mail: catyp@astro.indiana.edu, E-mail: edfriel@mac.com

We present a detailed chemical abundance study of evolved stars in 10 open clusters based on Hydra multi-object echelle spectra obtained with the WIYN 3.5 m telescope. From an analysis of both equivalent widths and spectrum synthesis, abundances have been determined for the elements Fe, Na, O, Mg, Si, Ca, Ti, Ni, Zr, and for two of the 10 clusters, Al and Cr. To our knowledge, this is the first detailed abundance analysis for clusters NGC 1245, NGC 2194, NGC 2355, and NGC 2425. These 10 clusters were selected for analysis because they span a Galactocentric distance range R{sub gc}more » {approx} 9-13 kpc, the approximate location of the transition between the inner and outer disks. Combined with cluster samples from our previous work and those of other studies in the literature, we explore abundance trends as a function of cluster R{sub gc}, age, and [Fe/H]. As found previously by us and other studies, the [Fe/H] distribution appears to decrease with increasing R{sub gc} to a distance of {approx}12 kpc and then flattens to a roughly constant value in the outer disk. Cluster average element [X/Fe] ratios appear to be independent of R{sub gc}, although the picture for [O/Fe] is more complicated with a clear trend of [O/Fe] with [Fe/H] and sample incompleteness. Other than oxygen, no other element [X/Fe] exhibits a clear trend with [Fe/H]; likewise, there does not appear to be any strong correlation between abundance and cluster age. We divided clusters into different age bins to explore temporal variations in the radial element distributions. The radial metallicity gradient appears to have flattened slightly as a function of time, as found by other studies. There is also some indication that the transition from the inner disk metallicity gradient to the {approx}constant [Fe/H] distribution of the outer disk occurs at different Galactocentric radii for different age bins. However, interpretation of the time evolution of radial abundance distributions is complicated by the unequal R{sub gc} and [Fe/H] ranges spanned by clusters in different age bins.« less

Improvements on a non-invasive, parameter-free approach to inverse form finding

NASA Astrophysics Data System (ADS)

Landkammer, P.; Caspari, M.; Steinmann, P.

2017-08-01

Our objective is to determine the optimal undeformed workpiece geometry (material configuration) within forming processes when the prescribed deformed geometry (spatial configuration) is given. For solving the resulting shape optimization problem—also denoted as inverse form finding—we use a novel parameter-free approach, which relocates in each iteration the material nodal positions as design variables. The spatial nodal positions computed by an elasto-plastic finite element (FE) forming simulation are compared with their prescribed values. The objective function expresses a least-squares summation of the differences between the computed and the prescribed nodal positions. Here, a recently developed shape optimization approach (Landkammer and Steinmann in Comput Mech 57(2):169-191, 2016) is investigated with a view to enhance its stability and efficiency. Motivated by nonlinear optimization theory a detailed justification of the algorithm is given. Furthermore, a classification according to shape changing design, fixed and controlled nodal coordinates is introduced. Two examples with large elasto-plastic strains demonstrate that using a superconvergent patch recovery technique instead of a least-squares (L2 )-smoothing improves the efficiency. Updating the interior discretization nodes by solving a fictitious elastic problem also reduces the number of required FE iterations and avoids severe mesh distortions. Furthermore, the impact of the inclusion of the second deformation gradient in the Hessian of the Quasi-Newton approach is analyzed. Inverse form finding is a crucial issue in metal forming applications. As a special feature, the approach is designed to be coupled in a non-invasive fashion to arbitrary FE software.

Improvements on a non-invasive, parameter-free approach to inverse form finding

NASA Astrophysics Data System (ADS)

Landkammer, P.; Caspari, M.; Steinmann, P.

2018-04-01

Our objective is to determine the optimal undeformed workpiece geometry (material configuration) within forming processes when the prescribed deformed geometry (spatial configuration) is given. For solving the resulting shape optimization problem—also denoted as inverse form finding—we use a novel parameter-free approach, which relocates in each iteration the material nodal positions as design variables. The spatial nodal positions computed by an elasto-plastic finite element (FE) forming simulation are compared with their prescribed values. The objective function expresses a least-squares summation of the differences between the computed and the prescribed nodal positions. Here, a recently developed shape optimization approach (Landkammer and Steinmann in Comput Mech 57(2):169-191, 2016) is investigated with a view to enhance its stability and efficiency. Motivated by nonlinear optimization theory a detailed justification of the algorithm is given. Furthermore, a classification according to shape changing design, fixed and controlled nodal coordinates is introduced. Two examples with large elasto-plastic strains demonstrate that using a superconvergent patch recovery technique instead of a least-squares (L2)-smoothing improves the efficiency. Updating the interior discretization nodes by solving a fictitious elastic problem also reduces the number of required FE iterations and avoids severe mesh distortions. Furthermore, the impact of the inclusion of the second deformation gradient in the Hessian of the Quasi-Newton approach is analyzed. Inverse form finding is a crucial issue in metal forming applications. As a special feature, the approach is designed to be coupled in a non-invasive fashion to arbitrary FE software.

Trace Elements and Carbon and Nitrogen Stable Isotopes in Organisms from a Tropical Coastal Lagoon

PubMed Central

van Hattum, B.; de Boer, J.; van Bodegom, P. M.; Rezende, C. E.; Salomons, W.

2010-01-01

Trace elements (Fe, Mn, Al, Zn, Cr, Cu, Ni, Pb, Cd, Hg, and As) and stable isotope ratios (δ13C and δ15N) were analyzed in sediments, invertebrates, and fishes from a tropical coastal lagoon influenced by iron ore mining and processing activities to assess the differences in trace element accumulation patterns among species and to investigate relations with trophic levels of the organisms involved. Overall significant negative relations between trophic level (given by 15N) and trace element concentrations in gastropods and crustaceans showed differences in internal controls of trace element accumulation among the species of different trophic positions, leading to trace element dilution. Generally, no significant relation between δ15N and trace element concentrations was observed among fish species, probably due to omnivory in a number of species as well as fast growth. Trace element accumulation was observed in the fish tissues, with higher levels of most trace elements found in liver compared with muscle and gill. Levels of Fe, Mn, Al, and Hg in invertebrates, and Fe and Cu in fish livers, were comparable with levels in organisms and tissues from other contaminated areas. Trace element levels in fish muscle were below the international safety baseline standards for human consumption. PMID:20217062

Trace elements and carbon and nitrogen stable isotopes in organisms from a tropical coastal lagoon.

PubMed

Pereira, A A; van Hattum, B; de Boer, J; van Bodegom, P M; Rezende, C E; Salomons, W

2010-10-01

Trace elements (Fe, Mn, Al, Zn, Cr, Cu, Ni, Pb, Cd, Hg, and As) and stable isotope ratios (delta(13)C and delta(15)N) were analyzed in sediments, invertebrates, and fishes from a tropical coastal lagoon influenced by iron ore mining and processing activities to assess the differences in trace element accumulation patterns among species and to investigate relations with trophic levels of the organisms involved. Overall significant negative relations between trophic level (given by (15)N) and trace element concentrations in gastropods and crustaceans showed differences in internal controls of trace element accumulation among the species of different trophic positions, leading to trace element dilution. Generally, no significant relation between delta(15)N and trace element concentrations was observed among fish species, probably due to omnivory in a number of species as well as fast growth. Trace element accumulation was observed in the fish tissues, with higher levels of most trace elements found in liver compared with muscle and gill. Levels of Fe, Mn, Al, and Hg in invertebrates, and Fe and Cu in fish livers, were comparable with levels in organisms and tissues from other contaminated areas. Trace element levels in fish muscle were below the international safety baseline standards for human consumption.

Synergistic increase of oxygen reduction favourable Fe-N coordination structures in a ternary hybrid of carbon nanospheres/carbon nanotubes/graphene sheets.

PubMed

Zhang, Shiming; Liu, Bin; Chen, Shengli

2013-11-14

A Fe/N co-doped ternary nanocarbon hybrid, with uniform bamboo-like carbon nanotubes (CNTs) in situ grown on/between the single/few-layer graphene sheets interspaced by carbon nanosphere aggregates, was prepared through a one-pot heat treatment of a precursor mixture containing graphene oxide, Vulcan XC-72 carbon nanospheres, nitrogen rich melamine and small amounts of Fe ions. Physical characterization including electron microscopic images, N2 adsorption-desorption isotherms, pore size distribution, XPS, XRD, Mössbauer spectra, and EDX revealed that the 0-D/1-D/2-D ternary hybrid architecture not only offered an optimized morphology for high dispersion of each nanocarbon moiety, while the carbon nanosphere interspaced graphene sheets have provided a platform for efficient reaction between Fe ions and melamine molecules, resulting in uniform nucleation and growth of CNTs and formation of high density Fe-N coordination assemblies that have been believed to be the active centers for the oxygen reduction reaction (ORR) in carbon-based nonprecious metal electrocatalysts. In the absence of graphene oxides or carbon nanospheres, a similar heat treatment was found to result in large amounts of elemental Fe and Fe carbides and entangled CNTs with wide diameter distributions. As a result, the ternary Fe/N-doped nanocarbon hybrid exhibits ORR activity much higher than the Fe-N doped single or binary nanocarbon materials prepared under similar heat treatment conditions, and approaching that of the state-of-the-art carbon-supported platinum catalyst (Pt/C) in acidic media, as well as superior stability and methanol tolerance to Pt/C.

Towards Improved Finite Element Modelling of the Interaction of Elastic Waves with Complex Defect Geometries

NASA Astrophysics Data System (ADS)

Rajagopal, P.; Drozdz, M.; Lowe, M. J. S.

2009-03-01

A solution to the problem of improving the finite element (FE) modeling of elastic wave-defect interaction is sought by reconsidering the conventional opinion on meshing strategy. The standard approach using uniform square elements imposes severe limitations in representing complex defect outlines but this is thought to improve when the mesh is made finer. Free meshing algorithms available widely in commercial packages of late can cope with difficult features well but they are thought to cause scattering by the irregular mesh itself. This paper examines whether the benefits offered by free meshing in representing defects better outweigh the inaccuracies due to mesh scattering. If using the standard mesh, the questions whether mesh refinement leads to improved results and whether a practical strategy can be constructed are considered.

Spectroscopic Study of HD 179821 (IRAS 19114+0002): Proto-Planetary Nebula or Supergiant?

NASA Technical Reports Server (NTRS)

Reddy, B. E.; Hrivnak, Bruce J.

1999-01-01

A detailed chemical composition analysis of the bright post-AGB candidate HD 179821 (IRAS 19114 + 0002) is presented. The LTE analysis, based on high-resolution (R approximately equal 50,000) and high-quality (S/N approximately equal 300) spectra, yields atmospheric parameters T(sub eff) = 6750 K, log g = 0.5, and xi(sub t) = 5.25 km/s. The elemental abundance results of HD 179821 are found to be [Fe/H] = -0.1, [C/Fe] = +0.2, [N/Fe] = +1.3, [O/Fe] = +0.2, [alpha-process/Fe] = +0.5, and [s-process/Fe] = +0.4. These values clearly differ from the elemental abundances of Population I F supergiants. The C, N, and O abundances and the total CNO abundance value relative to Fe, [C+N+O/Fe] = +0.5, indicate that the photosphere of HD 179821 is contaminated with both the H- and He-burning products of the AGB phase. The evidence for He burning through the 3.alpha process and deep AGB mixing also comes from the observed overabundances of s-process elements. Remarkably, the abundance of the element Na is found to be very large, [Na/Fe] = +0.9. The ratio O/C = 2.6 indicates that the atmosphere is oxygen rich. The results of this abundance study support the argument that HD 179821 is a proto-planetary nebula,. probably with an intermediate-mass progenitor. However, the strength of the O I triplet lines at 7774 A and the distance derived from the interstellar Na I D1 and D2 components imply that the star is a luminous object (M(sub bol) approximately -8.9 +/- 1) and thus a massive supergiant. Thus, while this study contributes important new observational results for this star, an unambiguous determination of its evolutionary status has yet to be achieved.

Rates of As and trace-element mobilization caused by Fe reduction in mixed BTEX–ethanol experimental plumes

USGS Publications Warehouse

Ziegler, Brady A.; McGuire, Jennifer T.; Cozzarelli, Isabelle M.

2015-01-01

Biodegradation of organic matter, including petroleum-based fuels and biofuels, can create undesired secondary water-quality effects. Trace elements, especially arsenic (As), have strong adsorption affinities for Fe(III) (oxyhydr)-oxides and can be released to groundwater during Fe-reducing biodegradation. We investigated the mobilization of naturally occurring As, cobalt (Co), chromium (Cr), and nickel (Ni) from wetland sediments caused by the introduction of benzene, toluene, ethylbenzene, and xylenes (BTEX) and ethanol mixtures under iron- and nitrate-reducing conditions, using in situ push–pull tests. When BTEX alone was added, results showed simultaneous onset and similar rates of Fe reduction and As mobilization. In the presence of ethanol, the maximum rates of As release and Fe reduction were higher, the time to onset of reaction was decreased, and the rates occurred in multiple stages that reflected additional processes. The concentration of As increased from <1 μg/L to a maximum of 99 μg/L, exceeding the 10 μg/L limit for drinking water. Mobilization of Co, Cr, and Ni was observed in association with ethanol biodegradation but not with BTEX. These results demonstrate the potential for trace-element contamination of drinking water during biodegradation and highlight the importance of monitoring trace elements at natural and enhanced attenuation sites.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gong, Ke; Xu, Fei; Grunewald, Jonathan B.

The rapid growth of intermittent renewable energy (e.g., wind and solar) demands low-cost and large-scale energy storage systems for smooth and reliable power output, where redox-flow batteries (RFBs) could find their niche. In this work, we introduce the first all-soluble all-iron RFB based on iron as the same redox-active element but with different coordination chemistries in alkaline aqueous system. The adoption of the same redox-active element largely alleviates the challenging problem of cross-contamination of metal ions in RFBs that use two redox-active elements. An all-soluble all-iron RFB is constructed by combining an iron–triethanolamine redox pair (i.e., [Fe(TEOA)OH] –/[Fe(TEOA)(OH)] 2–) andmore » an iron–cyanide redox pair (i.e., Fe(CN) 6 3–/Fe(CN) 6 4–), creating 1.34 V of formal cell voltage. Furthermore, good performance and stability have been demonstrated, after addressing some challenges, including the crossover of the ligand agent. As exemplified by the all-soluble all-iron flow battery, combining redox pairs of the same redox-active element with different coordination chemistries could extend the spectrum of RFBs.« less

Abundance patterns of the light neutron-capture elements in very and extremely metal-poor stars

NASA Astrophysics Data System (ADS)

Spite, F.; Spite, M.; Barbuy, B.; Bonifacio, P.; Caffau, E.; François, P.

2018-03-01

Aims: The abundance patterns of the neutron-capture elements in metal-poor stars provide a unique record of the nucleosynthesis products of the earlier massive primitive objects. Methods: We measured new abundances of so-called light neutron-capture of first peak elements using local thermodynamic equilibrium (LTE) 1D analysis; this analysis resulted in a sample of 11 very metal-poor stars, from [Fe/H] = -2.5 to [Fe/H] = -3.4, and one carbon-rich star, CS 22949-037 with [Fe/H] = -4.0. The abundances were compared to those observed in two classical metal-poor stars: the typical r-rich star CS 31082-001 ([Eu/Fe] > +1.0) and the r-poor star HD 122563 ([Eu/Fe] < 0.0), which are known to present a strong enrichment of the first peak neutron-capture elements relative to the second peak. Results: Within the first peak, the abundances are well correlated in analogy to the well-known correlation inside the abundances of the second-peak elements. In contrast, there is no correlation between any first peak element with any second peak element. We show that the scatter of the ratio of the first peak abundance over second peak abundance increases when the mean abundance of the second peak elements decreases from r-rich to r-poor stars. We found two new r-poor stars that are very similar to HD 122563. A third r-poor star, CS 22897-008, is even more extreme; this star shows the most extreme example of first peak elements enrichment to date. On the contrary, another r-poor star (BD-18 5550) has a pattern of first peak elements that is similar to the typical r-rich stars CS 31082-001, however this star has some Mo enrichment. Conclusions: The distribution of the neutron-capture elements in our very metal-poor stars can be understood as the combination of at least two mechanisms: one that enriches the forming stars cloud homogeneously through the main r-process and leads to an element pattern similar to the r-rich stars, such as CS 31082-001; and another that forms mainly lighter, first peak elements. Based on observations collected at the European Organisation for Astronomical Research in the Southern Hemisphere under ESO programme 165.N-0276(A), (PI R.Cayrel).

Geochemical features of sulfides from the Deyin-1 hydrothermal field at the southern Mid-Atlantic Ridge near 15°S

NASA Astrophysics Data System (ADS)

Wang, Shujie; Li, Huaiming; Zhai, Shikui; Yu, Zenghui; Cai, Zongwei

2017-12-01

In this study, geochemical compositions of elements in sulfide samples collected from the Deyin-1 hydrothermal field near the 15°S southern Mid-Atlantic Ridge (SMAR) were analyzed by the X-ray fluorescence spectrometry (XRF) and inductively coupled plasma mass spectrometry (ICP-MS) to examine the enrichment regulations of ore-forming elements and hydrothermal mineralization. These sulfide precipitates can be classified macroscopically into three types: Fe-rich sulfide, Fe-Cu-rich sulfide and Fe-Zn-rich sulfide, and are characterized by the enrichment of base metal elements along with a sequence of Fe>Zn>Cu. Compared with sulfides from other hydrothermal fields on MAR, Zn concentrations of sulfides in the research area are significantly high, while Cu concentrations are relatively low. For all major, trace or rare-earth elements (REE), their concentrations and related characteristic parameters exhibit significant variations (up to one or two orders of magnitude), which indicates the sulfides from different hydrothermal vents or even a same station were formed at different stages of hydrothermal mineralization, and suggests the variations of chemical compositions of the hydrothermal fluid with respect to time. The hydrothermal temperatures of sulfides precipitation decreased gradually from station TVG10 (st.TVG10) to st.TVG12, and to st.TVG11, indicating that the precipitation of hydrothermal sulfides is subjected to conditions changed from high temperature to low temperature, and that the hydrothermal activity of study area was at the late stage of a general trend of evolution from strong to weak. The abnormally low concentrations of REE in sulfides and their similar chondrite-normalized REE patterns show that REEs in all sulfides were derived from a same source, but underwent different processes of migration or enrichment, or sulfides were formed at different stages of hydrothermal mineralization. The sulfides collected from the active hydrothermal vent were mainly attributed to precipitating directly from the hydrothermal fluid, while those collected from the extinct hydrothermal chimney might have already been altered by the seawater. Generally, ore-forming elements in the sulfides can be divided into three groups: Fe-based element group, Cu-based element group and Zn-based element group. The first group includes Fe, Mn, Cr, Mo, Sn, Rb and bio-enriching elements, such as P and Si, reflecting the similar characteristics to Fe in the study area. And the second group contains Cu, W, Co, Se, Te and Bi, suggesting the similar behavior with Cu. Moreover, the third group includes Zn, Hf, Hg, Cd, Ta, Ga, Pb, As, Ag, Ni and Sb, which indicates the geochemical characteristics of most dispersed trace elements controlled by Zn-bearing minerals to some extent.

Fe-FeO and Fe-Fe3C melting relations at Earth's core-mantle boundary conditions: Implications for a volatile-rich or oxygen-rich core

NASA Astrophysics Data System (ADS)

Morard, G.; Andrault, D.; Antonangeli, D.; Nakajima, Y.; Auzende, A. L.; Boulard, E.; Cervera, S.; Clark, A.; Lord, O. T.; Siebert, J.; Svitlyk, V.; Garbarino, G.; Mezouar, M.

2017-09-01

Eutectic melting temperatures in the Fe-FeO and Fe-Fe3C systems have been determined up to 150 GPa. Melting criteria include observation of a diffuse scattering signal by in situ X-Ray diffraction, and textural characterisation of recovered samples. In addition, compositions of eutectic liquids have been established by combining in situ Rietveld analyses with ex situ chemical analyses. Gathering these new results together with previous reports on Fe-S and Fe-Si systems allow us to discuss the specific effect of each light element (Si, S, O, C) on the melting properties of the outer core. Crystallization temperatures of Si-rich core compositional models are too high to be compatible with the absence of extensive mantle melting at the core-mantle boundary (CMB) and significant amounts of volatile elements such as S and/or C (>5 at%, corresponding to >2 wt%), or a large amount of O (>15 at% corresponding to ∼5 wt%) are required to reduce the crystallisation temperature of the core material below that of a peridotitic lower mantle.

Arsenopyrite and pyrite bioleaching: evidence from XPS, XRD and ICP techniques.

PubMed

Fantauzzi, Marzia; Licheri, Cristina; Atzei, Davide; Loi, Giovanni; Elsener, Bernhard; Rossi, Giovanni; Rossi, Antonella

2011-10-01

In this work, a multi-technical bulk and surface analytical approach was used to investigate the bioleaching of a pyrite and arsenopyrite flotation concentrate with a mixed microflora mainly consisting of Acidithiobacillus ferrooxidans. X-ray diffraction, X-ray photoelectron spectroscopy (XPS) and X-ray-induced Auger electron spectroscopy mineral surfaces investigations, along with inductively coupled plasma-atomic emission spectroscopy and carbon, hydrogen, nitrogen and sulphur determination (CHNS) analyses, were carried out prior and after bioleaching. The flotation concentrate was a mixture of pyrite (FeS(2)) and arsenopyrite (FeAsS); after bioleaching, 95% of the initial content of pyrite and 85% of arsenopyrite were dissolved. The chemical state of the main elements (Fe, As and S) at the surface of the bioreactor feed particles and of the residue after bioleaching was investigated by X-ray photoelectron and X-ray excited Auger electron spectroscopy. After bioleaching, no signals of iron, arsenic and sulphur originating from pyrite and arsenopyrite were detected, confirming a strong oxidation and the dissolution of the particles. On the surfaces of the mineral residue particles, elemental sulphur as reaction intermediate of the leaching process and precipitated secondary phases (Fe-OOH and jarosite), together with adsorbed arsenates, was detected. Evidence of microbial cells adhesion at mineral surfaces was also produced: carbon and nitrogen were revealed by CHNS, and nitrogen was also detected on the bioleached surfaces by XPS. This was attributed to the deposition, on the mineral surfaces, of the remnants of a bio-film consisting of an extra-cellular polymer layer that had favoured the bacterial action. © Springer-Verlag 2011

Automation of a DXA-based finite element tool for clinical assessment of hip fracture risk.

PubMed

Luo, Yunhua; Ahmed, Sharif; Leslie, William D

2018-03-01

Finite element analysis of medical images is a promising tool for assessing hip fracture risk. Although a number of finite element models have been developed for this purpose, none of them have been routinely used in clinic. The main reason is that the computer programs that implement the finite element models have not been completely automated, and heavy training is required before clinicians can effectively use them. By using information embedded in clinical dual energy X-ray absorptiometry (DXA), we completely automated a DXA-based finite element (FE) model that we previously developed for predicting hip fracture risk. The automated FE tool can be run as a standalone computer program with the subject's raw hip DXA image as input. The automated FE tool had greatly improved short-term precision compared with the semi-automated version. To validate the automated FE tool, a clinical cohort consisting of 100 prior hip fracture cases and 300 matched controls was obtained from a local community clinical center. Both the automated FE tool and femoral bone mineral density (BMD) were applied to discriminate the fracture cases from the controls. Femoral BMD is the gold standard reference recommended by the World Health Organization for screening osteoporosis and for assessing hip fracture risk. The accuracy was measured by the area under ROC curve (AUC) and odds ratio (OR). Compared with femoral BMD (AUC = 0.71, OR = 2.07), the automated FE tool had a considerably improved accuracy (AUC = 0.78, OR = 2.61 at the trochanter). This work made a large step toward applying our DXA-based FE model as a routine clinical tool for the assessment of hip fracture risk. Furthermore, the automated computer program can be embedded into a web-site as an internet application. Copyright © 2017 Elsevier B.V. All rights reserved.

Preparation of Mo-Re-C samples containing Mo{sub 7}Re{sub 13}C with the β-Mn-type structure by solid state reaction of planetary-ball-milled powder mixtures of Mo, Re and C, and their crystal structures and superconductivity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oh-ishi, Katsuyoshi, E-mail: oh-ishi@kc.chuo-u.ac.jp; Nagumo, Kenta; Tateishi, Kazuya

Mo-Re-C compounds containing Mo{sub 7}Re{sub 13}C with the β-Mn structure were synthesized with high-melting-temperature metals Mo, Re, and C powders using a conventional solid state method with a planetary ball milling machine instead of the arc melting method. Use of the ball milling machine was necessary to obtain Mo{sub 7}Re{sub 13}C with the β-Mn structure using the solid state method. Almost single-phase Mo{sub 7}Re{sub 13}C with a trace of impurity were obtained using the synthesis method. By XRF and lattice parameter measurements on the samples, Fe element existed in the compound synthesized using the planetary ball milling machine with amore » pot and balls made of steel, though Fe element was not detected in the compound synthesized using a pot and balls made of tungsten carbide. The former compound containg the Fe atom did not show superconductivity but the latter compound without the Fe atom showed superconductivity at 6.1 K. - Graphical abstract: Temperature dependence of the magnetic susceptibility measured under 10 Oe for the superconducting PBM-T samples without Fe element and non-superconducting PBM-S with Fe element. The inset is the enlarged view of the data for the PBM-S sample.« less

Comparing geological and statistical approaches for element selection in sediment tracing research

NASA Astrophysics Data System (ADS)

Laceby, J. Patrick; McMahon, Joe; Evrard, Olivier; Olley, Jon

2015-04-01

Elevated suspended sediment loads reduce reservoir capacity and significantly increase the cost of operating water treatment infrastructure, making the management of sediment supply to reservoirs of increasingly importance. Sediment fingerprinting techniques can be used to determine the relative contributions of different sources of sediment accumulating in reservoirs. The objective of this research is to compare geological and statistical approaches to element selection for sediment fingerprinting modelling. Time-integrated samplers (n=45) were used to obtain source samples from four major subcatchments flowing into the Baroon Pocket Dam in South East Queensland, Australia. The geochemistry of potential sources were compared to the geochemistry of sediment cores (n=12) sampled in the reservoir. The geochemical approach selected elements for modelling that provided expected, observed and statistical discrimination between sediment sources. Two statistical approaches selected elements for modelling with the Kruskal-Wallis H-test and Discriminatory Function Analysis (DFA). In particular, two different significance levels (0.05 & 0.35) for the DFA were included to investigate the importance of element selection on modelling results. A distribution model determined the relative contributions of different sources to sediment sampled in the Baroon Pocket Dam. Elemental discrimination was expected between one subcatchment (Obi Obi Creek) and the remaining subcatchments (Lexys, Falls and Bridge Creek). Six major elements were expected to provide discrimination. Of these six, only Fe2O3 and SiO2 provided expected, observed and statistical discrimination. Modelling results with this geological approach indicated 36% (+/- 9%) of sediment sampled in the reservoir cores were from mafic-derived sources and 64% (+/- 9%) were from felsic-derived sources. The geological and the first statistical approach (DFA0.05) differed by only 1% (σ 5%) for 5 out of 6 model groupings with only the Lexys Creek modelling results differing significantly (35%). The statistical model with expanded elemental selection (DFA0.35) differed from the geological model by an average of 30% for all 6 models. Elemental selection for sediment fingerprinting therefore has the potential to impact modeling results. Accordingly is important to incorporate both robust geological and statistical approaches when selecting elements for sediment fingerprinting. For the Baroon Pocket Dam, management should focus on reducing the supply of sediments derived from felsic sources in each of the subcatchments.

Elemental concentration analysis in brain structures from young, adult and old Wistar rats by total reflection X-ray fluorescence with synchrotron radiation

NASA Astrophysics Data System (ADS)

Serpa, R. F. B.; de Jesus, E. F. O.; Anjos, M. J.; do Carmo, M. G. T.; Moreira, S.; Rocha, M. S.; Martinez, A. M. B.; Lopes, R. T.

2006-11-01

The knowledge of the spatial distribution and the local concentration of trace elements in tissues are of great importance since trace elements are involved in a number of metabolic and physiological processes in the human body, and their deficiency and excess may lead to different metabolic disorders. In this way, the main goal of this work is to compare the elemental concentration in different brain structures, namely temporal cortex, entorhinal cortex, visual cortex and hippocampus, from Wistar female rats ( n = 15) with different ages: 2, 8 and 48 weeks. The measurements were performed at the Synchrotron Light Brazilian Laboratory, Campinas, São Paulo, Brazil. In the entorhinal cortex, the following elements decreased with age: Zn, S, Cl, K, Ca and Br. In the temporal cortex, Ca, Fe and Br levels increased with aging and on the other hand, P, S, Cl, K and Rb levels decreased with aging. In the visual cortex almost all the elements decreased with aging: Cl, Ca, Fe, Ni and Zn. In the hippocampus, in turn, most of the elements identified, increased with aging: Al, P, S, K, Fe, Cu, Zn and Rb. The increase of Fe with aging in the hippocampus is an important fact that will be studied, since it is involved in oxidative stress. It is believed that oxidative stress is the one of the main causes responsible for neuronal death in Parkinson's disease.

In vitro degradation and biocompatibility of Fe-Pd and Fe-Pt composites fabricated by spark plasma sintering.

PubMed

Huang, T; Cheng, J; Zheng, Y F

2014-02-01

In order to obtain biodegradable Fe-based materials with similar mechanical properties as 316L stainless steel and faster degradation rate than pure iron, Fe-5 wt.%Pd and Fe-5 wt.%Pt composites were prepared by spark plasma sintering with powders of pure Fe and Pd/Pt, respectively. The grain size of Fe-5 wt.%Pd and Fe-5 wt.%Pt composites was much smaller than that of as-cast pure iron. The metallic elements Pd and Pt were uniformly distributed in the matrix and the mechanical properties of these materials were improved. Uniform corrosion of Fe-Pd and Fe-Pt composites was observed in both electrochemical tests and immersion tests, and the degradation rates of Fe-Pd and Fe-Pt composites were much faster than that of pure iron. It was found that viabilities of mouse fibroblast L-929 cells and human umbilical vein endothelial cells (ECV304) cultured in extraction mediums of Fe-Pd and Fe-Pt composites were close to that of pure iron. After 4 days' culture, the viabilities of L-929 and ECV304 cells in extraction medium of experimental materials were about 80%. The result of direct contact cytotoxicity also indicated that experimental materials exhibited no inhibition on vascular endothelial process. Meanwhile, iron ions released from experimental materials could inhibit proliferation of vascular smooth muscle cells (VSMC), which may be beneficial for hindering vascular restenosis. Furthermore, compared with that of as-cast pure iron, the hemolysis rates of Fe-Pd and Fe-Pt composites were slightly higher, but still within the range of 5%, which is the criteria for good blood compatibility. The numbers of platelet adhered on the surface of Fe-Pd and Fe-Pt composites were lower than that of pure iron, and the morphology of platelets kept spherical. To sum up, the Fe-5 wt.%Pd and Fe-5 wt.%Pt composites exhibited good mechanical properties and degradation behavior, closely approaching the requirements for biodegradable metallic stents. © 2013.

Analysis of laser induced plasma of lithium iron phosphate/LiFePO4 using Nd:YAG laser at low pressure

NASA Astrophysics Data System (ADS)

Suliyanti, M. M.; Hidayah, A. N.; Isnaeni

2017-04-01

Preliminary analysis of lithium in Lithium Iron Phosphate (LiFePO4) powder using laser induced plasma spectroscopy at low pressure had been done. Recently, LiFePO4-based batteries are widely used in most electric cars and bikes due to less toxic. However, lithium (Li) element is very difficult to detect since it is a very light element. In this work, we used a Nd:YAG laser (1064 nm wavelength, 5 ns pulse width at 10 Hz repetition rate) that was focused on LiFePO4 sample at low pressure. The main Li peak emission in LiFePO4 powder and sheet can be easily detected using this technique. We report the results of experimental study on Li element emission lines at wavelength 460.18 nm, 610.37 nm and 670.83 nm using 2 mJ and 12 mJ laser irradiation at 5 Torr and 35 Torr air atmosphere. The results of this study showed promising application of laser-induced plasma spectroscopy to detect and analyse Li in various samples.

Ternary NiFeX as soft biasing film in a magnetoresistive sensor

NASA Astrophysics Data System (ADS)

Chen, Mao-Min; Gharsallah, Neila; Gorman, Grace L.; Latimer, Jacquie

1991-04-01

The properties of NiFeX ternary films (X being Al, Au, Nb, Pd, Pt, Si, and Zr) have been studied for soft-film biasing of the magnetoresistive (MR) trilayer sensor. In general, the addition of the element X into the NiFe alloy film decreases the saturation magnetization Bs and magnetoresistance coefficient of the film, while increasing the film's electrical resistivity ρ. One of the desirable properties of a soft film for biasing is high sheet resistance for minimum current flow. A figure of merit Bsρ that takes into account both the rate of increase in Bs and the rate of decrease in ρ when adding X element was derived to compare the effectiveness of various X elements in reducing the current shunting through the soft-film layer. Using this criterion, NiFeNb and NiFeZr emerge as good soft-film materials having a maximum sheet resistance relative to the MR layer. Other critical properties such as magnetoresistance coefficient, magnetostriction, coercivity, and anisotropy field were also examined and are discussed in this paper.

Effects of trace element addition on process stability during anaerobic co-digestion of OFMSW and slaughterhouse waste.

PubMed

Moestedt, J; Nordell, E; Shakeri Yekta, S; Lundgren, J; Martí, M; Sundberg, C; Ejlertsson, J; Svensson, B H; Björn, A

2016-01-01

This study used semi-continuous laboratory scale biogas reactors to simulate the effects of trace-element addition in different combinations, while degrading the organic fraction of municipal solid waste and slaughterhouse waste. The results show that the combined addition of Fe, Co and Ni was superior to the addition of only Fe, Fe and Co or Fe and Ni. However, the addition of only Fe resulted in a more stable process than the combined addition of Fe and Co, perhaps indicating a too efficient acidogenesis and/or homoacetogenesis in relation to a Ni-deprived methanogenic population. The results were observed in terms of higher biogas production (+9%), biogas production rates (+35%) and reduced VFA concentration for combined addition compared to only Fe and Ni. The higher stability was supported by observations of differences in viscosity, intraday VFA- and biogas kinetics as well as by the 16S rRNA gene and 16S rRNA of the methanogens. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

An attempt to diagnose cancer by PIXE

NASA Astrophysics Data System (ADS)

Uda, M.; Maeda, K.; Sasa, Y.; Kusuyama, H.; Yokode, Y.

1987-03-01

PIXE is suitable especially for trace elemental analysis for atoms with high atomic numbers, which are contained in matrices composed mainly of light elements such as biological materials. An attempt has been made to distinguish elemental concentrations of cancer tissues from those of normal ones. Kidney, testis and urinary bladder cancer tissues were examined by PIXE. Key elements to diagnose these cancers were Ca, Ti, Cr, Fe and Zn. Enrichment of Fe and Ti, and deficiency of Zn could be seen in the kidney cancer. An opposite tendency was observed in the testicular cancer. Imbalance of these elemental concentrations in characteristic organs might give us a possibility for cancer diagnosis.

Diatom Proteomics Reveals Unique Acclimation Strategies to Mitigate Fe Limitation

PubMed Central

Nunn, Brook L.; Faux, Jessica F.; Hippmann, Anna A.; Maldonado, Maria T.; Harvey, H. Rodger; Goodlett, David R.; Boyd, Philip W.; Strzepek, Robert F.

2013-01-01

Phytoplankton growth rates are limited by the supply of iron (Fe) in approximately one third of the open ocean, with major implications for carbon dioxide sequestration and carbon (C) biogeochemistry. To date, understanding how alteration of Fe supply changes phytoplankton physiology has focused on traditional metrics such as growth rate, elemental composition, and biophysical measurements such as photosynthetic competence (Fv/Fm). Researchers have subsequently employed transcriptomics to probe relationships between changes in Fe supply and phytoplankton physiology. Recently, studies have investigated longer-term (i.e. following acclimation) responses of phytoplankton to various Fe conditions. In the present study, the coastal diatom, Thalassiosira pseudonana, was acclimated (10 generations) to either low or high Fe conditions, i.e. Fe-limiting and Fe-replete. Quantitative proteomics and a newly developed proteomic profiling technique that identifies low abundance proteins were employed to examine the full complement of expressed proteins and consequently the metabolic pathways utilized by the diatom under the two Fe conditions. A total of 1850 proteins were confidently identified, nearly tripling previous identifications made from differential expression in diatoms. Given sufficient time to acclimate to Fe limitation, T. pseudonana up-regulates proteins involved in pathways associated with intracellular protein recycling, thereby decreasing dependence on extracellular nitrogen (N), C and Fe. The relative increase in the abundance of photorespiration and pentose phosphate pathway proteins reveal novel metabolic shifts, which create substrates that could support other well-established physiological responses, such as heavily silicified frustules observed for Fe-limited diatoms. Here, we discovered that proteins and hence pathways observed to be down-regulated in short-term Fe starvation studies are constitutively expressed when T. pseudonana is acclimated (i.e., nitrate and nitrite transporters, Photosystem II and Photosystem I complexes). Acclimation of the diatom to the desired Fe conditions and the comprehensive proteomic approach provides a more robust interpretation of this dynamic proteome than previous studies. PMID:24146769

Influence of trace elements mixture on bacterial diversity and fermentation characteristics of liquid diet fermented with probiotics under air-tight condition.

PubMed

He, Yuyong; Chen, Zhiyu; Liu, Xiaolan; Wang, Chengwei; Lu, Wei

2014-01-01

Cu2+, Zn2+, Fe2+ and I- are often supplemented to the diet of suckling and early weaning piglets, but little information is available regarding the effects of different Cu2+, Zn2+, Fe2+ and I- mixtures on bacteria growth, diversity and fermentation characteristics of fermented liquid diet for piglets. Pyrosequencing was performed to investigate the effect of Cu2+, Zn2+, Fe2+ and I- mixtures on the diversity, growth and fermentation characteristics of bacteria in the liquid diet fermented with Bacillus subtilis and Enterococcus faecalis under air-tight condition. Results showed that the mixtures of Cu2+, Zn2+, Fe2+ and I- at different concentrations promoted Bacillus growth, increased bacterial diversity and lactic acid production and lowered pH to about 5. The importance of Cu2+, Zn2+, Fe2+ and I- is different for Bacillus growth with the order Zn2+> Fe2+>Cu2+> I- in a 21-d fermentation and Cu2+>I->Fe2+>Zn2+ in a 42-d fermentation. Cu2+, Zn2+, Fe2+ and I- is recommended at a level of 150, 60, 150 and 0.6 mg/kg respectively for the production of fermented liquid diet with Bacillus subtilis. The findings improve our understanding of the influence of trace elements on liquid diet fermentation with probiotics and support the proper use of trace elements in the production of fermented liquid diet for piglets.

The Effect of Alloying Elements on Thermal Conductivity and Casting Characteristic in High Pressure Die Casting of Aluminum Alloy

NASA Astrophysics Data System (ADS)

Kim, Cheol-Woo; Cho, Jae-Ik; Choi, Se-Weon; Kim, Young-Chan; Kang, Chang-Seog

Recently, demand of aluminum alloys for use in high thermal conductivity application is increases but the most aluminum die casting alloys exhibit very lower thermal properties because of their high concentrations of alloying elements. However, those alloying elements are essential to obtain sufficient fluidity and mechanical strength. Therefore, the purpose of this study is to analyze the effect of alloying elements in die casting alloys, Si, Cu, Mg, Fe and Mn, in thermal conductivity, die casting characteristics and mechanical properties and find out the appropriate amount of each alloying element for development of heat sink component. The results showed that Mn had the most deleterious effect in thermal conductivity and Si and Fe contents were important to improve strength and limit casting defects, such as hot tearing and die soldering. The alloy with 0.2 1.0wt%Cu, 0.3 0.6wt%Fe and 1.0 2.0wt%Si showed very good combination of high thermal conductivity and good casting characteristics.

Effect of Silicon on Activity Coefficients of Platinum in Liquid Fe-Si, With Application to Core Formation

NASA Technical Reports Server (NTRS)

Righter, K.; Pando, K.; Danielson, L. R.; Humayun, M.

2017-01-01

Earth's core contains approximately 10% of a light element that is likely a combination of S, C, Si, and O, with Si possibly being the most abundant light element. Si dissolved into Fe liquids can have a large effect on the magnitude of the activity coefficient of siderophile elements (SE) in Fe liquids, and thus the partitioning behavior of those elements between core and mantle. The effect of Si can be small such as for Ni and Co, or large such as for Mo, Ge, Sb, As. The effect of Si on many siderophile elements is unknown yet could be an important, and as yet unquantified, influence on the core-mantle partitioning of SE. Here we report new experiments designed to quantify the effect of Si on the partitioning of Pt (with Re and Ru in progress or planned) between metal and silicate melt. The results will be applied to Earth, for which we have excellent constraints on the mantle Pt concentrations.

A baseline study on the concentration of trace elements in the surface sediments off Southwest coast of Tamil Nadu, India.

PubMed

Godson, Prince S; Magesh, N S; Peter, T Simon; Chandrasekar, N; Krishnakumar, S; Vincent, Salom Gnana Thanga

2018-01-01

Forty two surface sediment samples were collected in order to document baseline elemental concentration along the Southwest coast of Tamil Nadu, India. The elements detected were Manganese (Mn), Zinc (Zn), Iron (Fe), Copper (Cu), Nickel (Ni) and Lead (Pb). The concentration of Fe and Mn was primarily controlled by the riverine input. The source of Pb and Zn is attributed to leaded petrol and anti-biofouling paints. The calculated index (EF, Igeo and CF) suggests that the sediments of the study area are significantly enriched with all elements except Pb. The contamination factor showed the order of Mn>Zn>Fe>Cu>Ni>Pb. The sediment pollution index (SPI) revealed that the sediments belonged to low polluted to dangerous category. The correlation matrix and dendrogram showed that the elemental distribution was chiefly controlled by riverine input as well as anthropogenic activity in the coast. Copyright © 2017 Elsevier Ltd. All rights reserved.

Dissociation of a ferric maltol complex and its subsequent metabolism during absorption across the small intestine of the rat.

PubMed Central

Barrand, M. A.; Callingham, B. A.; Dobbin, P.; Hider, R. C.

1991-01-01

1. The fate and disposition of [59Fe]-ferric [3H]-maltol after intravenous administration were investigated in anaesthetized rats. Immediate dissociation of ferric iron from maltol took place in the circulation even with high doses of ferric maltol (containing 1 mg elemental iron). In plasma samples withdrawn within 1 min of injection and subjected to gel filtration, 59Fe eluted with the high molecular weight proteins whilst the tritium was associated with low molecular weight material. 2. The rates of elimination of 59Fe and of tritium from the plasma and their ultimate fate were very different. The half life for 59Fe in the plasma was around 70 min and 59Fe appeared mainly in the bone marrow and liver. There was an initial rapid exit of tritium from the plasma with a half life of around 12 min. This was followed either by a plateau or by a rise in tritium levels, involving entry of maltol metabolites into the circulation. These metabolites could be recovered in the urine. 3. Entry of 59Fe and of tritium into the blood plasma after intraduodenal administration of [59Fe]-ferric [3H]-maltol was also very different. At low doses of ferric maltol (containing 100 micrograms elemental iron), the tritium appeared in the plasma in highest amounts within seconds and then decreased whilst there was a slow rise in 59Fe levels. At higher doses of ferric maltol (containing 7 mg elemental iron), levels of 59Fe in the plasma were highest at 5 min and then fell whereas tritium levels rose steadily. Mucosal processing of 59Fe prevented further entry of iron at high dose into the circulation.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:1364845

Multi-layered bird beaks: a finite-element approach towards the role of keratin in stress dissipation

PubMed Central

Soons, Joris; Herrel, Anthony; Genbrugge, Annelies; Adriaens, Dominique; Aerts, Peter; Dirckx, Joris

2012-01-01

Bird beaks are layered structures, which contain a bony core and an outer keratin layer. The elastic moduli of this bone and keratin were obtained in a previous study. However, the mechanical role and interaction of both materials in stress dissipation during seed crushing remain unknown. In this paper, a multi-layered finite-element (FE) model of the Java finch's upper beak (Padda oryzivora) is established. Validation measurements are conducted using in vivo bite forces and by comparing the displacements with those obtained by digital speckle pattern interferometry. Next, the Young modulus of bone and keratin in this FE model was optimized in order to obtain the smallest peak von Mises stress in the upper beak. To do so, we created a surrogate model, which also allows us to study the impact of changing material properties of both tissues on the peak stresses. The theoretically best values for both moduli in the Java finch are retrieved and correspond well with previous experimentally obtained values, suggesting that material properties are tuned to the mechanical demands imposed during seed crushing. PMID:22337628

Comparison of Analytical Methods for the Determination of Uranium in Seawater Using Inductively Coupled Plasma Mass Spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wood, Jordana R.; Gill, Gary A.; Kuo, Li-Jung

2016-04-20

Trace element determinations in seawater by inductively coupled plasma mass spectrometry are analytically challenging due to the typically very low concentrations of the trace elements and the potential interference of the salt matrix. In this study, we did a comparison for uranium analysis using inductively coupled plasma mass spectrometry (ICP-MS) of Sequim Bay seawater samples and three seawater certified reference materials (SLEW-3, CASS-5 and NASS-6) using seven different analytical approaches. The methods evaluated include: direct analysis, Fe/Pd reductive precipitation, standard addition calibration, online automated dilution using an external calibration with and without matrix matching, and online automated pre-concentration. The methodmore » which produced the most accurate results was the method of standard addition calibration, recovering uranium from a Sequim Bay seawater sample at 101 ± 1.2%. The on-line preconcentration method and the automated dilution with matrix-matched calibration method also performed well. The two least effective methods were the direct analysis and the Fe/Pd reductive precipitation using sodium borohydride« less

Iron Isotope Systematics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dauphas, Nicolas; John, Seth G.; Rouxel, Olivier

Iron is a ubiquitous element with a rich (i.e., complex) chemical behavior. It possesses three oxidation states, metallic iron (Fe0), ferrous iron (Fe2+) and ferric iron (Fe3+). The distribution of these oxidation states is markedly stratified in the Earth.

Light, alpha, and Fe-peak element abundances in the galactic bulge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Christian I.; Rich, R. Michael; Kobayashi, Chiaki

2014-10-01

We present radial velocities and chemical abundances of O, Na, Mg, Al, Si, Ca, Cr, Fe, Co, Ni, and Cu for a sample of 156 red giant branch stars in two Galactic bulge fields centered near (l, b) = (+5.25,–3.02) and (0,–12). The (+5.25,–3.02) field also includes observations of the bulge globular cluster NGC 6553. The results are based on high-resolution (R ∼ 20,000), high signal-to-noise ration (S/N ≳ 70) FLAMES-GIRAFFE spectra obtained through the European Southern Observatory archive. However, we only selected a subset of the original observations that included spectra with both high S/N and that did notmore » show strong TiO absorption bands. This work extends previous analyses of this data set beyond Fe and the α-elements Mg, Si, Ca, and Ti. While we find reasonable agreement with past work, the data presented here indicate that the bulge may exhibit a different chemical composition than the local thick disk, especially at [Fe/H] ≳ –0.5. In particular, the bulge [α/Fe] ratios may remain enhanced to a slightly higher [Fe/H] than the thick disk, and the Fe-peak elements Co, Ni, and Cu appear enhanced compared to the disk. There is also some evidence that the [Na/Fe] (but not [Al/Fe]) trends between the bulge and local disk may be different at low and high metallicity. We also find that the velocity dispersion decreases as a function of increasing [Fe/H] for both fields, and do not detect any significant cold, high-velocity populations. A comparison with chemical enrichment models indicates that a significant fraction of hypernovae may be required to explain the bulge abundance trends, and that initial mass functions that are steep, top-heavy (and do not include strong outflow), or truncated to avoid including contributions from stars >40 M {sub ☉} are ruled out, in particular because of disagreement with the Fe-peak abundance data. For most elements, the NGC 6553 stars exhibit abundance trends nearly identical to comparable metallicity bulge field stars. However, the star-to-star scatter and mean [Na/Fe] ratios appear higher in the cluster, perhaps indicating additional self-enrichment.« less

Geographical traceability of virgin olive oils from south-western Spain by their multi-elemental composition.

PubMed

Beltrán, María; Sánchez-Astudillo, María; Aparicio, Ramón; García-González, Diego L

2015-02-15

The geographical traceability of virgin olive oil can be controlled by chemical species that are linked to the production area. Trace elements are among these species. The hypothesis is that the transfer of elements from the soil to the oil is subjected to minor variations and therefore this chemical information can be used for geographical traceability. In order to confirm this hypothesis, the trace elements of virgin olive oils from south-western Spain were analysed, and the same elements were determined in the corresponding olive-pomaces and soils. The differences in the concentration were studied according to cultivars and locations. Results show some coincidences in the selection of elements in soils (W, Fe, Na), olive-pomace (W, Fe, Na, Mg, Mn, Ca, Ba, Li) and olive oils (W, Fe, Mg, Mn, Ca, Ba, Li, Bi), which supports their utility in traceability. In the case of olive oils, 93% of the samples were correctly classified in their geographical origins (96% for Beas, 77% for Gibraleón, 91% for Niebla, and 100% for Sanlúcar de Guadiana). Copyright © 2014 Elsevier Ltd. All rights reserved.

Evolution of trace elements in the planetary boundary layer in southern China: Effects of dust storms and aerosol-cloud interactions

NASA Astrophysics Data System (ADS)

Li, Tao; Wang, Yan; Zhou, Jie; Wang, Tao; Ding, Aijun; Nie, Wei; Xue, Likun; Wang, Xinfeng; Wang, Wenxing

2017-03-01

Aerosols and cloud water were analyzed at a mountaintop in the planetary boundary layer in southern China during March-May 2009, when two Asian dust storms occurred, to investigate the effects of aerosol-cloud interactions (ACIs) on chemical evolution of atmospheric trace elements. Fe, Al, and Zn predominated in both coarse and fine aerosols, followed by high concentrations of toxic Pb, As, and Cd. Most of these aerosol trace elements, which were affected by dust storms, exhibited various increases in concentrations but consistent decreases in solubility. Zn, Fe, Al, and Pb were the most abundant trace elements in cloud water. The trace element concentrations exhibited logarithmic inverse relationships with the cloud liquid water content and were found highly pH dependent with minimum concentrations at the threshold of pH 5.0. The calculation of Visual MINTEQ model showed that 80.7-96.3% of Fe(II), Zn(II), Pb(II), and Cu(II) existed in divalent free ions, while 71.7% of Fe(III) and 71.5% of Al(III) were complexed by oxalate and fluoride, respectively. ACIs could markedly change the speciation distributions of trace elements in cloud water by pH modification. The in-cloud scavenging of aerosol trace elements likely reached a peak after the first 2-3 h of cloud processing, with scavenging ratios between 0.12 for Cr and 0.57 for Pb. The increases of the trace element solubility (4-33%) were determined in both in-cloud aerosols and postcloud aerosols. These results indicated the significant importance of aerosol-cloud interactions to the evolution of trace elements during the first several cloud condensation/evaporation cycles.

Developing precipitation hardenable high entropy alloys

NASA Astrophysics Data System (ADS)

Gwalani, Bharat

High entropy alloys (HEAs) is a concept wherein alloys are constructed with five or more elements mixed in equal proportions; these are also known as multi-principle elements (MPEs) or complex concentrated alloys (CCAs). This PhD thesis dissertation presents research conducted to develop precipitation-hardenable high entropy alloys using a much-studied fcc-based equi-atomic quaternary alloy (CoCrFeNi). Minor additions of aluminium make the alloy amenable for precipitating ordered intermetallic phases in an fcc matrix. Aluminum also affects grain growth kinetics and Hall-Petch hardenability. The use of a combinatorial approach for assessing composition-microstructure-property relationships in high entropy alloys, or more broadly in complex concentrated alloys; using laser deposited compositionally graded AlxCrCuFeNi 2 (0 < x < 1.5) complex concentrated alloys as a candidate system. The composition gradient has been achieved from CrCuFeNi2 to Al 1.5CrCuFeNi2 over a length of ˜25 mm, deposited using the laser engineered net shaping process from a blend of elemental powders. With increasing Al content, there was a gradual change from an fcc-based microstructure (including the ordered L12 phase) to a bcc-based microstructure (including the ordered B2 phase), accompanied with a progressive increase in microhardness. Based on this combinatorial assessment, two promising fcc-based precipitation strengthened systems have been identified; Al0.3CuCrFeNi2 and Al0.3CoCrFeNi, and both compositions were subsequently thermo-mechanically processed via conventional techniques. The phase stability and mechanical properties of these alloys have been investigated and will be presented. Additionally, the activation energy for grain growth as a function of Al content in these complex alloys has also been investigated. Change in fcc grain growth kinetic was studied as a function of aluminum; the apparent activation energy for grain growth increases by about three times going from Al0.1CoCrFeNi (3% Al (at%)) to Al0.3CoCrFeNi. (7% Al (at%)). Furthermore, Al addition leads to the precipitation of highly refined ordered L12 (gamma') and B2 precipitates in Al0.3CoCrFeNi. A detailed investigation of precipitation of the ordered phases in Al0.3CoCrFeNi and their thermal stability is done using atom probe tomography (APT), transmission electron microscopy (TEM) and Synchrotron X-ray in situ and ex situ analyses. The alloy strengthened via grain boundary strengthening following the Hall-Petch relationship offers a large increment of strength with small variation in grain size. Tensile strength of the Al0.3CoFeNi is increased by 50% on precipitation fine-scale gamma' precipitates. Furthermore, precipitation of bcc based ordered phase B2 in Al0.3CoCrFeNi can further strengthen the alloy. Fine-tuning the microstructure by thermo-mechanical treatments achieved a wide range of mechanical properties in the same alloy. The Al0.3CoCrFeNi HEA exhibited ultimate tensile strength (UTS) of ˜250 MPa and ductility of ˜65%; a UTS of ˜1100 MPa and ductility of ˜30%; and a UTS of 1850 MPa and a ductility of 5% after various thermo-mechanical treatments. Grain sizes, precipitates type and size scales manipulated in the alloy result in different strength ductility combinations. Henceforth, the alloy presents a fertile ground for development by grain boundary strengthening and precipitation strengthening, and offers very high activation energy of grain growth aptly suitable for high-temperature applications.

Modeling and analysis of the spectrum of the globular cluster NGC 2419

NASA Astrophysics Data System (ADS)

Sharina, M. E.; Shimansky, V. V.; Davoust, E.

2013-06-01

The properties of the stellar population of the unusual object NGC 2419 are studied; this is the most distant high-mass globular cluster of the Galaxy's outer halo, and a spectrum taken with the 1.93-m telescope of the Haute Provence Observatory displays elemental abundance anomalies. Since traditional high-resolution spectroscopicmethods are applicable to bright stars only, spectroscopic information for the cluster's stellar population as a whole, integrated along the spectrograph slit placed in various positions, is used. Population synthesis is carried out for the spectrum of NGC 2419 using synthetic spectra calculated from a grid of stellar model atmospheres, based on the theoretical isochrone from the literature that best fits the color-magnitude diagram of the cluster. The derived age (12.6 billion years), metallicity ([Fe/H] = -2.25 dex), and abundances of helium ( Y = 0.26) and other chemical elements (a total of 14) are in a good qualitative agreement with estimates from the literature made from high-resolution spectra of eight red giants in the cluster. The influence on the spectrum of deviations from local thermodynamic equilibrium is considered for several elements. The derived abundance of α-elements ([ α/Fe] = 0.13 dex, as the mean of [O/Fe], [Mg/Fe], and [Ca/Fe]) differs from the mean value in the literature ([ α/Fe] = 0.4 for the eight brightest red giants) and may be explained by recently discovered in NGC2419 large [a/Fe] dispersion. Further studies of the integrated properties of the stellar population in NGC 2419 using higher-resolution spectrographs in various wavelength ranges should help improve our understanding of the cluster's chemical anomalies.

Intrinsic properties and strengthening mechanism of monocrystalline Ni-containing ternary concentrated solid solutions

DOE PAGES

Jin, K.; Gao, Y. F.; Bei, H.

2017-04-07

Ternary single-phase concentrated solid solution alloys (SP-CSAs), so-called "medium entropy alloys", not only possess notable mechanical and physical properties but also form a model system linking the relatively simple binary alloys to the complex high entropy alloys. Our knowledge of their intrinsic properties is vital to understand the material behavior and to prompt future applications. To this end, three model alloys NiCoFe, NiCoCr, and NiFe-20Cr have been selected and grown as single crystals. We measured their elastic constants using an ultrasonic method, and several key materials properties, such as shear modulus, bulk modulus, elastic anisotropy, and Debye temperatures have beenmore » derived. Furthermore, nanoindentation tests have been performed on these three alloys together with Ni, NiCo and NiFe on their (100) surface, to investigate the strengthening mechanisms. NiCoCr has the highest hardness, NiFe, NiCoFe and NiFe-20Cr share a similar hardness that is apparently lower than NiCoCr; NiCo has the lowest hardness in the alloys, which is similar to elemental Ni. The Labusch-type solid solution model has been applied to interpret the nanoindentation data, with two approaches used to calculate the lattice mismatch. Finally, by adopting an interatomic spacing matrix method, the Labusch model can reasonably predict the hardening effects for the whole set of materials.« less

[Determination of Mineral Elements in Choerospondias Axillaris and Its Extractives by ICP-AES].

PubMed

Zhai, Yu-xin; Chen, Jun; Li, Ti; Liu, Ji-yan; Wang, Xie-yi; Cheng, Chao; Liu, Cheng-mei

2015-04-01

Nine elements in Choerospondias axillaris flesh, peels, aqueous extractives and gastric digesta were determined by the inductively coupled plasma atomic emission spectrometry (ICP-AES) in the present study. The results showed that the contents of Fe, Ca, Zn, Mn, Al, Mg, Cu, K and P in the flesh were 27.37, 269.88, 1.51, 2.45, 1.95, 195.30, 2.45, 2,970.11, and 133.94 µg · g(-1), respectively. They are lower than that in the peels, about 40.31%, 11.70%, 21.68%, 4.27%, 10.58%, 15.76%, 68.72%, 42.04%, and 22.59%, respectively. For microwave assistant extraction, the release rate of Mn was highest (81.68%), while Fe was lowest (4.42%) in the flesh. The release rate of Zn was the highest (79.00%), while that of A1 was the lowest (4.94%) in the peels. Except Fe, Cu and Zn, the release rates of the other elements in flesh were higher than those in the peels. After gastric digestion, the release rates of nine elements were 3.25%-87.51% in the flesh and 7.11%-50.69% in the peels. The release rates of minerals in the flesh were found to be higher than those in the peels except Fe and Cu. Microwave assistant extraction can more efficiently release Fe, Ca, Mn, Mg and K from the flesh than the gastric digestion do. While gastric digestion had a significant effect on the peels, the release rates of elements, except Zn, were higher than those in microwave assistant extraction. Therefore, the difference of distribution and release of mineral elements between peels and flesh of Choerospondias axillaris was understood, which will provide a positive guide for further study of bioavailability of minerals for human body.

Finite element strategies to satisfy clinical and engineering requirements in the field of percutaneous valves.

PubMed

Capelli, Claudio; Biglino, Giovanni; Petrini, Lorenza; Migliavacca, Francesco; Cosentino, Daria; Bonhoeffer, Philipp; Taylor, Andrew M; Schievano, Silvia

2012-12-01

Finite element (FE) modelling can be a very resourceful tool in the field of cardiovascular devices. To ensure result reliability, FE models must be validated experimentally against physical data. Their clinical application (e.g., patients' suitability, morphological evaluation) also requires fast simulation process and access to results, while engineering applications need highly accurate results. This study shows how FE models with different mesh discretisations can suit clinical and engineering requirements for studying a novel device designed for percutaneous valve implantation. Following sensitivity analysis and experimental characterisation of the materials, the stent-graft was first studied in a simplified geometry (i.e., compliant cylinder) and validated against in vitro data, and then in a patient-specific implantation site (i.e., distensible right ventricular outflow tract). Different meshing strategies using solid, beam and shell elements were tested. Results showed excellent agreement between computational and experimental data in the simplified implantation site. Beam elements were found to be convenient for clinical applications, providing reliable results in less than one hour in a patient-specific anatomical model. Solid elements remain the FE choice for engineering applications, albeit more computationally expensive (>100 times). This work also showed how information on device mechanical behaviour differs when acquired in a simplified model as opposed to a patient-specific model.

Early-type galaxy archeology: Ages, abundance ratios, and effective temperatures from full-spectrum fitting

DOE Office of Scientific and Technical Information (OSTI.GOV)

Conroy, Charlie; Graves, Genevieve J.; Van Dokkum, Pieter G.

2014-01-01

The stellar populations of galaxies hold vital clues to their formation histories. In this paper we present results based on modeling stacked spectra of early-type galaxies drawn from the Sloan Digital Sky Survey as a function of velocity dispersion, σ, from 90 km s{sup –1} to 300 km s{sup –1}. The spectra are of extremely high quality, with typical signal-to-noise ratio of 1000 Å{sup –1}, and a wavelength coverage of 4000 Å –8800 Å. Our population synthesis model includes variation in 16 elements from C to Ba, a two-component star formation history, the shift in effective temperature, Δ T {submore » eff}, of the stars with respect to a solar metallicity isochrone, and the stellar initial mass function, among other parameters. In our approach we fit the full optical spectra rather than a select number of spectral indices and are able to, for the first time, measure the abundances of the elements V, Cr, Mn, Co, and Ni from the integrated light of distant galaxies. Our main results are as follows: (1) light-weighted stellar ages range from 6-12 Gyr from low to high σ; (2) [Fe/H] varies by less than 0.1 dex across the entire sample; (3) Mg closely tracks O, and both increase from ≈0.0 at low σ to ∼0.25 at high σ; Si and Ti show a shallower rise with σ, and Ca tracks Fe rather than O; (4) the iron peak elements V, Cr, Mn, and Ni track Fe, while Co tracks O, suggesting that Co forms primarily in massive stars; (5) C and N track O over the full sample and [C/Fe] and [N/Fe] exceed 0.2 at high σ; and (6) the variation in Δ T {sub eff} with total metallicity closely follows theoretical predictions based on stellar evolution theory. This last result is significant because it implies that we are robustly solving not only for the detailed abundance patterns but also the detailed temperature distributions (i.e., isochrones) of the stars in these galaxies. A variety of tests reveal that the systematic uncertainties in our measurements are probably 0.05 dex or less. Our derived [Mg/Fe] and [O/Fe] abundance ratios are 0.05-0.1 dex lower than most previous determinations. Under the conventional interpretation that the variation in these ratios is due to star formation timescale variations, our results suggest longer star formation timescales for massive early-type galaxies than previous studies. Detailed chemical evolution models are necessary in order to translate the abundance ratio distributions of these galaxies into constraints on their formation histories. Alternatively, these data may provide useful constraints on the nucleosynthetic pathways for elements whose production is not well understood.« less

The excretion of biotrace elements using the multitracer technique in tumour-bearing mice.

PubMed

Wang, X; Tian, J; Yin, X M; Zhang, X; Wang, Q Z

2000-12-01

A radioactive multitracer solution obtained from the nuclear reaction of selenium with 25 MeV/nucleon 40Ar ions was used for investigation of trace element excretion into the faeces and urine of cancerous mice. The excretion rates of 22 elements (Na, K, Rb, Mg, Ca, Sr, Ga, As, Sc, V, Cr, Mn, Co, Fe, Y, Zr, Mo, Nb, Tc, Ru, Ag and In) were simultaneously measured under strictly identical experimental conditions, in order to clarify the excretion behavior of these elements in cancerous mice. The faecal and urinary excretion rates of Mg, Sr, Ga, As, Sc, V, Cr, Mn, Co, Fe, Y, Zr, Nb, Ru and Mo in cancerous mice, showed the in highest value at 0-8 hours. The accumulative excretion of Ca, Mo, Y and Zr was decreased and Na, Fe, Mn and Co increased in tumour-bearing mice, when compared to normal mice.

Finite element modeling of mitral leaflet tissue using a layered shell approximation

PubMed Central

Ratcliffe, Mark B.; Guccione, Julius M.

2012-01-01

The current study presents a finite element model of mitral leaflet tissue, which incorporates the anisotropic material response and approximates the layered structure. First, continuum mechanics and the theory of layered composites are used to develop an analytical representation of membrane stress in the leaflet material. This is done with an existing anisotropic constitutive law from literature. Then, the concept is implemented in a finite element (FE) model by overlapping and merging two layers of transversely isotropic membrane elements in LS-DYNA, which homogenizes the response. The FE model is then used to simulate various biaxial extension tests and out-of-plane pressure loading. Both the analytical and FE model show good agreement with experimental biaxial extension data, and show good mutual agreement. This confirms that the layered composite approximation presented in the current study is able to capture the exponential stiffening seen in both the circumferential and radial directions of mitral leaflets. PMID:22971896

High energy density rechargeable magnesium battery using earth-abundant and non-toxic elements

PubMed Central

Orikasa, Yuki; Masese, Titus; Koyama, Yukinori; Mori, Takuya; Hattori, Masashi; Yamamoto, Kentaro; Okado, Tetsuya; Huang, Zhen-Dong; Minato, Taketoshi; Tassel, Cédric; Kim, Jungeun; Kobayashi, Yoji; Abe, Takeshi; Kageyama, Hiroshi; Uchimoto, Yoshiharu

2014-01-01

Rechargeable magnesium batteries are poised to be viable candidates for large-scale energy storage devices in smart grid communities and electric vehicles. However, the energy density of previously proposed rechargeable magnesium batteries is low, limited mainly by the cathode materials. Here, we present new design approaches for the cathode in order to realize a high-energy-density rechargeable magnesium battery system. Ion-exchanged MgFeSiO4 demonstrates a high reversible capacity exceeding 300 mAh·g−1 at a voltage of approximately 2.4 V vs. Mg. Further, the electronic and crystal structure of ion-exchanged MgFeSiO4 changes during the charging and discharging processes, which demonstrates the (de)insertion of magnesium in the host structure. The combination of ion-exchanged MgFeSiO4 with a magnesium bis(trifluoromethylsulfonyl)imide–triglyme electrolyte system proposed in this work provides a low-cost and practical rechargeable magnesium battery with high energy density, free from corrosion and safety problems. PMID:25011939

High energy density rechargeable magnesium battery using earth-abundant and non-toxic elements

NASA Astrophysics Data System (ADS)

Orikasa, Yuki; Masese, Titus; Koyama, Yukinori; Mori, Takuya; Hattori, Masashi; Yamamoto, Kentaro; Okado, Tetsuya; Huang, Zhen-Dong; Minato, Taketoshi; Tassel, Cédric; Kim, Jungeun; Kobayashi, Yoji; Abe, Takeshi; Kageyama, Hiroshi; Uchimoto, Yoshiharu

2014-07-01

Rechargeable magnesium batteries are poised to be viable candidates for large-scale energy storage devices in smart grid communities and electric vehicles. However, the energy density of previously proposed rechargeable magnesium batteries is low, limited mainly by the cathode materials. Here, we present new design approaches for the cathode in order to realize a high-energy-density rechargeable magnesium battery system. Ion-exchanged MgFeSiO4 demonstrates a high reversible capacity exceeding 300 mAh.g-1 at a voltage of approximately 2.4 V vs. Mg. Further, the electronic and crystal structure of ion-exchanged MgFeSiO4 changes during the charging and discharging processes, which demonstrates the (de)insertion of magnesium in the host structure. The combination of ion-exchanged MgFeSiO4 with a magnesium bis(trifluoromethylsulfonyl)imide-triglyme electrolyte system proposed in this work provides a low-cost and practical rechargeable magnesium battery with high energy density, free from corrosion and safety problems.

Deformation of Ordinary Chondrite Under Very Reducing Conditons: Implications for Liquid Metal Compositions, HSE Partitioning and Enstatite Chondrites

NASA Astrophysics Data System (ADS)

Rushmer, T.; Corgne, A.

2008-12-01

One important method in which to gain insight into metallic liquid compositions and their ability to control HSE (highly siderophile element) distribution is through experimentation. Deformation experiments can additionally provide information into mechanisms and chemical consequences of dynamic liquid metal segregation under a variety of conditions. We report results on metallic liquid HSE compositions and their distribution from a set of deformation experiments on a natural H6 ordinary chondrite, performed under very reducing conditions and a series of phase equilibria experiments focused on HSE partitioning between Si-rich and S-rich Fe molten alloys. The deformation experiments were conducted at temperatures between 925°C and 950°C, at 1.3 GPa confining pressure with a strain rate of 10-4/s. Major element analyses of both silicate and metal phases show that they are considerably reduced and the typically lithophile elements are behaving like siderophiles. Fe-Ni-Si compositions are found in the shear zones produced during the deformation experiment. Metallic compositions also include (Mg,Fe,Ca)S, Fe-Ni-Si, FeP, and Fe-Ni-S quench metal. Silicate phases include forsterite (Fo92-96) and enstatite (En98). Highly siderophile element (HSE) concentrations have been measured in the sulphide ((Fe,Mg,Ca)S) and metal (Fe- Ni-Si) phases by LA-ICPMS and compared with results from an earlier set of experiments on the same material but which were not performed under reducing conditions. The partitioning of the PGE is modified by the changing conditions with elements such as Ir and Os having higher DMetal/Sulphide values under reducing conditions. Partitioning experiments between molten FeS and Ni-, Si-bearing molten Fe were performed at 1.5-5.0 GPa and 1500-1750° to further investigate this observation. The starting material is synthetic, doped with a range of trace and HSE elements. The results confirm the preference of the HSE for the metallic phase with DMetal/Sulphide > 100 in most cases, in contrast to Cu and Ag, which have D values near or below 1, respectively. Our results also suggest the possibility of significant PGE fractionation since D values are larger for Ir and Os and smaller for Pd and Au, with Pt, Ru, Rh having intermediate values. It is not clear with the present data set whether T and P variations can affect significantly HSE partitioning. These results have been applied to the most naturally reduced material we know, the Enstatite chondrites. Several E chondrites have bulk HSE data available, but no HSE data available on sulphide and metallic phases themselves. We have now a set of HSE data for individual metallic phases in several enstatite chondrites, both EH and ELs. The bulk data show that for elements such as Os and Pd, the abundances are positively correlated and overall Pd is much higher in abundance. We find in the experiments that DPd ranges between 10-100, but do not fully explain the bulk trends. Additional phases, such as FeP have therefore been analyzed and we find that Pd is concentrated in FeP and the presence of schreibersite may help explain the high Pd ratios (e.g. Pd/Ir) observed in the Enstatite chondrites.

Mapping Metal Elements of Shuangbai Dinosaur Fossil by Synchrotron X-ray Fluorescence Microprobe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Y.; Qun, Y; Ablett, J

The metal elements mapping of Shuangbai dinosaur fossil, was obtained by synchrotron x-ray fluorescence (SXRF). Eight elements, Ca, Mn, Fe, Cu, Zn, As, Y and Sr were determined. Elements As and Y were detected for the first time in the dinosaur fossil. The data indicated that metal elements are asymmetrical on fossil section. This is different from common minerals. Mapping metals showed that metal element As is few. The dinosaur most likely belongs to natural death. This is different from Zigong dinosaurs which were found dead from poisoning. This method has been used to find that metals Fe and Mnmore » are accrete, and the same is true for Sr and Y. This study indicated that colloid granule Fe and Mn, as well as Sr and Y had opposite electric charges in lithification process of fossils. By this analysis, compound forms can be ascertained. Synchrotron light source x-ray fluorescence is a complementary method that shows mapping of metal elements at the dinosaur fossil, and is rapid, exact and intuitionist. This study shows that dinosaur fossil mineral imaging has a potential in reconstructing the paleoenvironment and ancient geology.« less

The Abundances of the Fe Group Elements in AV 304, an Abundance Standard in the Small Magellanic Cloud

NASA Astrophysics Data System (ADS)

Peters, Geraldine J.; Lanz, Thierry; Bouret, Jean-Claude; Proffitt, Charles R.; Adelman, Saul J.; Hubeny, Ivan

2018-06-01

AV 304 is a B0.5 IV field star in the Small Magellanic Cloud with ultra-sharp spectral lines that has emerged as an abundance standard. We have combined recent spectroscopic observations from the Cosmic Origins Spectrograph (COS) on the Hubble Space Telescope with archival data from the Far Ultraviolet Spectroscopic Explorer (FUSE) and ESO’s VLT/UVES to determine the abundances of the Fe group elements (Ti, V, Cr, Mn, Fe, Co, & Ni). The analysis was carried through using the Hubeny/Lanz NLTE programs TLUSTY/SYNSPEC. The COS observations were secured with the G130M, G160M, G185M, and G225M gratings. Combined with the FUSE data, we have achieved spectral coverage in the UV from 950 to 2400 A. Measurable lines from the Fe group, except for a very few multiplets of Fe II, III are not observed in optical spectra. The following stellar parameters were found: Teff = 27500±500 K, log g = 3.7±0.1 cm/s2, Vturb= 1±1 km/s, and v sin i = 8 ±2 km/s. The Fe abundance appears to be only slightly lower than the mean depletion in the SMC, but the other Fe group elements are underabundant by 0.3 dex or more. This study confirmed the low abundance of nitrogen (-1.25 dex relative to the solar value) that was reported by Peters & Adelman (ASP Conf. Series, 348, p. 136, 2006). Whereas the light elements are delivered to the ISM by core-collapse supernovae (CCSNe), the Fe group elements are believed to come mostly from low/intermediate mass binaries containing white dwarfs that undergo SNe Ia explosions. A single SNe Ia can deliver 0.5 solar masses of pure Fe (and maybe Mn) to the ISM compared with about 0.07 solar masses from a CCSNe. It appears that there is very little processed material from its interior in the atmosphere of AV 304 and that the star did not form from an interstellar cloud that was enriched by material from earlier supernova activity. Support from STScI grants HST-GO-14081.002 and HST-GO-13346.022, and USC’s Women in Science and Engineering (WiSE) program is greatly appreciated.

Estimation of the Temperature-Dependent Nitrogen Solubility in Stainless Fe-Cr-Mn-Ni-Si-C Steel Melts During Processing

NASA Astrophysics Data System (ADS)

Wendler, Marco; Hauser, Michael; Sandig, Eckhard Frank; Volkova, Olena

2018-04-01

The influence of chemical composition, temperature, and pressure on the nitrogen solubility of various high alloy stainless steel grades, namely Fe-14Cr-(0.17-7.77)Mn-6Ni-0.5Si-0.03C [wt pct], Fe-15Cr-3Mn-4Ni-0.5Si-0.1C [wt pct], and Fe-19Cr-3Mn-4Ni-0.5Si-0.15C [wt pct], was studied in the melt. The temperature-dependent N-solubility was determined using an empirical approach proposed by Wada and Pehlke. The thus calculated N-concentrations overestimate the actual N-solubility of all the studied Fe-Cr-Mn-Ni-Si-C steel melts at a given temperature and pressure. Consequently, the calculation model has to be modified by Si and C because both elements are not recognized in the original equation. The addition of the 1st and 2nd order interaction parameters for Si and C to the model by Wada and Pehlke allows a precise estimation of the temperature-dependent nitrogen solubility in the liquid steel bath, and fits very well with the measured nitrogen concentrations during processing of the steels. Moreover, the N-solubility enhancing effect of Cr- and Mn-additions has been demonstrated.

In situ determination of binary alloy melt compositions in the LHDAC by X- Radiography

NASA Astrophysics Data System (ADS)

Lord, O. T.; Walter, M. J.; Walker, D.; Clark, S. M.

2008-12-01

Constraining the light element in Earth's molten outer core requires an understanding of the melting phase relations in iron-light element binary systems. For example, it is critical to determine the composition of liquids at binary eutectics. Typically such measurements are carried out after the sample has been quenched in temperature and pressure. Such 'cook and look' methods possibly suffer from systematic errors introduced by exsolution of the light element from the melt on quench and error in the reintegration of the liquid composition [1]. Here, we present a novel method for the determination of melt compositions in iron-light element binary systems in situ in the LHDAC at simultaneous high-pressure, high-temperature conditions. Samples consist of a light element bearing compound, such as FeO, surrounded by a pure iron ring, forming a donut ~100 μm in diameter and ~15 μm thick. The donuts are loaded into stainless steel gaskets in the DAC, sandwiched between discs fabricated from sol-gel deposited nanocrystalline Al2O3 with similar dimensions to the donut. Pressure is monitored by ruby fluorescence during compression. The sample is heated at the boundary between the iron and light element compound using two 100 W IR lasers in a double-sided configuration at beamline 12.2.2 at the Advanced Light Source. Temperature is measured by spectroradiometry. Before, during and after melting, X-radiographic images of the sample are taken by shining a defocused beam of synchrotron X-rays through the sample and onto a CdWO4 phosphor. The visible light from the phosphor is then focused onto a high resolution CCD, where absorption contrast images are recorded. The absorption of the molten region is then determined, and it's composition calculated by linear interpolation between the absorption of the two solid end members. As a test of the reliability of the method we measured the Fe-FeS eutectic to 20 GPa and our results are in good agreement with previous studies that are based on various ex situ techniques. We measured the eutectic composition between Fe and Fe3C up to 44 GPa, and found that the carbon content of the eutectic drops rapidly above about 10 GPa, dropping to less that 1 wt% by 44 GPa. This result is generally consistent with the thermodynamic calculations of Wood [2]. Experiments on the Fe-FeSi eutectic yielded an increase in the Si content of the eutectic to 35 GPa, consistent with data from large volume press experiments [3] Notably, melting experiments at 35-43 GPa and ~2500 K on a boundary between Fe and FeO failed to yield evidence of a melt with a composition distinguishable from pure iron. However, an experiment at 12 GPa and 2700 K between Fe and FeO(OH) did yield a melt with a composition intermediate between the two end members. This suggests that O solubility in the Fe-O eutectic melt is low at mid-mantle pressures, but that H may dissolve into the melt by itself or in combination with O. [1] Walker, D., 2005. Core-Mantle chemical issues. Canad. Min., 43, 1553-1564 [2] Wood, B. J., 1993. Carbon in the core. Earth Planet Sci. Lett., 117, 593-607 [3] Kuwayama, Y. & Hirose, K., 2004. Phase relations in the system Fe-FeSi at 21 GPa. Am. Min., 89, 273-276.

NOTE: Do acupuncture points exist?

NASA Astrophysics Data System (ADS)

Yan, Xiaohui; Zhang, Xinyi; Liu, Chenglin; Dang, Ruishan; Huang, Yuying; He, Wei; Ding, Guanghong

2009-05-01

We used synchrotron x-ray fluorescence analysis to probe the distribution of four chemical elements in and around acupuncture points, two located in the forearm and two in the lower leg. Three of the four acupuncture points showed significantly elevated concentrations of elements Ca, Fe, Cu and Zn in relation to levels in the surrounding tissue, with similar elevation ratios for Cu and Fe. The mapped distribution of these elements implies that each acupuncture point seems to be elliptical with the long axis along the meridian.

Modelling NDE pulse-echo inspection of misorientated planar rough defects using an elastic finite element method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pettit, J. R.; Lowe, M. J. S.; Walker, A. E.

2015-03-31

Pulse-echo ultrasonic NDE examination of large pressure vessel forgings is a design and construction code requirement in the power generation industry. Such inspections aim to size and characterise potential defects that may have formed during the forging process. Typically these defects have a range of orientations and surface roughnesses which can greatly affect ultrasonic wave scattering behaviour. Ultrasonic modelling techniques can provide insight into defect response and therefore aid in characterisation. However, analytical approaches to solving these scattering problems can become inaccurate, especially when applied to increasingly complex defect geometries. To overcome these limitations a elastic Finite Element (FE) methodmore » has been developed to simulate pulse-echo inspections of embedded planar defects. The FE model comprises a significantly reduced spatial domain allowing for a Monte-Carlo based approach to consider multiple realisations of defect orientation and surface roughness. The results confirm that defects aligned perpendicular to the path of beam propagation attenuate ultrasonic signals according to the level of surface roughness. However, for defects orientated away from this plane, surface roughness can increase the magnitude of the scattered component propagating back along the path of the incident beam. This study therefore highlights instances where defect roughness increases the magnitude of ultrasonic scattered signals, as opposed to attenuation which is more often assumed.« less

Alloy NASA-HR-1

NASA Technical Reports Server (NTRS)

Chen, Po-Shou; Mitchell, Michael

2005-01-01

NASA-HR-1 is a high-strength Fe-Ni-base superalloy that resists high-pressure hydrogen environment embrittlement (HEE), oxidation, and corrosion. Originally derived from JBK-75, NASA-HR-1 has exceptional HEE resistance that can be attributed to its gamma-matrix and eta-free (Ni3Ti) grain boundaries. The chemistry was formulated using a design approach capable of accounting for the simultaneous effects of several alloy additions. This approach included: (1) Systematically modifying gamma-matrix compositions based on JBK-75; (2) Increasing gamma (Ni3(Al,Ti)) volume fraction and adding gamma-matrix strengthening elements to obtain higher strength; and (3) Obtaining precipitate-free grain boundaries. The most outstanding attribute of NASA-HR-1 is its ability to resist HEE while showing much improved strength. NASA-HR-1 has approximately 25% higher yield strength than JXK-75 and exhibits tensile elongation of more than 20% with no ductility loss in a hydrogen environment at 5 ksi, an achievement unparalleled by any other commercially available alloy. Its Cr and Ni contents provide exceptional resistance to environments that promote oxidation and corrosion. Microstructural stability was maintained by improved solid solubility of the gamma-matrix, along with the addition of alloying elements to retard eta (Ni3Ti) precipitation. NASA-HR-1 represents a new system that greatly extends the compositional ranges of existing HEE-resistant Fe-Ni-base superalloys.

A finite element model of myocardial infarction using a composite material approach.

PubMed

Haddad, Seyyed M H; Samani, Abbas

2018-01-01

Computational models are effective tools to study cardiac mechanics under normal and pathological conditions. They can be used to gain insight into the physiology of the heart under these conditions while they are adaptable to computer assisted patient-specific clinical diagnosis and therapeutic procedures. Realistic cardiac mechanics models incorporate tissue active/passive response in conjunction with hyperelasticity and anisotropy. Conventional formulation of such models leads to mathematically-complex problems usually solved by custom-developed non-linear finite element (FE) codes. With a few exceptions, such codes are not available to the research community. This article describes a computational cardiac mechanics model developed such that it can be implemented using off-the-shelf FE solvers while tissue pathologies can be introduced in the model in a straight-forward manner. The model takes into account myocardial hyperelasticity, anisotropy, and active contraction forces. It follows a composite tissue modeling approach where the cardiac tissue is decomposed into two major parts: background and myofibers. The latter is modelled as rebars under initial stresses mimicking the contraction forces. The model was applied in silico to study the mechanics of infarcted left ventricle (LV) of a canine. End-systolic strain components, ejection fraction, and stress distribution attained using this LV model were compared quantitatively and qualitatively to corresponding data obtained from measurements as well as to other corresponding LV mechanics models. This comparison showed very good agreement.

Approaches in the Determination of Plant Nutrient Uptake and Distribution in Space Flight Conditions

NASA Technical Reports Server (NTRS)

Heyenga, A. G.; Forsman, A.; Stodieck, L. S.; Hoehn, A.; Kliss, Mark

1998-01-01

The effective growth and development of vascular plants rely on the adequate availability of water and nutrients. Inefficiency in either the initial absorption, transportation, or distribution of these elements are factors which may impinge on plant structure and metabolic integrity. The potential effect of space flight and microgravity conditions on the efficiency of these processes is unclear. Limitations in the available quantity of space-grown plant material and the sensitivity of routine analytical techniques have made an evaluation of these processes impractical. However, the recent introduction of new plant cultivating methodologies supporting the application of radionuclide elements and subsequent autoradiography techniques provides a highly sensitive investigative approach amenable to space flight studies. Experiments involving the use of gel based 'nutrient packs' and the nuclides Ca45 and Fe59 were conducted on the Shuttle mission STS-94. Uptake rates of the radionuclides between ground and flight plant material appeared comparable.

Stochastic filtering for damage identification through nonlinear structural finite element model updating

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.

Trace elements in lenses of normal Wistar Kyoto rats

NASA Astrophysics Data System (ADS)

Kinoshita, Akio; Gong, Huaqing; Amemiya, Tsugio; Takaya, Kenichi; Tozu, Miyako; Ohashi, Yoshiharu

2003-01-01

Chemical analysis of the element and organic substance at the site of pathological changes due to aging is one of the approaches of cataract research. Time of flight secondary ion mass spectrometry (TOF-SIMS) microscopy is expected to analyze elements and organic substances in the lens. The purpose of the present study is to compare elements and organic substances in the lenses of normal 4-month-old rats with those of normal 15-month-old rats by means of a TOF-SIMS microscope. The present study showed that the concentration of Ca and Fe was significantly higher, and that of Na and Mg was significantly lower in 15-month-old rats than that in 4-month-old rats. No changes were found in the concentration of K. The present study also showed that the equator contained more Ca, Na and Mg than the nucleus; in contrast, the Cu concentration was higher in the nucleus than in the equator. In 15-month-old rats, Mg and Vit. A in the equator and Zn in the nucleus were significantly lower than those in 4-month-old rats. TOF-SIMS microscopy could detect elemental changes in the rat lens with age, and is expected to be useful approach of cataract studies.

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.

Scalable implicit incompressible resistive MHD with stabilized FE and fully-coupled Newton–Krylov-AMG

DOE PAGES

Shadid, J. N.; Pawlowski, R. P.; Cyr, E. C.; ...

2016-02-10

Here, we discuss that the computational solution of the governing balance equations for mass, momentum, heat transfer and magnetic induction for resistive magnetohydrodynamics (MHD) systems can be extremely challenging. These difficulties arise from both the strong nonlinear, nonsymmetric coupling of fluid and electromagnetic phenomena, as well as the significant range of time- and length-scales that the interactions of these physical mechanisms produce. This paper explores the development of a scalable, fully-implicit stabilized unstructured finite element (FE) capability for 3D incompressible resistive MHD. The discussion considers the development of a stabilized FE formulation in context of the variational multiscale (VMS) method,more » and describes the scalable implicit time integration and direct-to-steady-state solution capability. The nonlinear solver strategy employs Newton–Krylov methods, which are preconditioned using fully-coupled algebraic multilevel preconditioners. These preconditioners are shown to enable a robust, scalable and efficient solution approach for the large-scale sparse linear systems generated by the Newton linearization. Verification results demonstrate the expected order-of-accuracy for the stabilized FE discretization. The approach is tested on a variety of prototype problems, that include MHD duct flows, an unstable hydromagnetic Kelvin–Helmholtz shear layer, and a 3D island coalescence problem used to model magnetic reconnection. Initial results that explore the scaling of the solution methods are also presented on up to 128K processors for problems with up to 1.8B unknowns on a CrayXK7.« less

Fatigue Life Methodology for Bonded Composite Skin/Stringer Configurations

NASA Technical Reports Server (NTRS)

Krueger, Ronald; Paris, Isabelle L.; OBrien, T. Kevin; Minguet, Pierre J.

2001-01-01

A methodology is presented for determining the fatigue life of composite structures based on fatigue characterization data and geometric nonlinear finite element (FE) analyses. To demonstrate the approach, predicted results were compared to fatigue tests performed on specimens which represented a tapered composite flange bonded onto a composite skin. In a first step, tension tests were performed to evaluate the debonding mechanisms between the flange and the skin. In a second step, a 2D FE model was developed to analyze the tests. To predict matrix cracking onset, the relationship between the tension load and the maximum principal stresses transverse to the fiber direction was determined through FE analysis. Transverse tension fatigue life data were used to -enerate an onset fatigue life P-N curve for matrix cracking. The resulting prediction was in good agreement with data from the fatigue tests. In a third step, a fracture mechanics approach based on FE analysis was used to determine the relationship between the tension load and the critical energy release rate. Mixed mode energy release rate fatigue life data were used to create a fatigue life onset G-N curve for delamination. The resulting prediction was in good agreement with data from the fatigue tests. Further, the prediction curve for cumulative life to failure was generated from the previous onset fatigue life curves. The results showed that the methodology offers a significant potential to Predict cumulative fatigue life of composite structures.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roederer, Ian U.; Karakas, Amanda I.; Pignatari, Marco

We present a detailed analysis of the composition and nucleosynthetic origins of the heavy elements in the metal-poor ([Fe/H] = −1.62 ± 0.09) star HD 94028. Previous studies revealed that this star is mildly enhanced in elements produced by the slow neutron-capture process (s process; e.g., [Pb/Fe] = +0.79 ± 0.32) and rapid neutron-capture process (r process; e.g., [Eu/Fe] = +0.22 ± 0.12), including unusually large molybdenum ([Mo/Fe] = +0.97 ± 0.16) and ruthenium ([Ru/Fe] = +0.69 ± 0.17) enhancements. However, this star is not enhanced in carbon ([C/Fe] = −0.06 ± 0.19). We analyze an archival near-ultraviolet spectrum of HD 94028, collected using the Space Telescope Imaging Spectrograph on board the Hubble Space Telescope, and other archival optical spectra collected frommore » ground-based telescopes. We report abundances or upper limits derived from 64 species of 56 elements. We compare these observations with s-process yields from low-metallicity AGB evolution and nucleosynthesis models. No combination of s- and r-process patterns can adequately reproduce the observed abundances, including the super-solar [As/Ge] ratio (+0.99 ± 0.23) and the enhanced [Mo/Fe] and [Ru/Fe] ratios. We can fit these features when including an additional contribution from the intermediate neutron-capture process (i process), which perhaps operated through the ingestion of H in He-burning convective regions in massive stars, super-AGB stars, or low-mass AGB stars. Currently, only the i process appears capable of consistently producing the super-solar [As/Ge] ratios and ratios among neighboring heavy elements found in HD 94028. Other metal-poor stars also show enhanced [As/Ge] ratios, hinting that operation of the i process may have been common in the early Galaxy.« less

Trace element supplementation in the biogas production from wheat stillage--optimization of metal dosing.

PubMed

Schmidt, Thomas; Nelles, Michael; Scholwin, Frank; Pröter, Jürgen

2014-09-01

A trace element dosing strategy for the anaerobic digestion of wheat stillage was developed in this study. Mesophilic CSTR reactors were operated with the sulfuric substrate wheat stillage in some cases under trace element deficiency. After supplementing trace elements during the start-up, one of the elements of Fe, Ni, Co, Mo, and W were depleted in one digester while still augmenting the other elements to determine minimum requirements for each element. The depletion of Fe and Ni resulted in a rapid accumulation of volatile fatty acids while Co and W seem to have a long-term effect. Based on the results it was possible to reduce the dosing of trace elements, which is positive with reference to economic and environmental aspects. Copyright © 2014 Elsevier Ltd. All rights reserved.

The P-Fe diagram for K-feldspars: A preliminary approach in the discrimination of pegmatites

NASA Astrophysics Data System (ADS)

Sánchez-Muñoz, Luis; Müller, Axel; Andrés, Sol López; Martin, Robert F.; Modreski, Peter J.; de Moura, Odulio J. M.

2017-02-01

Pegmatites are extremely coarse-grained and heterogeneous rocks in which quantitative measurements of mineral proportions and chemical compositions of the whole rock are virtually impossible to acquire. Thus, conventional criteria such as bulk compositions and modal mineralogy used for the classifications of igneous rocks simply cannot be applied for pegmatites. An alternative is to use the mineralogical and chemical attributes of K-rich feldspars, the only mineral that is omnipresent in pegmatites. We have used this approach to test a possible discriminant among four groups of pegmatites on the basis of major petrological features, such as the abundance of quartz, feldspars, micas and phosphates. Group I is represented by relatively flux-poor, and silica-poor pegmatites, in most cases with hypersolvus feldspars, devoid of quartz and with minor biotite, which are common in rift settings as in the Coldwell Alkaline Complex in northwestern Ontario, Canada. Group II comprises relatively flux-poor, silica-rich pegmatites with quartz, subsolvus feldspars and biotite as major primary minerals, typically occurring in the asymmetric collisional Grenville Orogeny. Group III comprises relatively flux-rich, silica-rich P-poor pegmatites with quartz, subsolvus feldspars, and muscovite as the major primary minerals. Finally, group IV consists of relatively flux-rich, silica-rich, P-rich pegmatites with the same previous major minerals as in group III but with abundant phosphates. Group III and IV are found in most symmetric collisional orogens, such as in the Eastern Brazilian Pegmatite Province as the result of the collision of cratons mainly formed by igneous and metamorphic rock of Archean and Early Proterozoic age. We have selected specimens of blocky perthitic K-rich feldspar from the inner part of thirty-one pegmatites belonging to these four categories occurring worldwide to cover a wide range of mineralogy, geological age, geotectonic setting and geographical positions. Concentrations of major elements (Si, Al, K, Na, Ca, Fe, Mg, Mn, Ti and P) were obtained by X-ray fluorescence (XRF), and those of minor and trace elements (P, Fe, Li, Ge, Ga, Rb, Sr, Ba, Tl, Pb, Y, Cs, Ba, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu) were established by laser-ablation inductively coupled plasma - mass spectrometry (LA-ICP-MS), in areas free of coarse Na-feldspar veins or patches. We show that the four groups have very different average values of the minor and trace elements. However, only the cations occupying tetrahedral sites, particularly the Fe and P, are sufficiently immobile to show distinct differences among pegmatites. Hence, we propose a P-Fe diagram to discriminate among the four groups of pegmatites, as a possible criterion with which to classify pegmatites.

Catalysis of nickel ferrite for photocatalytic water oxidation using [Ru(bpy)3]2+ and S2O8(2-).

PubMed

Hong, Dachao; Yamada, Yusuke; Nagatomi, Takaharu; Takai, Yoshizo; Fukuzumi, Shunichi

2012-12-05

Single or mixed oxides of iron and nickel have been examined as catalysts in photocatalytic water oxidation using [Ru(bpy)(3)](2+) as a photosensitizer and S(2)O(8)(2-) as a sacrificial oxidant. The catalytic activity of nickel ferrite (NiFe(2)O(4)) is comparable to that of a catalyst containing Ir, Ru, or Co in terms of O(2) yield and O(2) evolution rate under ambient reaction conditions. NiFe(2)O(4) also possesses robustness and ferromagnetic properties, which are beneficial for easy recovery from the solution after reaction. Water oxidation catalysis achieved by a composite of earth-abundant elements will contribute to a new approach to the design of catalysts for artificial photosynthesis.

Large reversible magnetostrictive effect of MnCoSi-based compounds prepared by high-magnetic-field solidification

NASA Astrophysics Data System (ADS)

Hu, Q. B.; Hu, Y.; Zhang, S.; Tang, W.; He, X. J.; Li, Z.; Cao, Q. Q.; Wang, D. H.; Du, Y. W.

2018-01-01

The MnCoSi compound is a potential magnetostriction material since the magnetic field can drive a metamagnetic transition from an antiferromagnetic phase to a high magnetization phase in it, which accompanies a large lattice distortion. However, a large driving magnetic field, magnetic hysteresis, and poor mechanical properties seriously hinder its application for magnetostriction. By substituting Fe for Mn and introducing vacancies of the Mn element, textured and dense Mn0.97Fe0.03CoSi and Mn0.88CoSi compounds are prepared through a high-magnetic-field solidification approach. As a result, large room-temperature and reversible magnetostriction effects are observed in these compounds at a low magnetic field. The origin of this large magnetostriction effect and potential applications are discussed.

Mutual interactions of redox couples via electron exchange in silicate melts - Models for geochemical melt systems

NASA Technical Reports Server (NTRS)

Schreiber, Henry D.; Merkel, Robert C., Jr.; Schreiber, V. Lea; Balazs, G. Bryan

1987-01-01

The mutual interactions via electron exchange of redox couples in glass-forming melts were investigated both theoretically and experimentally. A thermodynamic approach for considering the mutual interactions leads to conclusion that the degree of mutual interaction in the melt should be proportional in part to the difference in relative reduction potentials of the interacting redox couples. Experimental studies verify this conclusion for numerous redox couples in several composition/temperature/oxygen fugacity regimes. Geochemical systems simultaneously possess many potentially multivalent elements; the stabilized redox states in the resulting magmas can be explained in part by mutual interactions and by redox buffering through the central Fe(III)- Fe(II) couples in the melts. The significance of these results for basaltic magmas of the earth, moon, and meteorites is addressed.

Concentrations of macro- and micro-elements in the milk of pasture-fed thoroughbred mares.

PubMed

Grace, N D; Pearce, S G; Firth, E C; Fennessy, P F

1999-03-01

To determine the changes in Ca, P, Mg, Na, K, S, Cu, Fe and Zn concentrations of milk during the lactation in pasture-fed Thoroughbred mares and then calculate the dietary mineral requirements of the sucking foal and the lactating mare. Milk was sampled on days 1, 3, 7, 14, 21, 28 and at various times between 55 to 65, 85 to 95 and 135 to 150 days after parturition from 21 pasture-fed mares. The concentrations of macro- and micro-elements in the milk were determined by inductively coupled plasma emission spectrometry. Concentrations (mg/L) of these elements were highest in colostrum (Mg 302, Na 561, K 955, S 1035, Cu 0.76, Fe 0.79 and Zn 5.5) except for Ca (1245) and P (895), which where highest on day 7. The mean milk mineral element concentrations (mg/L) over days 55 to 150 were Ca 843, P 543, Mg 47, Na 120, K 590, S 219, Cu 0.19, Fe 0.34 and Zn 2.1. The mean plasma element concentrations (mg/L) over the same period were Ca 120, P 77.1, Mg 17.0, Na 3110, K 168, S 983, Cu 1.1, Fe 1.5 and Zn 0.49. Concentration gradients between plasma and milk were observed and, in the case of Ca, P, Mg, K and Zn, their concentrations in milk were greater than those in plasma, while a reverse situation was observed for Na, S, Cu and Fe. With the exception of Ca and P, the highest concentrations of mineral elements were observed in the colostrum. The nursing foal should have access to good pasture or creep feed, because the intakes of Ca, P and Cu from milk may be less than optimum to meet the daily mineral element requirements.

Examining Two Sets of Introgression Lines in Rice (Oryza sativa L.) Reveals Favorable Alleles that Improve Grain Zn and Fe Concentrations

PubMed Central

Hu, Xia; Cheng, Li-Rui; Xu, Jian-Long; Shi, Yu-Min; Li, Zhi-Kang

2015-01-01

In the modern world, the grain mineral concentration (GMC) in rice (Oryza sativa L.) not only includes important micronutrient elements such as iron (Fe) and zinc (Zn), but it also includes toxic heavy metal elements, especially cadmium (Cd) and lead (Pb). To date, the genetic mechanisms underlying the regulation of GMC, especially the genetic background and G × E effects of GMC, remain largely unknown. In this study, we adopted two sets of backcross introgression lines (BILs) derived from IR75862 (a Zn-dense rice variety) as the donor parent and two elite indica varieties, Ce258 and Zhongguangxiang1, as recurrent parents to detect QTL affecting GMC traits including Fe, Zn, Cd and Pb concentrations in two environments. We detected a total of 22 loci responsible for GMC traits, which are distributed on all 12 rice chromosomes except 5, 9 and 10. Six genetic overlap (GO) regions affecting multiple elements were found, in which most donor alleles had synergistic effects on GMC. Some toxic heavy metal-independent loci (such as qFe1, qFe2 and qZn12) and some regions that have opposite genetic effects on micronutrient (Fe and Zn) and heavy metal element (Pb) concentrations (such as GO-IV) may be useful for marker-assisted biofortification breeding in rice. We discuss three important points affecting biofortification breeding efforts in rice, including correlations between different GMC traits, the genetic background effect and the G × E effect. PMID:26161553

Structural classification of RAO3( MO) n compounds ( R =Sc, In, Y, or lanthanides; A =Fe(III), Ga, Cr, or Al; M =divalent cation; n = 1-11)

NASA Astrophysics Data System (ADS)

Kimizuka, Noboru; Mohri, Takahiko

1989-01-01

A series of new compounds RAO3( MO) n ( n = 1-11) having spinel, YbFe 2O 4, or InFeO 3(ZnO) n types of structures were newly synthesized ( R =Sc, In, Y, Lu, Yb, Tm, or Er; A =Fe(III), Ga, Cr, or Al; M =Mg, Mn, Fe(II), Co, Ni, Zn, or Cd) at elevated temperatures. The conditions of synthesis and the lattice constants for these compounds are reported. The stacking sequences of the InO 1.5, (FeZn)O 2.5, and ZnO layers for InFeO 3(ZnO) 10 and the TmO 1.5, (AlZn)O 2.5, and ZnO layers for TmAlO 3(ZnO) 11 are presented, respectively. The crystal structures of the( RAO3) m( MO) n phases ( R =Sc, In, Y, or lanthanide elements; A =Fe(III), Ga, Cr, or Al; M =divalent cation elements; m and n =integer) are classified into four crystal structure types (K 2NiF 4, CaFe 2O 4, YbFe 2O 4, and spinel), based upon the constituent cations R, A, and M

Improvement on controllable fabrication of streptavidin-modified three-layer core-shell Fe3O4@SiO2@Au magnetic nanocomposites with low fluorescence background.

PubMed

Jiang, Hongrong; Zeng, Xin; Xi, Zhijiang; Liu, Ming; Li, Chuanyan; Li, Zhiyang; Jin, Lian; Wang, Zhifei; Deng, Yan; He, Nongyue

2013-04-01

In present study, we put forward an approach to prepare three-layer core-shell Fe3O4@SiO2@Au magnetic nanocomposites via the combination of self-assembling, seed-mediated growing and multi-step chemical reduction. The Fe3O4@SiO2@Au magnetic nanocomposites were analyzed and characterized by transmission electron microscope (TEM), scanning electronic microscope (SEM), energy dispersive spectrometer analysis (EDS), Fourier transform infrared spectroscopy (FT-IR), vibrating sample magnetometer (VSM), and ultraviolet and visible spectrophotometer (UV-Vis). TEM and SEM characterizations showed that the FeO4@SiO2@Au nanocomposites were obtained successfully with three-layer structures, especially a layer of thin, smooth and continuous gold shell. The average diameter of Fe3O4@SiO2@Au nanocomposites was about 600 nm and an excellent dispersity was observed for the as-prepared nanoparticles. EDS characterizations demonstrated that the nanocomposites contained three elements of the precursors, Fe, Si, and Au. Furthermore, FT-IR showed that the silica and gold shell were coated successfully. UV-Vis and VSM characterizations showed that the Fe3O4@SiO2@Au nanocomposites exhibited good optical and magnetic property, and the saturation magnetization was 25.76 emu/g. In conclusion, the Fe3O4@SiO2@Au magnetic nanocomposites with three-layer core-shell structures were prepared. Furthermore, Fe3O4@SiO2@Au magnetic nanocomposites were modified with streptavidin (SA) successfully, and it was validated that they performed low fluorescence background, suggesting that they should have good applications especially in bioassay based on fluorescence detection through bonding the biotinylated fluorescent probes.

Refractory Abundances of Terrestrial Planets and Their Stars: Testing [Si/Fe] Correlations with TESS and PLATO

NASA Astrophysics Data System (ADS)

Wolfgang, Angie; Fortney, Jonathan

2018-01-01

In standard models for planet formation, solid material in protoplanetary disks coagulate and collide to form rocky bodies. It therefore seems reasonable to assume that their chemical composition will follow the abundances of refractory elements, such as Si and Fe, in the host star, which has also accreted material from the disk. Backed by planet formation simulations which validate this assumption, planetary internal structure models have begun to use stellar abundances to break degeneracies in low-mass planet compositions inferred only from mass and radius. Inconveniently, our own Solar System contradicts this approach, as its terrestrial bodies exhibit a range of rock/iron ratios and the Sun's [Si/Fe] ratio is offset from the mean planetary [Si/Fe]. In this work, we explore what number and quality of observations we need to empirically measure the exoplanet-star [Si/Fe] correlation, given future transit missions, RV follow-up, and stellar characterization. Specifically, we generate synthetic datasets of terrestrial planet masses and radii and host star abundances assuming that the planets’ bulk [Si/Fe] ratio exactly tracks that of their host stars. We assign measurement uncertainties corresponding to expected precisions for TESS, PLATO, Gaia, and future RV instrumentation, and then invert the problem to infer the planet-star [Si/Fe] correlation given these observational constraints. Comparing the result to the generated truth, we find that 1% precision on the planet radii is needed to test whether [Si/Fe] ratios are correlated between exoplanet and host star. On the other hand, lower precisions can test for systematic offsets between planet and star [Si/Fe], which can constrain the importance of giant impacts for extrasolar terrestrial planet formation.

Effect of Alloy Elements on Microstructures and Mechanical Properties in Al-Mg-Si Alloys

NASA Astrophysics Data System (ADS)

Kato, Yoshikazu; Hisayuki, Koji; Sakaguchi, Masashi; Higashi, Kenji

Microstructures and mechanical properties in the modified Al-Mg-Si alloys with variation in the alloy elements and their contents were investigated to enhance higher strength and ductility. Optimizing both the alloy element design and the industrial processes including heat-treatments and extrusion technology was carried out along the recent suggestion from the first principles calculation. The investigation concluded that the addition of Fe and/or Cu could recovery their lost ductility, furthermore increase their tensile strength up to 420 MPa at high elongation of 24 % after T6 condition for Al-0.8mass%Mg-1.0mass%Si-0.8mass%Cu-0.5mass%Fe alloy with excess Si content. The excellent combination between strength and ductility could be obtained by improvement to the grain boundary embitterment caused by grain boundary segregation of Si as a result from the interaction of Si with Cu or Fe with optimizing the amount of Cu and Fe contents.

Effect of light elements on the sound velocities in solid iron: Implications for the composition of Earth's core

NASA Astrophysics Data System (ADS)

Badro, James; Fiquet, Guillaume; Guyot, François; Gregoryanz, Eugene; Occelli, Florent; Antonangeli, Daniele; d'Astuto, Matteo

2007-02-01

We measured compressional sound velocities in light element alloys of iron (FeO, FeSi, FeS, and FeS2) at high-pressure by inelastic X-ray scattering. This dataset provides new mineralogical constraints on the composition of Earth's core, and completes the previous sets formed by the pressure-density systematics for these compounds. Based on the combination of these datasets and their comparison with radial seismic models, we propose an average composition model of the Earth's core. We show that the incorporation of small amounts of silicon or oxygen is compatible with geophysical observations and geochemical abundances. The effect of nickel on the calculated light element contents is shown to be negligible. The preferred core model derived from our measurements is an inner core which contains 2.3 wt.% silicon and traces of oxygen, and an outer core containing 2.8 wt.% silicon and around 5.3 wt.% oxygen.

COST-EFFECTIVE RARE EARTH ELEMENT RECYCLING PROCESS FROM INDUSTRIAL SCRAP AND DISCARDED ELECTRONIC PRODUCTS TO VALUABLE MAGNETIC ALLOYS AND PERMANENT MAGNETS - PHASE II

EPA Science Inventory

Rare earth element (REE) based Nd-Fe-B and Sm-Co permanent magnets have been widely used because of their excellent magnetic properties. The applications of Nd-Fe-B and Sm-Co rare earth permanent magnets include hybrid electric vehicles (HEVs), power generators for wind tur...

All-soluble all-iron aqueous redox-flow battery

DOE PAGES

Gong, Ke; Xu, Fei; Grunewald, Jonathan B.; ...

2016-05-03

The rapid growth of intermittent renewable energy (e.g., wind and solar) demands low-cost and large-scale energy storage systems for smooth and reliable power output, where redox-flow batteries (RFBs) could find their niche. In this work, we introduce the first all-soluble all-iron RFB based on iron as the same redox-active element but with different coordination chemistries in alkaline aqueous system. The adoption of the same redox-active element largely alleviates the challenging problem of cross-contamination of metal ions in RFBs that use two redox-active elements. An all-soluble all-iron RFB is constructed by combining an iron–triethanolamine redox pair (i.e., [Fe(TEOA)OH] –/[Fe(TEOA)(OH)] 2–) andmore » an iron–cyanide redox pair (i.e., Fe(CN) 6 3–/Fe(CN) 6 4–), creating 1.34 V of formal cell voltage. Furthermore, good performance and stability have been demonstrated, after addressing some challenges, including the crossover of the ligand agent. As exemplified by the all-soluble all-iron flow battery, combining redox pairs of the same redox-active element with different coordination chemistries could extend the spectrum of RFBs.« less

Adaptive finite element modelling of three-dimensional magnetotelluric fields in general anisotropic media

NASA Astrophysics Data System (ADS)

Liu, Ying; Xu, Zhenhuan; Li, Yuguo

2018-04-01

We present a goal-oriented adaptive finite element (FE) modelling algorithm for 3-D magnetotelluric fields in generally anisotropic conductivity media. The model consists of a background layered structure, containing anisotropic blocks. Each block and layer might be anisotropic by assigning to them 3 × 3 conductivity tensors. The second-order partial differential equations are solved using the adaptive finite element method (FEM). The computational domain is subdivided into unstructured tetrahedral elements, which allow for complex geometries including bathymetry and dipping interfaces. The grid refinement process is guided by a global posteriori error estimator and is performed iteratively. The system of linear FE equations for electric field E is solved with a direct solver MUMPS. Then the magnetic field H can be found, in which the required derivatives are computed numerically using cubic spline interpolation. The 3-D FE algorithm has been validated by comparisons with both the 3-D finite-difference solution and 2-D FE results. Two model types are used to demonstrate the effects of anisotropy upon 3-D magnetotelluric responses: horizontal and dipping anisotropy. Finally, a 3D sea hill model is modelled to study the effect of oblique interfaces and the dipping anisotropy.

Autumnal resorption and accretion of trace metals in gallery forest tree. [Quercus macrocarpa, Quercus muehlenbergii, Fraxinus pennsylvanica, Celtis occidentalis, and Ulmus rubra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Killingbeck, K.T.

1985-02-01

Autumnal resorption and accretion of copper (Cu), iron (Fe), zinc (Zn), and manganese (Mn) were measured in the foliage of five gallery forest trees species on the Konza Prairie Research Natural Area. Presenescence and postabscission leaves from five trees each of Quercus macrocarpa, Q. muehlenbergii, Fraxinus pennsylvanica, Celtis occidentalis, and Ulmus rubra, were sampled. Three species resorbed 19, 25, and 26%, respectively, of their presenescence foliar Zn, and one species resorbed 35% of its presenescence foliar Fe. This validates the prediction made by others that Zn and Fe are withdrawn from the senescing foliage of at least some deciduous species.more » Net accretions of Cu (43, 44, 69%), Fe (36, 40%), and Mn (19, 57%) occurred during the same period. The two oak species were responsible for most of the resorption, while the three non-oak species accounted for all of the significant accretions. Such well-defined differences in element conservation may influence interspecific competition by accentuating, or compensating for, species differences in element uptake ability and element use efficiency. Demand:availability ratios proved useful in predicting the likelihood that a given element would be conserved through resorption.« less

Constraints on Earth’s inner core composition inferred from measurements of the sound velocity of hcp-iron in extreme conditions

PubMed Central

Sakamaki, Tatsuya; Ohtani, Eiji; Fukui, Hiroshi; Kamada, Seiji; Takahashi, Suguru; Sakairi, Takanori; Takahata, Akihiro; Sakai, Takeshi; Tsutsui, Satoshi; Ishikawa, Daisuke; Shiraishi, Rei; Seto, Yusuke; Tsuchiya, Taku; Baron, Alfred Q. R.

2016-01-01

Hexagonal close-packed iron (hcp-Fe) is a main component of Earth’s inner core. The difference in density between hcp-Fe and the inner core in the Preliminary Reference Earth Model (PREM) shows a density deficit, which implies an existence of light elements in the core. Sound velocities then provide an important constraint on the amount and kind of light elements in the core. Although seismological observations provide density–sound velocity data of Earth’s core, there are few measurements in controlled laboratory conditions for comparison. We report the compressional sound velocity (VP) of hcp-Fe up to 163 GPa and 3000 K using inelastic x-ray scattering from a laser-heated sample in a diamond anvil cell. We propose a new high-temperature Birch’s law for hcp-Fe, which gives us the VP of pure hcp-Fe up to core conditions. We find that Earth’s inner core has a 4 to 5% smaller density and a 4 to 10% smaller VP than hcp-Fe. Our results demonstrate that components other than Fe in Earth’s core are required to explain Earth’s core density and velocity deficits compared to hcp-Fe. Assuming that the temperature effects on iron alloys are the same as those on hcp-Fe, we narrow down light elements in the inner core in terms of the velocity deficit. Hydrogen is a good candidate; thus, Earth’s core may be a hidden hydrogen reservoir. Silicon and sulfur are also possible candidates and could show good agreement with PREM if we consider the presence of some melt in the inner core, anelasticity, and/or a premelting effect. PMID:26933678

Compositional and Microstructural Evolution of Olivine During Pulsed Laser Irradiation: Insights Based on a FIB/Field-Emission TEM Study

NASA Technical Reports Server (NTRS)

Christoffersen, R.; Loeffler, M. J.; Dukes, C. A.; Baragiola, R. A.

2015-01-01

Introduction: The use of pulsed laser irradiation to simulate the short duration, high-energy conditions characteristic of micrometeorite impacts is now an established approach in experimental space weathering studies. The laser generates both melt and vapor deposits that contain nanophase metallic Fe (npFe(sup 0)) grains with size distributions and optical properties similar to those in natural impact-generated melt and vapor deposits. There remains uncertainty, however, about how well lasers simulate the mechanical work and internal (thermal) energy partitioning that occurs in actual impacts. We are currently engaged in making a direct comparison between the products of laser irradiation and experimental/natural hypervelocity impacts. An initial step reported here is to use analytical TEM is to attain a better understanding of how the microstructure and composition of laser deposits evolve over multiple cycles of pulsed laser irradiation. Experimental Methods: We irradiated pressed-powder pellets of San Carlos olivine (Fo(sub 90)) with up to 99 rastered pulses of a GAM ArF excimer laser. The irradiated surface of the sample were characterized by SEM imaging and areas were selected for FIB cross sectioning for TEM study using an FEI Quanta dual-beam electron/focused ion beam instrument. FIB sections were characterized using a JEOL2500SE analytical field-emission scanning transmission electron microscope (FE-STEM) optimized for quantitative element mapping at less than 10 nm spatial resolutions. Results: In the SEM the 99 pulse pressed pellet sample shows a complex, inhomogeneous, distribution of laser-generated material, largely concentrated in narrow gaps and larger depressions between grains. Local concentrations of npFe0 spherules 0.1 to 1 micrometers in size are visible within these deposits in SEM back-scatter images. Fig. 1 shows bright-field STEM images of a FIB cross-section of a one of these deposits that continuously covers the top and sloping side of an olivine grain. The deposit has 3 microstructurally distinct sub-layers composed of silicate glass with varying modal fractions and size distributions of npFe( sup 0) spherules, along with nanocrystalline silicate material. A relatively thin (50-300 nm) topmost surface layer has a high-concentration of npFe0 spherules 5-20 nm in size. Element mapping shows the layer to be enriched in Fe by a factor of 2.5 relative to the olivine substrate, with Mg and Si depleted by 20% and 10% respectively. This is compositionally complementary to the underlying, middle layer of the deposit that is depleted in Fe, enriched in Mg and has a much lower npFe0 concentration. A third layer of nanocrystalline olivine occurs at the substrate interface. Discussion: The FE-STEM results suggest the topmost layer is a vapor deposit, underlain by a thicker microstructurally complex melt-generated layer. The compositional relations suggest the melt layer was partially vaporized, preferentially losing more volatile elements (e.g., Fe). The vaporized material re-condensed to form the thin, npFe(sup 0)-rich surface deposit during or immediately after the scan cycle. Nanocrystalline olivine that grew within the melt layer as it formed and cooled is similar in volume and microstructure to what we have observed in the impact melt lining of a micrometeorite impact crater in olivine. This suggest the time-temperature relations attained in the laser sample may not be too different from a micrometeorite impact. Our TEM observations, however, do not show evidence for the same level of mechanical dam-age (e.g., fracturing) seen around the natural micrometeorite crater.

A new approach to assess the skier additional stress within a multi-layered snowpack

NASA Astrophysics Data System (ADS)

Monti, Fabiano; Gaume, Johan; van Herwijnen, Alec; Schweizer, Jürg

2014-05-01

The physical and mechanical processes of dry-snow slab avalanche formation can be distinguished into two subsequent phases: failure initiation and crack propagation. Several approaches tried to quantify slab avalanche release probability in terms of failure initiation, based on a simple strength-of-material approach (strength vs. stress). Even if it is known that both weak layer and slab properties play a major role in avalanche release, apart from weak layer characteristics, often only the slab thickness and its average density were considered. For calculating the amount of additional stress (e.g. due to a skier) at the depth of the weak layer, the snow cover was often assumed to be a semi-infinite elastic half space in order to apply Boussinesq's theory. However, finite element (FE) calculations have shown that slab layering strongly influences the stress at depth. To avoid FE calculations, we suggest a new approach based on a simplification of multi-layered elasticity theory. It allows computing the additional stress due to a skier at the depth of the weak layer, taking into account the layering of the snow slab and the substratum. The proposed approach was first tested on simplified snow profiles and compared reasonably well with FE calculations. We then implemented the method to refine the classical skier stability index. Using manually observed snow profiles, classified in different stability classes using stability tests, we obtained a satisfactory discrimination power. Lastly, the refined skier stability index was implemented into the 1-D snow cover model SNOWPACK and presented on two case studies. In the future, it will be interesting to implement the proposed method for describing skier-induced stress within a multi-layered snowpack into more complex models which take into account not only failure initiation but also crack propagation.

Comparative Study of Electronic Structure and Magnetic Properties of Osmate Double Perovskites: Ca2FeOsO6 versus Ca2Co(Ni)OsO6

NASA Astrophysics Data System (ADS)

Samanta, Kartik; Saha-Dasgupta, Tanusri

2018-04-01

Employing density functional theory, we study the trend in the electronic and magnetic properties of 3d-5d double perovskites, upon varying the 3d element for a fixed choice of 5d element, namely Ca2BOsO6 (B = Fe/Co/Ni). While all three compounds are reported to be ferrimagnets, the magnetic transition temperature of Ca2FeOsO6 is reported to be 2-2.4 times larger than that of Ca2CoOsO6 or Ca2NiOsO6. Our first-principles study provides microscopic insight into this trend. This trend is found to be caused by the downward shift in the position of d level energies of the B site element with respect to that of the Os t2g level upon moving across the 3d series from Fe to Co and Ni. This in turn changes the nominal valence of the Os ion from 5+ in Ca2FeOsO6 to 6+ in Ca2CoOsO6 and Ca2NiOsO6, resulting in differing superexchange paths between Ca2FeOsO6 and Ca2Co(Ni)OsO6, and additionally enabling the hybridization-mechanism-driven magnetism in Ca2FeOsO6. These together significantly enhance the magnetic transition temperature in Ca2FeOsO6 compared with that in Ca2Co(Ni)OsO6.

The Abundances of the Fe Group Elements in Early B Stars in the Magellanic Clouds and Our Galaxy

NASA Astrophysics Data System (ADS)

Peters, Geraldine Joan; Adelman, Saul Joseph

2015-08-01

The abundances of the Fe-peak elements (Ti, V, Cr, Mn, Fe, Co, and Ni) are of interest as they are important for assessing opacities for stellar evolution calculations, confirming theoretical calculations of explosive nucleosynthesis, and inferring the past history of supernova activity in a galaxy. FUSE FUV spectra of early B stars in the LMC and SMC and HST/STIS FUV/NUV spectra of nearby B stars in our galaxy are analyzed with the Hubeny/Lanz programs TLUSTY/SYNSPEC to determine abundance for the Fe group elements and produce a map of these abundances in the Magellanic Clouds (MC) and Magellanic Bridge (MB). Except for four weak multiplets of Fe III there are no measurable lines from the Fe group in the optical region. The Fe group species found in the FUV spectra of early B stars are primarily in the second stage of ionization. The best set of lines in the FUSE spectral region are Fe III (UV1), V III 1150 Å, and Cr III 1137 Å. Analysis of the galactic B stars provides a good assessment of the reliability of the atomic parameters that are used for the MC calculations. Twenty-two early B stars in the MC and MB and five in our galaxy were analyzed. In general the Fe group abundances range from solar to slightly below solar in our region of the galaxy. But in the MCs the abundances of V, Cr, and Fe tend to be significantly lower than the mean metal abundances for the galaxy. Maps of the Fe group abundances and their variations in the LMC and SMC, tracers of recent enrichment of the ISM from supernova activity, are shown. Support from NASA grants NAG5-13212, NNX10AD66G, STScI HST-GO-13346.22, and USC’s Women in Science and Engineering (WiSE) program is greatly appreciated.

Computed tomography landmark-based semi-automated mesh morphing and mapping techniques: generation of patient specific models of the human pelvis without segmentation.

PubMed

Salo, Zoryana; Beek, Maarten; Wright, David; Whyne, Cari Marisa

2015-04-13

Current methods for the development of pelvic finite element (FE) models generally are based upon specimen specific computed tomography (CT) data. This approach has traditionally required segmentation of CT data sets, which is time consuming and necessitates high levels of user intervention due to the complex pelvic anatomy. The purpose of this research was to develop and assess CT landmark-based semi-automated mesh morphing and mapping techniques to aid the generation and mechanical analysis of specimen-specific FE models of the pelvis without the need for segmentation. A specimen-specific pelvic FE model (source) was created using traditional segmentation methods and morphed onto a CT scan of a different (target) pelvis using a landmark-based method. The morphed model was then refined through mesh mapping by moving the nodes to the bone boundary. A second target model was created using traditional segmentation techniques. CT intensity based material properties were assigned to the morphed/mapped model and to the traditionally segmented target models. Models were analyzed to evaluate their geometric concurrency and strain patterns. Strains generated in a double-leg stance configuration were compared to experimental strain gauge data generated from the same target cadaver pelvis. CT landmark-based morphing and mapping techniques were efficiently applied to create a geometrically multifaceted specimen-specific pelvic FE model, which was similar to the traditionally segmented target model and better replicated the experimental strain results (R(2)=0.873). This study has shown that mesh morphing and mapping represents an efficient validated approach for pelvic FE model generation without the need for segmentation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Investigation of the spectral properties and magnetism of BiFeO3 by dynamical mean-field theory

NASA Astrophysics Data System (ADS)

Paul, Souvik; Iuşan, Diana; Thunström, Patrik; Kvashnin, Yaroslav O.; Hellsvik, Johan; Pereiro, Manuel; Delin, Anna; Knut, Ronny; Phuyal, Dibya; Lindblad, Andreas; Karis, Olof; Sanyal, Biplab; Eriksson, Olle

2018-03-01

Using the local density approximation plus dynamical mean-field theory (LDA+DMFT), we have computed the valence-band photoelectron spectra and magnetic excitation spectra of BiFeO3, one of the most studied multiferroics. Within the DMFT approach, the local impurity problem is tackled by the exact diagonalization solver. The solution of the impurity problem within the LDA+DMFT method for the paramagnetic and magnetically ordered phases produces result in agreement with the experimental data on electronic and magnetic structures. For comparison, we also present results obtained by the LDA +U approach which is commonly used to compute the physical properties of this compound. Our LDA+DMFT derived electronic spectra match adequately with the experimental hard x-ray photoelectron spectroscopy and resonant photoelectron spectroscopy for Fe 3 d states, whereas the LDA +U method fails to capture the general features of the measured spectra. This indicates the importance of accurately incorporating the dynamical aspect of electronic correlation among Fe 3 d orbitals to reproduce the experimental excitation spectra. Specifically, the LDA+DMFT derived density of states exhibits a significant amount of Fe 3 d states at the position of Bi lone pairs, implying that the latter are not alone in the spectral scenario. This fact might modify our interpretation about the origin of ferroelectric polarization in this material. Our study demonstrates that the combination of orbital cross sections for the constituent elements and broadening schemes for the spectral functions are crucial to explain the detailed structures of the experimental electronic spectra. Our magnetic excitation spectra computed from the LDA+DMFT result conform well with the inelastic neutron scattering data.

Interior Noise Predictions in the Preliminary Design of the Large Civil Tiltrotor (LCTR2)

NASA Technical Reports Server (NTRS)

Grosveld, Ferdinand W.; Cabell, Randolph H.; Boyd, David D.

2013-01-01

A prediction scheme was established to compute sound pressure levels in the interior of a simplified cabin model of the second generation Large Civil Tiltrotor (LCTR2) during cruise conditions, while being excited by turbulent boundary layer flow over the fuselage, or by tiltrotor blade loading and thickness noise. Finite element models of the cabin structure, interior acoustic space, and acoustically absorbent (poro-elastic) materials in the fuselage were generated and combined into a coupled structural-acoustic model. Fluctuating power spectral densities were computed according to the Efimtsov turbulent boundary layer excitation model. Noise associated with the tiltrotor blades was predicted in the time domain as fluctuating surface pressures and converted to power spectral densities at the fuselage skin finite element nodes. A hybrid finite element (FE) approach was used to compute the low frequency acoustic cabin response over the frequency range 6-141 Hz with a 1 Hz bandwidth, and the Statistical Energy Analysis (SEA) approach was used to predict the interior noise for the 125-8000 Hz one-third octave bands.

The origin and evolution of r- and s-process elements in the Milky Way stellar disk

NASA Astrophysics Data System (ADS)

Battistini, Chiara; Bensby, Thomas

2016-02-01

Context. Elements heavier than iron are produced through neutron-capture processes in the different phases of stellar evolution. Asymptotic giant branch (AGB) stars are believed to be mainly responsible for elements that form through the slow neutron-capture process, while the elements created in the rapid neutron-capture process have production sites that are less understood. Knowledge of abundance ratios as functions of metallicity can lead to insight into the origin and evolution of our Galaxy and its stellar populations. Aims: We aim to trace the chemical evolution of the neutron-capture elements Sr, Zr, La, Ce, Nd, Sm, and Eu in the Milky Way stellar disk. This will allow us to constrain the formation sites of these elements, as well as to probe the evolution of the Galactic thin and thick disks. Methods: Using spectra of high resolution (42 000 ≲ R ≲ 65 000) and high signal-to-noise (S/N ≳ 200) obtained with the MIKE and the FEROS spectrographs, we determine Sr, Zr, La, Ce, Nd, Sm, and Eu abundances for a sample of 593 F and G dwarf stars in the solar neighborhood. The abundance analysis is based on spectral synthesis using one-dimensional, plane-parallel, local thermodynamic equilibrium (LTE) model stellar atmospheres calculated with the MARCS 2012 code. Results: We present abundance results for Sr (156 stars), Zr (311 stars), La (242 stars), Ce (365 stars), Nd (395 stars), Sm (280 stars), and Eu (378 stars). We find that Nd, Sm, and Eu show trends similar to what is observed for the α elements in the [X/Fe]-[Fe/H] abundance plane. For [Sr/Fe] and [Zr/Fe], we find decreasing abundance ratios for increasing metallicity, reaching sub-solar values at super-solar metallicities. [La/Fe] and [Ce/Fe] do not show any clear trend with metallicity, and they are close to solar values at all [Fe/H]. The trends of abundance ratios [X/Fe] as a function of stellar ages present different slopes before and after 8 Gyr. Conclusions: The rapid neutron-capture process is active early in the Galaxy, mainly in type-II supernovae from stars in the mass range 8-10 M⊙. Europium is almost completely produced by the r-process, but Nd and Sm show similar trends to Eu even if their s-process component is higher. Strontium and Zr are thought to be mainly produced by the s-process, but show significant enrichment at low metallicity that requires extra r-process production, which probably is different from the classical r-process. Finally, La and Ce are mainly produced via s-process from AGB stars in the mass range 2-4 M⊙, which can be seen by the decrease in [La/Eu] and [Ce/Eu] at [Fe/H] ≈ -0.5. The trend of [X/Fe] with age could be explained by considering that the decrease in [X/Fe] for the thick disk stars can be due to the decrease in type-II supernovae with time, meaning a reduced enrichment of r-process elements in the interstellar medium. In the thin disk, the trends are flatter, which is probably due to the main production from the s-process being balanced by Fe production from type-Ia supernovae. This paper includes data gathered with the 6.5 m Magellan Telescopes at the Las Campanas Observatory, Chile and the ESO 1.5-m, 2.2-m. and 3.6-m telescopes on La Silla, Chile (ESO Proposal ID 65.L-0019, 67.B-0108, 76.B-0416, 82.B-0610); and data from UVES Paranal Observatory Project (ESO DDT Program ID 266.D-5655).Full Tables 3 and 4 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/586/A49

Metal-silicate partitioning and the light element in the core (Invited)

NASA Astrophysics Data System (ADS)

Wood, B. J.; Wade, J.; Tuff, J.

2009-12-01

Most attempts to constrain the concentrations of “light” elements in the Earth’s core rely either on cosmochemical arguments or on arguments based on the densities and equations of state of Fe-alloys containing the element of concern. Despite its utility, the latter approach yields a wide range of permissible compositions and hence weak constraints. The major problem with the cosmochemical approach is that the abundances in the bulk Earth of all the candidate “light” elements- H, C, O, Si and S are highly uncertain because of their volatile behavior during planetary accretion. In contrast, refractory elements appear to be in approximately CI chondritic relative abundances in the Earth. This leads to the potential for using the partitioning of refractory siderophile elements between the mantle and core to constrain the concentrations of light elements in the core. Recent experimental metal-silicate partitioning data, coupled with mantle abundances of refractory siderophile elements (e.g. Wade and Wood, EPSL v.236, 78—95,2005; Kegler et. al. EPSL v.268, 28-40,2008) have shown that the core segregated from the mantle under high pressure conditions (~40 GPa). If a wide range of elements, from very siderophile, (e.g. Mo) through moderately (Ni, Co, W) to weakly siderophile (V, Cr, Nb, Si) are considered, the Earth also appears to have become more oxidized during accretion. Metal-silicate partitioning of some elements is also sensitive to the light element content of the metal. For example, Nb and W partitioning depend strongly on carbon, Mo on silicon and Cr on sulfur. Given the measured mantle abundances of the refractory elements, these observations enable the Si and C contents of the core to be constrained at ~5% and <2% respectively while partitioning is consistent with a cosmochemically-estimated S content of ~2%.

Element Specific Spin and Orbital Moments in Fe1-x Vx Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guan, Y.; Scheck, C; Bailey, W

2009-01-01

We present transmission-mode X-ray magnetic circular dichroism (XMCD) measurements of element-specific magnetic moments for Fe and V at the L2,3 edges in polycrystalline Fe1-xVx ultrathin films. We find that the orbital-to-spin moment ratio of Fe does not change within experimental error. The V XMCD is not very informative, and a nearly pure-spin type V impurity moment ({approx}1.0 {mu}{sub B}/atom, antiparallel to the Fe host moment) is assumed to match known magnetization data. Data are further reduced to a two-sublattice model and found to be compatible with known spectroscopic splitting g-factor data in the alloy. The results confirm that the verymore » low Gilbert damping, attained through the introduction of V into epitaxial Fe1-xVx films and found by ferromagnetic resonance (FMR), does not result from the reduction of orbital moment content in the alloy.« less

Energetic particle abundances in solar electron events

NASA Technical Reports Server (NTRS)

Reames, D. V.; Cane, H. V.; Von Rosenvinge, T. T.

1990-01-01

The results of a comprehensive search of the ISEE 3 energetic particle data for solar electron events with associated increases in elements with atomic number Z = 6 or greater are reported. A sample of 90 such events was obtained. The events support earlier evidence of a bimodal distribution in Fe/O or, more clearly, in Fe/C. Most of the electron events belong to the group that is Fe-rich in comparison with the coronal abundance. The Fe-rich events are frequently also He-3-rich and are associated with type III and type V radio bursts and impulsive solar flares. Fe-poor events are associated with type IV bursts and with interplanetary shocks. With some exceptions, event-to-event enhancements in the heavier elements vary smoothly with Z and with Fe/C. In fact, these variations extend across the full range of events despite inferred differences in acceleration mechanism. The origin of source material in all events appears to be coronal and not photospheric.

Potential human health risk from consumption of metallic elements-contaminated benthic mollusks from Don Hoi Lot sandbar, Thailand.

PubMed

Khidkhan, Kraisiri; Imsilp, Kanjana; Poapolathep, Amnart; Poapolathep, Saranya; Tanhan, Phanwimol

2017-04-15

Environmental pollutants have raised more concerns for human health risk, especially via consumption of contaminated food. Terrestrial as well as aquatic animals are capable of bioaccumulation a variety of toxic substances including metallic elements. With increasing anthropogenic activities along the coastal areas, living organisms have more chances to be exposed to released contaminants. In this study, seven metallic elements (Cd, Cu, Fe, Mn, Ni, Pb and Zn) were determined in sediments and water from Don Hoi Lot sandbar, Samutsongkharm province, Thailand. Potential human health risks via the consumption of two benthic bivalves Solen corneus (Larmarck, 1818) and Meretrix meretrix (Linnaeus, 1758) were also estimated using the target hazard quotients (THQs). The variations of metallic element concentrations were apparent between wet and dry season. Fe was the predominate metallic element in the sediment and the remaining were Mn>Pb>Zn>Ni>Cu>Cd. Whereas metallic element concentrations in water were Pb>Ni>Fe>Zn>Cu>Mn>Cd. PCA analysis confirmed that the contaminations of these metallic elements were from Mae Klong river surface water. Most Pb THQ values in both S. corneus and M. meretrix were >1 indicating that human health risk is of concern. However, the sum of THQs of an individual metallic element should also be considered since multiple metallic elements exposure is so common. Copyright © 2017 Elsevier B.V. All rights reserved.

Inferring episodic atmospheric iron fluxes in the Western South Atlantic

NASA Astrophysics Data System (ADS)

Evangelista, Heitor; Maldonado, Juan; dos Santos, Elaine A.; Godoi, Ricardo H. M.; Garcia, Carlos A. E.; Garcia, Virginia M. T.; Jonhson, Erling; Dias da Cunha, Kenya; Leite, Carlos Barros; Van Grieken, René; Van Meel, Katleen; Makarovska, Yaroslava; Gaiero, Diego M.

2010-02-01

Iron (Fe) and other trace elements such as Zn, Mn, Ni and Cu are known as key-factors in marine biogeochemical cycles. It is believed that ocean primary productivity blooms in iron deficient regions can be triggered by iron in aeolian dust. Up to now, scarce aerosol elemental composition, based on measurements over sea at the Western South Atlantic (WSA), exist. An association between the Patagonian semi-desert dust/Fe and chlorophyll-a variability at the Argentinean continental shelf is essentially inferred from models. We present here experimental data of Fe enriched aerosols over the WSA between latitudes 22°S-62°S, during 4 oceanographic campaigns between 2002 and 2005. These data allowed inferring the atmospheric Fe flux onto different latitudinal bands which varied from 30.4 to 1688 nmolFe m -2 day -1 (October 29th-November 15th, 2003); 5.83-1586 nmolFe m -2 day -1 (February 15th-March 6th, 2004) and 4.73-586 nmolFe m -2 day -1(October 21st-November 5th, 2005).

Phase transformation and magnetic properties of MnAl powders prepared by elemental-doping and salt-assisted ball milling

NASA Astrophysics Data System (ADS)

Qian, Hui-Dong; Si, Ping-Zhan; Choi, Chul-Jin; Park, Jihoon; Cho, Kyung Mox

2018-05-01

The effects of elemental doping of Si and Fe on the ɛ→τ phase transformation and the magnetic properties of MnAl were studied. The magnetic powders of Si- and Fe-doped MnAl were prepared by using induction melting followed by water-quenching, annealing, and salt-assisted ball-milling. The Fe-doped MnAl powders are mainly composed of the L10-structured τ-phase, while the Si-doped MnAl are composed of τ-phase and a small fraction of γ2- and β-phases. A unique thin leaves-like morphology with thickness of several tens of nanometers and diameter size up to 500 nm were observed in the Si-doped MnAl powders. The Fe-doped MnAl powders show irregular shape with much larger dimensions in the range from several to 10 μm. The morphology difference of the samples was ascribed to the variation of the mechanical properties affected by different doping elements. The phase transformation temperatures of the ɛ-phase of the samples were measured. The doping of Fe decreases the onset temperature of the massive phase transformation in MnAl, while the Si-doping increases the massive phase transformation temperature. Both Fe and Si increase the Curie temperature of MnAl. A substantially enhanced coercivity up to 0.45 T and 0.42 T were observed in the ball-milled MnAl powders doped with Si and Fe, respectively.

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'.

Coping with Iron Limitation: A Metabolomic Study of Synechocystis sp. PCC 6803.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rivas-Ubach, Albert; Poret-Peterson, A. T.; Penuel

2018-02-28

Iron (Fe) is a key element for all living systems, especially for photosynthetic organisms because of its important role in the photosynthetic electron transport chain. Fe limitation in cyanobacteria leads to several physiological and morphological changes. However, the overall metabolic responses to Fe limitation are still poorly understood. In this study, we integrated elemental, stoichiometric, macromolecular, and metabolomic data to shed light on the responses of Synechocystis sp. PCC 6803, a non-N2-fixing freshwater cyanobacterium, to Fe limitation. Compared to Synechocystis growing at nutrient replete conditions, Fe-limited cultures had lower growth rates and amounts of chlorophyll a, RNA, RNA:DNA, C, N,more » and P and higher ratios of Protein:RNA, C:N, C:P and N:P, in accordance with the growth rate hypothesis which predicts faster growing organisms will have decreased biomass RNA contents and C:P and N:P ratios. Fe-limited Synechocystis had lower amounts Fe, Mn and Mo, and higher amount of Cu. Several changes in amino acids of cultures growing under Fe limitation suggest nitrogen limitation. Additionally, we found substantial increases in stress-related metabolites in Fe-limited cyanobacteria such antioxidants. This study represents an advance in understanding the stoichiometric, macromolecular and metabolic strategies that cyanobacteria use to cope with Fe limitation. This information, moreover, may further understanding of changes in cyanobacterial functions under scenarios of Fe limitation in aquatic ecosystems.« less

Biogeochemical Cycling of Fe, S, C, N, and Mo in the 3.2 Ga ocean: Constraints from DXCL-DP Black Shales from Pilbara, Western Australia

NASA Astrophysics Data System (ADS)

Yamaguchi, K. E.; Naraoka, H.; Ikehara, M.; Ito, T.; Kiyokawa, S.

2014-12-01

Records of geochemical cycling of bio-essential, redox-sensitive elements have keys to decipher mysteries of the co-evolution of Earth and life. To obtain insight into biogeochemical cycling of those elements and early evolution of microbial biosphere from high-quality samples, we drilled through Mesoarchean strata in coastal Pilbara (Dixon Island-Cleaverville Drilling Project, see Yamaguchi et al., 2009; Kiyokawa et al., 2012), and obtained 3.2 Ga old drillcores (CL1, CL2, and DX) of sulfide-rich black shales in the Cleaverville Group, Pilbara Supergroup. We conducted a systematic geochemical study involving sequential extractions of Fe, S, C, and N for phase-dependent contents (e.g., pyrite-Fe, reactive-Fe, highly reactive-Fe, unreactive-Fe, pyrite-S, sulfate-S, organic-S, elemental-S, Corg, Ccarb, Norg, and Nclay) and their stable isotope compositions, micro FT-IR and laser Raman spectroscopy for extracted kerogen, in addition to major and trace (redox-sensitive; e.g., Mo) element analysis, for >100 samples. Here we integrate our recent multidisciplinary investigations into the redox state of ocean and nature of microbial biosphere in the ocean 3.2 Ga ago. All of the obtained data are very difficult to explain only by geochemical processes in strictly anoxic environments, where both atmosphere and oceans were completely anoxic, like an environment before the inferred "Great Oxidation Event" when pO2 was lower than 0.00001 PAL (e.g., Holland, 1994). Our extensive data set consistently suggests that oxygenic photosynthesis, bacterial sulfate reduction, and microbially mediated redox-cycling of nitrogen, possibly involving denitrification and N2-fixation, are very likely to have been operating, and may be used as a strong evidence for at least local and temporal existence of oxidized environment as far back as 3.2 Ga ago. Modern-style biogeochemical cycling of Fe, S, C, N, and Mo has been operating since then. The atmosphere-hydrosphere system 3.2 Ga ago would have been sufficiently oxidized to allow redox-cycling of elements during deposition of the sediments, ~800 Ma earlier than commonly thought. Our suggestions have far-reaching and astrobiological implications for earlier evolution of the surface environment, especially redox state, and marine microbial biosphere.

Phase identification in boron-containing powder metallurgy steel using EBSD in combination with EPMA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Ming-Wei, E-mail: mwwu@ntut.edu.tw; Cai, Wen-Zhang

2016-03-15

Boron (B) is extensively used to induce liquid phase sintering (LPS) in powder metallurgy (PM) steels and thereby increase the densification. The alloying elements in B-containing PM steels affect the boride phase, stability of the boride, the temperature of liquid formation, and the progress of LPS. However, the boride phase has not been systematically identified yet. The main objective of this study was to clarify the influences of alloying elements, including C, Cr, and Ni, on the boride phases using electron backscatter diffraction (EBSD) in combination with electron probe microanalysis (EPMA). Network structures consisting of ferrite, Fe{sub 2}B boride, andmore » Fe{sub 3}C carbide were extensively observed in the Fe–0.4B–0.5C steel. The portions of Fe{sub 2}B were sufficiently larger than those of Fe{sub 3}C, and Fe{sub 3}C was mostly distributed at the interfaces between ferrite and Fe{sub 2}B. Adding 1.5 wt.% Cr or 1.8 wt.% Ni to Fe–0.4B–0.5C steel completely changes the Fe{sub 2}B and Fe{sub 3}C phases to a M{sub 3}(B,C) phase, where M represents the metallic elements, including Fe, Cr, Mo, and Ni. Furthermore, Cr, Mo, B, and C atoms tend to concentrate on the M{sub 3}(B,C) phase, but Ni atoms do not. - Highlights: • Network structures consisting of ferrite, Fe{sub 2}B boride, and Fe{sub 3}C carbide were extensively observed in the Fe–0.4B–0.5C steel. • Adding 1.5 wt.% Cr or 1.8 wt.% Ni to Fe–0.4B–0.5C steel completely transforms the Fe{sub 2}B and Fe{sub 3}C phases to a M{sub 3}(B,C) phase. • Cr, Mo, B, and C atoms tend to concentrate on the M{sub 3}(B,C) phase, but Ni atoms do not.« less

Dysprosium-free melt-spun permanent magnets.

PubMed

Brown, D N; Wu, Z; He, F; Miller, D J; Herchenroeder, J W

2014-02-12

Melt-spun NdFeB powders can be formed into a number of different types of permanent magnet for a variety of applications in electronics, automotive and clean technology industries. The melt-spinning process produces flake powder with a fine uniform array of nanoscale Nd2Fe14B grains. These powders can be net-shape formed into isotropic polymer-bonded magnets or hot formed into fully dense magnets. This paper discusses the influence of heavy rare earth elements and microstructure on the magnetic performance, thermal stability and material cost of NdFeB magnets. Evidence indicates that melt-spun nanocrystalline NdFeB magnets are less dependent on heavy rare earth elements for high-temperature performance than the alternative coarser-grained sintered NdFeB magnets. In particular, hot-pressed melt-spun magnets are an attractive low-cost solution for applications that require thermal stability up to 175-200 °C.

Morphing the feature-based multi-blocks of normative/healthy vertebral geometries to scoliosis vertebral geometries: development of personalized finite element models.

PubMed

Hadagali, Prasannaah; Peters, James R; Balasubramanian, Sriram

2018-03-01

Personalized Finite Element (FE) models and hexahedral elements are preferred for biomechanical investigations. Feature-based multi-block methods are used to develop anatomically accurate personalized FE models with hexahedral mesh. It is tedious to manually construct multi-blocks for large number of geometries on an individual basis to develop personalized FE models. Mesh-morphing method mitigates the aforementioned tediousness in meshing personalized geometries every time, but leads to element warping and loss of geometrical data. Such issues increase in magnitude when normative spine FE model is morphed to scoliosis-affected spinal geometry. The only way to bypass the issue of hex-mesh distortion or loss of geometry as a result of morphing is to rely on manually constructing the multi-blocks for scoliosis-affected spine geometry of each individual, which is time intensive. A method to semi-automate the construction of multi-blocks on the geometry of scoliosis vertebrae from the existing multi-blocks of normative vertebrae is demonstrated in this paper. High-quality hexahedral elements were generated on the scoliosis vertebrae from the morphed multi-blocks of normative vertebrae. Time taken was 3 months to construct the multi-blocks for normative spine and less than a day for scoliosis. Efforts taken to construct multi-blocks on personalized scoliosis spinal geometries are significantly reduced by morphing existing multi-blocks.

Trace element and strontium isotope characteristics of volcanic rocks from Isla Tortuga: a young seamount in the Gulf of California

USGS Publications Warehouse

Batiza, Rodey; Futa, K.; Hedge, C.E.

1979-01-01

Isla Tortuga is a small isolated central volcano which is located near an actively spreading trough in the Gulf of California. The basalt lavas from Tortuga which have the highest Mg/Fe and Ni contents have trace element abundances and ratios and 87Sr/86Sr which are similar to those of mid-ocean ridge tholeiite. The major element, rare earth element and Sr abundances of fractionated tholeiite (low Mg/Fe) and tholeiitic andesite of Tortuga are consistent with an origin by closed-system fractional crystallization. This hypothesis is not supported by K, Na, Rb and Ba abundances in the lavas nor by their variable 87Sr/86Sr (0.7024-0.7035). It is proposed that the apparent decoupling of light rare earth elements, other incompatible trace elements and 87Sr/86Sr is due to contamination of some Tortuga magmas while they are fractionated in a high-level crustal magma chamber. The mantle source of least-contaminated, high Mg/Fe basalt lavas of Tortuga is similar, although not identical to the source of normal mid-ocean ridge tholeiite; significant differences exist. The reasons for these differences are not yet known. ?? 1979.

Investigating redox processes under diffusive and advective flow conditions using a coupled omics and synchrotron approach

NASA Astrophysics Data System (ADS)

Kemner, K. M.; Boyanov, M.; Flynn, T. M.; O'Loughlin, E. J.; Antonopoulos, D. A.; Kelly, S.; Skinner, K.; Mishra, B.; Brooks, S. C.; Watson, D. B.; Wu, W. M.

2015-12-01

FeIII- and SO42--reducing microorganisms and the mineral phases they produce have profound implications for many processes in aquatic and terrestrial systems. In addition, many of these microbially-catalysed geochemical transformations are highly dependent upon introduction of reactants via advective and diffusive hydrological transport. We have characterized microbial communities from a set of static microcosms to test the effect of ethanol diffusion and sulfate concentration on UVI-contaminated sediment. The spatial distribution, valence states, and speciation of both U and Fe were monitored in situ throughout the experiment by synchrotron x-ray absorption spectroscopy, in parallel with solution measurements of pH and the concentrations of sulfate, ethanol, and organic acids. After reaction initiation, a ~1-cm thick layer of sediment near the sediment-water (S-W) interface became visibly dark. Fe XANES spectra of the layer were consistent with the formation of FeS. Over the 4 year duration of the experiment, U LIII-edge XANES indicated reduction of U, first in the dark layer and then throughout the sediment. Next, the microcosms were disassembled and samples were taken from the overlying water and different sediment regions. We extracted DNA and characterized the microbial community by sequencing 16S rRNA gene amplicons with the Illumina MiSeq platform and found that the community evolved from its originally homogeneous composition, becoming significantly spatially heterogeneous. We have also developed an x-ray accessible column to probe elemental transformations as they occur along the flow path in a porous medium with the purpose of refining reactive transport models (RTMs) that describe coupled physical and biogeochemical processes in environmental systems. The elemental distribution dynamics and the RTMs of the redox driven processes within them will be presented.

Multiscale Modeling of Carbon Nanotube-Epoxy Nanocomposites

NASA Astrophysics Data System (ADS)

Fasanella, Nicholas A.

Epoxy-composites are widely used in the aerospace industry. In order to improve upon stiffness and thermal conductivity; carbon nanotube additives to epoxies are being explored. This dissertation presents multiscale modeling techniques to study the engineering properties of single walled carbon nanotube (SWNT)-epoxy nanocomposites, consisting of pristine and covalently functionalized systems. Using Molecular Dynamics (MD), thermomechanical properties were calculated for a representative polymer unit cell. Finite Element (FE) and orientation distribution function (ODF) based methods were used in a multiscale framework to obtain macroscale properties. An epoxy network was built using the dendrimer growth approach. The epoxy model was verified by matching the experimental glass transition temperature, density, and dilatation. MD, via the constant valence force field (CVFF), was used to explore the mechanical and dilatometric effects of adding pristine and functionalized SWNTs to epoxy. Full stiffness matrices and linear coefficient of thermal expansion vectors were obtained. The Green-Kubo method was used to investigate the thermal conductivity as a function of temperature for the various nanocomposites. Inefficient phonon transport at the ends of nanotubes is an important factor in the thermal conductivity of the nanocomposites, and for this reason discontinuous nanotubes were modeled in addition to long nanotubes. To obtain continuum-scale elastic properties from the MD data, multiscale modeling was considered to give better control over the volume fraction of nanotubes, and investigate the effects of nanotube alignment. Two methods were considered; an FE based method, and an ODF based method. The FE method probabilistically assigned elastic properties of elements from the MD lattice results based on the desired volume fraction and alignment of the nanotubes. For the ODF method, a distribution function was generated based on the desired amount of nanotube alignment; and the stiffness matrix was calculated. A rule of mixture approach was implemented in the ODF model to vary the SWNT volume fraction. Both the ODF and FE models are compared and contrasted. ODF analysis is significantly faster for nanocomposites and is a novel contribution in this thesis. Multiscale modeling allows for the effects of nanofillers in epoxy systems to be characterized without having to run costly experiments.

Identification and recovery of rare-earth permanent magnets from waste electrical and electronic equipment.

PubMed

Lixandru, A; Venkatesan, P; Jönsson, C; Poenaru, I; Hall, B; Yang, Y; Walton, A; Güth, K; Gauß, R; Gutfleisch, O

2017-10-01

Nd-Fe-B permanent magnets are a strategic material for a number of emerging technologies. They are a key component in the most energy efficient electric motors and generators, thus, they are vital for energy technologies, industrial applications and automation, and future forms of mobility. Rare earth elements (REEs) such as neodymium, dysprosium and praseodymium are also found in waste electrical and electronic equipment (WEEE) in volumes that grow with the technological evolution, and are marked as critical elements by the European Commission due to their high economic importance combined with significant supply risks. Recycling could be a good approach to compensate for the lack of rare earths (REs) on the market. However, less than 1% of REs are currently being recycled, mainly because of non-existing collection logistics, lack of information about the quantity of RE materials available for recycling and recycling-unfriendly product designs. To improve these lack of information, different waste streams of electrical and electronic equipment from an industrial recycling plant were analyzed in order to localize, identify and collect RE permanent magnets of the Nd-Fe-B type. This particular type of magnets were mainly found in hard disk drives (HDDs) from laptops and desktop computers, as well as in loudspeakers from compact products such as flat screen TVs, PC screens, and laptops. Since HDDs have been investigated thoroughly by many authors, this study focusses on other potential Nd-Fe-B resources in electronic waste. The study includes a systematic survey of the chemical composition of the Nd-Fe-B magnets found in the selected waste streams, which illustrates the evolution of the Nd-Fe-B alloys over the years. The study also provides an overview over the types of magnets integrated in different waste electric and electronic equipment. Copyright © 2017 Elsevier Ltd. All rights reserved.

A non-contacting approach for full field dynamic strain monitoring of rotating structures using the photogrammetry, finite element, and modal expansion techniques

NASA Astrophysics Data System (ADS)

Baqersad, Javad

Health monitoring of rotating structures such as wind turbines and helicopter rotors is generally performed using conventional sensors that provide a limited set of data at discrete locations near or on the hub. These sensors usually provide no data on the blades or interior locations where failures may occur. Within this work, an unique expansion algorithm was extended and combined with finite element (FE) modeling and an optical measurement technique to identify the dynamic strain in rotating structures. The merit of the approach is shown by using the approach to predict the dynamic strain on a small non-rotating and rotating wind turbine. A three-bladed wind turbine having 2.3-meter long blades was placed in a semi-built-in boundary condition using a hub, a machining chuck, and a steel block. A finite element model of the three wind turbine blades assembled to the hub was created and used to extract resonant frequencies and mode shapes. The FE model was validated and updated using experimental modal tests. For the non-rotating optical test, the turbine was excited using a sinusoidal excitation, a pluck test, arbitrary impacts on three blades, and random force excitations with a mechanical shaker. The response of the structure to the excitations was measured using three-dimensional point tracking. A pair of high-speed cameras was used to measure the displacement of optical targets on the structure when the blades were vibrating. The measured displacements at discrete locations were expanded and applied to the finite element model of the structure to extract the full-field dynamic strain. The results of the work show an excellent correlation between the strain predicted using the proposed approach and the strain measured with strain-gages for all of the three loading conditions. Similar to the non-rotating case, optical measurements were also preformed on a rotating wind turbine. The point tracking technique measured both rigid body displacement and flexible deformation of the blades at target locations. The measured displacements were expanded and applied to the finite element model of the turbine to extract full-field dynamic strain on the structure. In order to validate the results for the rotating turbine, the predicted strain was compared to strain measured at four locations on the spinning blades using a wireless strain-gage system. The approach used in this work to predict the strain showed higher accuracy than measurements obtainable by using the digital image correlation technique. The new expansion approach is able to extract dynamic strain all over the entire structure, even inside the structure beyond the line of sight of the measurement system. Because the method is based on a non-contacting measurement approach, it can be readily applied to a variety of structures having different boundary and operating conditions, including rotating blades.

Robust Hybrid Finite Element Methods for Antennas and Microwave Circuits

NASA Technical Reports Server (NTRS)

Gong, J.; Volakis, John L.

1996-01-01

One of the primary goals in this dissertation is concerned with the development of robust hybrid finite element-boundary integral (FE-BI) techniques for modeling and design of conformal antennas of arbitrary shape. Both the finite element and integral equation methods will be first overviewed in this chapter with an emphasis on recently developed hybrid FE-BI methodologies for antennas, microwave and millimeter wave applications. The structure of the dissertation is then outlined. We conclude the chapter with discussions of certain fundamental concepts and methods in electromagnetics, which are important to this study.

Insights into Mercury's interior structure from geodesy measurements

NASA Astrophysics Data System (ADS)

Rivoldini, A.; Van Hoolst, T.; Trinh, A.

2013-09-01

The measurements of the gravitational field of Mercury by MESSENGER [1] and improved measurements of the spin state of Mercury [2] provide important constraints on the interior structure of Mercury. In particular, these data give strong constraints on the radius and density of Mercury's core and on the core's concentration of sulfur if sulfur is the only light element in the core [3]. Although sulfur is ubiquitously invoked as being the principal candidate light element in terrestrial planet's cores its abundance in the core depends on the redox conditions during planetary formation. MESSENGER data from remote sensing of Mercury's surface [4] indicate a high abundance of sulfur and confirm the low abundance in FeO supporting the hypotheses that Mercury formed under reducing conditions [5]. Therefore, substantial amounts of other light elements like for instance silicon could be present together with sulfur inside Mercury's core. Unlike sulfur, which does almost not partition into solid iron under Mercury's core pressure and temperature conditions, silicon partitions virtually equally between solid and liquid iron. Thus, if silicon is the only light element inside the core, the density jump at the inner-core outer-core boundary is significantly smaller if compared to an Fe - FeS core. If both silicon and sulfur are present inside Mercury's core then as a consequence of a large immiscibility region in liquid Fe - Si - S at Mercury's core conditions and for specific concentrations of light elements [6] a thin layer much enriched in sulfur and depleted in silicon could form at the top of the core. In this study we analyze interior structure models with silicon as the only light element in the core and with both silicon and sulfur in the core. Compared to models with Fe - FeS both settings have different mass distributions within their cores and will likely deform differently due to different elastic properties. Consequently their libration and tides will be different. Here we will use the measured 88 day libration amplitude and polar moment of inertia of Mercury in order to constrain the interior structure of both settings and calculate their tides.

The Role of Anionogenic Elements (As, Sb, Mo, Se, S, P, N, Cl, F, C) In The Formation of Technogenic Geochemical Anomalies

NASA Astrophysics Data System (ADS)

Abrosimova, Natalya; Bortnikova, Svetlana

2017-12-01

The study was conducted on the example of sulphide-containing mine tailings with a varying amount of sulphide and arsenide minerals, from three distinct tailings dumps situated in Russia: Karabash Mine Site, South Ural; Komsomolsk tailings impoundment, Kemerovo region; Khovu-Aksy mine site, Tuva Republic. The aim of the study was to compare the mobility of anionogenic elements (As, Sb, Mo, Se, S, P, N, Cl, F, C) and their role in migration, precipitation, and concentration of metals during the water-tailings interaction depending on the physicochemical parameters (pH, Eh) of the medium and the mineral composition of the waste material. Using slightly acidic leaching experiments the quantitative estimation of mobile forms of elements is given. Based on the compositions of the obtained water leaching solutions, aqueous speciation of chemical elements and saturation index of key minerals in the experimental solutions were calculated. The results of calculating forms of chemical elements made it possible to construct series of mobility of metals and metalloids in solutions with different physicochemical parameters. In the alkaline conditions, Sb>As>Cd>Cu>Zn>Fe>Pb, when the medium is acidified, the series changes, As>Cd>Cu>Zn>Pb>Sb>Fe in weakly alkaline conditions, Sb>Mn>As>Zn>Fe however, when the medium is acidified, the series changes to Cd>Mn>Pb>Cu>Zn>Sb>Ni>Fe>As under acidic conditions Cd>Cu>Zn>Pb>Mn>Fe>Se>Mo>Sb>As>Ni. The mineral composition of the tailings was investigated, which will allow to determine the sources of toxic elements and to understand the processes of secondary mineral formation in technogenic objects. Arsenopyrite and pyrite predominate in the heavy fraction of the Komsomolsk tailings impoundment, arsenopyrite grains are often corroded, Sb contained in Sb oxide and Sb sulfide. The pyrite and barite are determined in the solid matter of the Karabash Mine Site and chalcopyrite, sphalerite, tennantite Cu3AsS3, and tetrahedrite (Cu,Fe)12Sb4S13 are determined in the form of inclusions in grains of pyrite.

Trace elements in starter infant formula: dietary intake and safety assessment.

PubMed

Bargellini, Annalisa; Venturelli, Francesco; Casali, Elisabetta; Ferrari, Angela; Marchesi, Isabella; Borella, Paola

2018-01-01

The aim of this study was to investigate the concentrations of five essential (Fe, Mn, Zn, Cu and Se) and four non-essential/toxic elements (Cr, Cd, Ni and Pb) in 35 different starter infant formulas (0-6 months) sold in Italy. In addition, a safety assessment of these trace elements was carried out, by comparing the estimated daily intake (EDI) with the adequate intake (AI) and the provisional tolerable daily intake (PTDI), with a view to provide information on the metal distribution patterns and health risk to infants arising from the consumption of these products. The concentrations were determined by using inductively coupled plasma mass spectrometry after microwave digestion. The concentrations expressed in geometric mean ± geometric standard deviation of Fe (6.17 ± 1.61 mg/L), Zn (6.21 ± 1.31 mg/L), Cu (416.4 ± 1.21 μg/L), Mn (121.5 ± 1.85 μg/L) and Se (13.27 ± 1.67 μg/L) were within legal limits. In spite of this, the mean EDIs of Fe (4.81 mg/day) and Mn (94.75 μg/day) were many times higher than the recommended AI, especially for Mn. Chromium, Ni, Cd and Pb concentrations were not detectable in 11, 37, 57 and 66% of the samples, respectively. Considering the overall sample, the GM ± GSD of these elements were 4.80 ± 5.35 μg/L for Cr, 1.02 ± 11.65 μg/L for Ni, 0.21 ± 14.83 μg/L for Cd and 0.14 ± 17.13 μg/L for Pb. The mean EDIs were far below the respective PTDI. When the safety assessment was based on the 75° percentile level of each elements, all EDIs remained well below the PTDI, with the exception of Cd, whose EDI approached (74.7%), albeit remaining below the PTDI. In conclusion, our results and the increased awareness on the potential risks of excessive Mn and Fe for infants support that an urgent scientific-based definition of the appropriated levels of fortification in formulas is required. Moreover, regular monitoring of all the stages of production of infant formulas is essential in order to limit toxic metal contamination.

Phase constitution in the interfacial region of laser penetration brazed magnesium–steel joints

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miao, Yugang; Han, Duanfeng, E-mail: handuanfeng@gmail.com; Xu, Xiangfang

2014-07-01

The phase constitution in the interfacial region of laser penetration brazed magnesium–steel joints was investigated using electron microscopy. From the distribution of elements, the transition zone was mainly composed of elements Mg and Fe along with some Al and O. Furthermore, the transition layer consisted mainly of intermetallic compounds and metal oxides. The compounds were identified as Al-rich phases, such as Mg{sub 17}Al{sub 12}, Mg{sub 2}Al{sub 3}, FeAl and Fe{sub 4}Al{sub 13}. More noteworthy was that the thickness of the transition layer was determined by Fe–Al compounds. The presence of FeAl and Fe{sub 4}Al{sub 13} was a result of themore » complex processes that were associated with the interfacial reaction of solid steel and liquid Mg–Al alloy. - Highlights: • A technology of laser penetration brazed Mg alloy and steel has been developed. • The interface of Mg/Fe dissimilar joints was investigated using electron microscopy. • The transition layer consisted of intermetallic compounds and metal oxides. • Moreover, the thickness of transition layer was determined by Fe/Al compounds. • The presence of FeAl and Fe{sub 4}Al{sub 13} was associated with the interfacial reaction.« less

Fe/Mn in olivine of carbonaceous meteorites

NASA Technical Reports Server (NTRS)

Steele, Ian M.

1993-01-01

Olivines in primitive meteorites show a range of Fe/Mn both within one grain and among grains suggesting that they have recorded changing conditions during or after growth. Because olivine should be an early forming phase, Fe/Mn is used here to infer these earliest conditions. Initial Fe/Mn in cores of isolated, euhedral forsterite in both C2 and C3 meteorites ranges from 25 to 35 but differs at grain edge. Murchison (C2) forsterites show Fe/Mn approaching 1.0 at the grain edge while Ornans Fe/Mn is near 60 at grain edge. These values are lower than the matrix Fe/Mn for both meteorites and the distinct difference in zoning profile indicates different processes operating during and after grain growth. The Fe/Mn of bulk samples from a particular source such as the Moon is nearly constant. Individual samples show variation suggesting that there is some fractionation of Mn from Fe. Minerals have their individual ranges of Fe/Mn which has been used to recognize different types of olivine within one meteorite. Extreme values of Fe/Mn below 1.0 occur in forsterite from some IDP's, UOC matrix, and C1 meteorites. There are apparently no detailed studies of Fe/Mn variation within single olivine grains. Forsterite grains in C2 and C3 carbonaceous chondrites show complex zoning, and the nearly pure forsterites (Fo greater than approximately 99.5) have high levels of some minor elements including Ti, Al, V, and Sc. There is disagreement on the original source of these grains and both chondrule and vapor growth have been proposed. In addition, there is clear evidence that diffusion has affected the outer margins but in some cases the whole grain. Within the cores, the FeO range is limited, and if growing under constant conditions, the Fe/Mn should be near constant as there is little fractionation of Mn from Fe by forsterite. Additionally, there are apparently no co-crystallizing phases as evidenced by a lack of common inclusions in the forsterites. These observations are now followed by analyses of isolated olivine grains in C2 and C3 meteorites.

The Distribution of Dissolved Iron in the West Atlantic Ocean

PubMed Central

Rijkenberg, Micha J. A.; Middag, Rob; Laan, Patrick; Gerringa, Loes J. A.; van Aken, Hendrik M.; Schoemann, Véronique; de Jong, Jeroen T. M.; de Baar, Hein J. W.

2014-01-01

Iron (Fe) is an essential trace element for marine life. Extremely low Fe concentrations limit primary production and nitrogen fixation in large parts of the oceans and consequently influence ocean ecosystem functioning. The importance of Fe for ocean ecosystems makes Fe one of the core chemical trace elements in the international GEOTRACES program. Despite the recognized importance of Fe, our present knowledge of its supply and biogeochemical cycle has been limited by mostly fragmentary datasets. Here, we present highly accurate dissolved Fe (DFe) values measured at an unprecedented high intensity (1407 samples) along the longest full ocean depth transect (17500 kilometers) covering the entire western Atlantic Ocean. DFe measurements along this transect unveiled details about the supply and cycling of Fe. External sources of Fe identified included off-shelf and river supply, hydrothermal vents and aeolian dust. Nevertheless, vertical processes such as the recycling of Fe resulting from the remineralization of sinking organic matter and the removal of Fe by scavenging still dominated the distribution of DFe. In the northern West Atlantic Ocean, Fe recycling and lateral transport from the eastern tropical North Atlantic Oxygen Minimum Zone (OMZ) dominated the DFe-distribution. Finally, our measurements showed that the North Atlantic Deep Water (NADW), the major driver of the so-called ocean conveyor belt, contains excess DFe relative to phosphate after full biological utilization and is therefore an important source of Fe for biological production in the global ocean. PMID:24978190

Exposure of women to trace elements through the skin by direct contact with underwear clothing.

PubMed

Nguyen, Thao; Saleh, Mahmoud A

2017-01-02

Heavy metals pose a potential danger to human health when present in textile materials. In the present study, inductive coupled plasma mass spectrometry (ICPMS) was used to determine the concentrations and the identity of extractable inorganic elements from different brands of women undergarments. A total of 120 samples consisting of 63 cottons, 44 nylons and 13 polyesters manufactured in 14 different countries having different colors were analyzed for their extractable metals contents. Elements analyzed were Ag, Al, As, Ba, Be, Bi, Ca, Cd, Co, Cr, Cu, Fe, Hg, K, Li, Mg, Mn, Na, Ni, Pb, Sb, Se, Sr, Ti, V and Zn. Cotton undergarments were rich in Al, Fe and Zn, nylon undergarments had high levels of Cr, Cu and Al, while polyester fabrics contained higher levels of Ni and Fe compared to cotton or nylon. With respect to manufacturing countries, China, Egypt and India showed the highest concentrations of metals in all fabrics. With respect to the color, black garments were characteristic by high concentration of Fe, blue colors with Cu, brown garments with Fe and Cu, green garments with Cu and Fe, pink garments with Al, purple garments with Al and Cu and red garments with Cr, Zn and Al. The consumer should be made aware of the potential dangers of these metals in their clothing.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Chun-Yaung; Perez, Danny; Voter, Arthur F., E-mail: afv@lanl.gov

Nuclear quantum effects are important for systems containing light elements, and the effects are more prominent in the low temperature regime where the dynamics also becomes sluggish. We show that parallel replica (ParRep) dynamics, an accelerated molecular dynamics approach for infrequent-event systems, can be effectively combined with ring-polymer molecular dynamics, a semiclassical trajectory approach that gives a good approximation to zero-point and tunneling effects in activated escape processes. The resulting RP-ParRep method is a powerful tool for reaching long time scales in complex infrequent-event systems where quantum dynamics are important. Two illustrative examples, symmetric Eckart barrier crossing and interstitial heliummore » diffusion in Fe and Fe–Cr alloy, are presented to demonstrate the accuracy and long-time scale capability of this approach.« less

Geochemistry of approximately 1.9 Ga sedimentary rocks from northeastern Labrador, Canada

NASA Technical Reports Server (NTRS)

Hayashi, K. I.; Fujisawa, H.; Holland, H. D.; Ohmoto, H.

1997-01-01

Fifty-eight rock chips from fifteen samples of sedimentary rocks from the Ramah Group (approximately 1.9 Ga) in northeastern Labrador, Canada, were analyzed for major and minor elements, including C and S, to elucidate weathering processes on the Earth's surface about 1.9 Ga ago. The samples come from the Rowsell Harbour, Reddick Bight, and Nullataktok Formations. Two rock series, graywackes-gray shales of the Rowsell Harbour, Reddick Bight and Nullataktok Formations, and black shales of the Nullataktok Formation, are distinguishable on the basis of lithology, mineralogy, and major and trace element chemistry. The black shales show lower concentrations than the graywackes-gray shales in TiO2 (0.3-0.7 wt% vs. 0.7-1.8 wt%), Al2O3 (9.5-20.1 wt% vs. 13.0-25.0 wt%), and sigma Fe (<1 wt% vs. 3.8-13.9 wt% as FeO). Contents of Zr, Th, U, Nb, Ce, Y, Rb, Y, Co, and Ni are also lower in the black shales. The source rocks for the Ramah Group sediments were probably Archean gneisses with compositions similar to those in Labrador and western Greenland. The major element chemistry of source rocks for the Ramah Group sedimentary rocks was estimated from the Al2O3/TiO2 ratios of the sedimentary rocks and the relationship between the major element contents (e.g., SiO2 wt%) and Al2O3/TiO2 ratios of the Archean gneisses. This approach is justified, because the Al/Ti ratios of shales generally retain their source rock values; however, the Zr/Al, Zr/Ti, and Cr/Ni ratios fractionate during the transport of sediments. The measured SiO2 contents of shales in the Ramah Group are generally higher than the estimated SiO2 contents of source rocks by approximately 5 wt%. This correction may also have to be applied when estimating average crustal compositions from shales. Two provenances were recognized for the Ramah Group sediments. Provenance I was comprised mostly of rocks of bimodal compositions, one with SiO2 contents approximately 45 wt% and the other approximately 65 wt%, and was the source for most sedimentary rocks of the Ramah Group, except for black shales of the Nullataktok Formation. The black shales were apparently derived from Provenance II that was comprised mostly of felsic rocks with SiO2 contents approximately 65 wt%. Comparing the compositions of the Ramah Group sedimentary rocks and their source rocks, we have recognized that several major elements, especially Ca and Mg, were lost almost entirely from the source rocks during weathering and sedimentation. Sodium and potassium were also leached almost entirely during the weathering of the source rocks. However, significant amounts of Na were added to the black shales and K to all the rock types during diagenesis and/or regional metamorphism. The intensity of weathering of source rocks for the Ramah Group sediments was much higher than that of typical Phanerozoic sediments, possibly because of a higher PCO2 in the Proterozoic atmosphere. Compared to the source rock values, the Fe3+/Ti ratios of many of the graywackes and gray shales of the Ramah Group are higher, the Fe2+/Ti ratios are lower, and the sigma Fe/Ti ratios are the same. Such characteristics of the Fe geochemistry indicate that these sedimentary rocks are comprised of soils formed by weathering of source rocks under an oxygen-rich atmosphere. The atmosphere about 1.9 Ga was, therefore, oxygen rich. Typical black shales of Phanerozoic age exhibit positive correlations between the organic C contents and the concentrations of S, U, and Mo, because these elements are enriched in oxygenated seawater and are removed from seawater by organic matter in sediments. However, such correlations are not found in the Ramah Group sediments. Black shales of the Ramah Group contain 1.7-2.8 wt% organic C, but are extremely depleted in sigma Fe (<1 wt% as FeO), S (<0.3 wt%), U (approximately l ppm), Mo (<5 ppm), Ni (<2 ppm), and Co (approximately 0 ppm). This lack of correlation, however, does not imply that the approximately 1.9 Ga atmosphere-ocean system was anoxic. Depletion of these elements from the Ramah Group sediments may have occurred during diagenesis.

Iron in non-hydroxyl radical mediated photochemical processes for dye degradation: Catalyst or inhibitor?

PubMed

Wu, Bingdang; Zhang, Shujuan; Li, Xuchun; Liu, Xitong; Pan, Bingcai

2015-07-01

The acetylacetone (AA) mediated photochemical process has been proven as an efficient approach for decoloration. For azo dyes, the UV/AA process was several to more than ten times more efficient than the UV/H2O2 process. Iron is one of the most common elements on the earth. It is well known that iron can improve the UV/H2O2 process through thermal Fenton and photo-Fenton reactions. What will be the role of iron in the UV/AA process? Could iron-AA complexes act as photocatalysts in environmental remediation? To answer these questions, the photo-degradation of an azo dye, Acid Orange 7 (AO7), was conducted under the variant combinations of AA with iron species in both ionic (Fe2+, Fe3+) and complex (Fe(AA)3) forms. The pseudo-first-order decoloration rate constants of AO7 in these photochemical processes followed such an order: UV/Fe(II)/AA

A finite-element simulation of galvanic coupling intra-body communication based on the whole human body.

PubMed

Song, Yong; Zhang, Kai; Hao, Qun; Hu, Lanxin; Wang, Jingwen; Shang, Fuzhou

2012-10-09

Simulation based on the finite-element (FE) method plays an important role in the investigation of intra-body communication (IBC). In this paper, a finite-element model of the whole body model used for the IBC simulation is proposed and verified, while the FE simulation of the galvanic coupling IBC with different signal transmission paths has been achieved. Firstly, a novel finite-element method for modeling the whole human body is proposed, and a FE model of the whole human body used for IBC simulation was developed. Secondly, the simulations of the galvanic coupling IBC with the different signal transmission paths were implemented. Finally, the feasibility of the proposed method was verified by using in vivo measurements within the frequency range of 10 kHz-5 MHz, whereby some important conclusions were deduced. Our results indicate that the proposed method will offer significant advantages in the investigation of the galvanic coupling intra-body communication.

A Finite-Element Simulation of Galvanic Coupling Intra-Body Communication Based on the Whole Human Body

PubMed Central

Song, Yong; Zhang, Kai; Hao, Qun; Hu, Lanxin; Wang, Jingwen; Shang, Fuzhou

2012-01-01

Simulation based on the finite-element (FE) method plays an important role in the investigation of intra-body communication (IBC). In this paper, a finite-element model of the whole body model used for the IBC simulation is proposed and verified, while the FE simulation of the galvanic coupling IBC with different signal transmission paths has been achieved. Firstly, a novel finite-element method for modeling the whole human body is proposed, and a FE model of the whole human body used for IBC simulation was developed. Secondly, the simulations of the galvanic coupling IBC with the different signal transmission paths were implemented. Finally, the feasibility of the proposed method was verified by using in vivo measurements within the frequency range of 10 kHz–5 MHz, whereby some important conclusions were deduced. Our results indicate that the proposed method will offer significant advantages in the investigation of the galvanic coupling intra-body communication. PMID:23202010

Characterization of elemental and structural composition of corrosion scales and deposits formed in drinking water distribution systems.

PubMed

Peng, Ching-Yu; Korshin, Gregory V; Valentine, Richard L; Hill, Andrew S; Friedman, Melinda J; Reiber, Steve H

2010-08-01

Corrosion scales and deposits formed within drinking water distribution systems (DWDSs) have the potential to retain inorganic contaminants. The objective of this study was to characterize the elemental and structural composition of extracted pipe solids and hydraulically-mobile deposits originating from representative DWDSs. Goethite (alpha-FeOOH), magnetite (Fe(3)O(4)) and siderite (FeCO(3)) were the primary crystalline phases identified in most of the selected samples. Among the major constituent elements of the deposits, iron was most prevalent followed, in the order of decreasing prevalence, by sulfur, organic carbon, calcium, inorganic carbon, phosphorus, manganese, magnesium, aluminum and zinc. The cumulative occurrence profiles of iron, sulfur, calcium and phosphorus for pipe specimens and flushed solids were similar. Comparison of relative occurrences of these elements indicates that hydraulic disturbances may have relatively less impact on the release of manganese, aluminum and zinc, but more impact on the release of organic carbon, inorganic carbon, and magnesium. (c) 2010 Elsevier Ltd. All rights reserved.

Geochemical and mineralogical composition of bog iron ore as a resource for prehistoric iron production - A case study of the Widawa catchment area in Eastern Silesia, Poland

NASA Astrophysics Data System (ADS)

Thelemann, Michael; Bebermeier, Wiebke; Hoelzmann, Philipp

2016-04-01

Spreading from the Near East in the declining Bronze Age from the 2nd millennium BCE onwards, the technique of iron smelting reached Eastern Silesia, Poland, in approximately the 2nd century BCE (pre-Roman Iron Age). At this time the region of the Widawa catchment area was inhabited by the Przeworsk culture. While the older moraine landscape of the study area lacks ores from geological rock formations, bog iron ores were relatively widespread and, due to their comparatively easy accessibility, were commonly exploited for early iron production. In this poster the mineralogical and elemental composition of local bog iron ore deposits and iron slag finds, as a by-product of the smelting process, are investigated. The crystalline mineralogical composition of local bog iron ores is dominated by quartz (SiO2) and goethite (α FeO(OH)), in contrast to slag samples in which fayalite (Fe2SiO4), wüstite (FeO) and quartz, with traces of goethite, represent the main minerals. Ores and slags are both characterized by notable hematite (Fe2O3), magnetite (Fe3O4) and maghemite (γ-Fe2O3) contents. Analyzed bog iron ore samples show iron contents of up to 64.9 mass% Fe2O3 (45.4 mass% Fe), whereas the iron contents of bloomery slags vary between 48.7 and 72.0 mass% FeO (37.9 and 56.0 mass% Fe). A principal component analysis of the element contents, which were quantified by portable energy-dispersive X-ray fluorescence spectrometry (p-ED-XRF), indicates local variations in the elemental composition. Our results show that bog iron ores are relatively widely distributed with spatially varying iron contents along the Widawa floodplain but present-day formation conditions (e.g. different ground-water levels) are negatively affected by modern land-use practices, such as agriculture and melioration measures.

High purity Fe3O4 from Local Iron Sand Extraction

NASA Astrophysics Data System (ADS)

Gunanto, Y. E.; Izaak, M. P.; Jobiliong, E.; Cahyadi, L.; Adi, W. A.

2018-04-01

Indonesia has a long coastline and is rich with iron sand. The iron sand is generally rich in various elements such as iron and titanium. One of the products processing of the iron sand mineral is iron (II) (III) oxide (magnetite Fe3O4). The stages of purification process to extracting magnetite phase and discarding the other phases has been performed. Magnetite phase analysis of ironsand extraction retrieved from Indonesia have been investigated. The result of analysis element of iron sand shows that it consists of majority Fe around 65 wt%. However, there are still 17 impurities such as Ti, Al, Ce, Co, Cr, Eu, La, Mg, Mn, Na, Sc, Sm, Th, V, Yb, and Zn. After extraction process, Fe element content increases up to 94%. The iron sand powder after milling for 10 hours and separating using a magnetic separator, the iron sand powders are dissolved in acid chloride solution to form a solution of iron chloride, and this solution is sprinkled with sodium hydroxide to obtain fine powders of Fe3O4. The fine powders which formed were washed with de-mineralization water. The X-ray diffraction pattern shows that the fine powders have a single phase of Fe3O4. The analysis result shows that the sample has the chemical formula: Fe3O4 with a cubic crystal system, space group: Fd-3m and lattice parameters: a = b = c = 8.3681 (1) Å, α = β = γ = 90°. The microstructure analysis shows that the particle of Fe3O4 homogeneously shaped like spherical. The magnetic properties using vibrating sample magnetometer shows that Fe3O4 obtained have ferromagnetic behavior with soft magnetic characteristics. We concluded that this purification of iron sand had been successfully performed to obtain fine powders of Fe3O4 with high purity.

Toxic trace element assessment for soils/sediments deposited during Hurricanes Katrina and Rita from southern Louisiana, USA: a sequential extraction analysis.

PubMed

Shi, Honglan; Witt, Emitt C; Shu, Shi; Su, Tingzhi; Wang, Jianmin; Adams, Craig

2010-07-01

Analysis of soil/sediment samples collected in the southern Louisiana, USA, region three weeks after Hurricanes Katrina and Rita passed was performed using sequential extraction procedures to determine the origin, mode of occurrence, biological availability, mobilization, and transport of trace elements in the environment. Five fractions: exchangeable, bound to carbonates, bound to iron (Fe)-manganese (Mn) oxides, bound to organic matter, and residual, were subsequently extracted. The toxic trace elements Pb, As, V, Cr, Cu, and Cd were analyzed in each fraction, together with Fe in 51 soil/sediment samples. Results indicated that Pb and As were at relatively high concentrations in many of the soil/sediment samples. Because the forms in which Pb and As are present tend to be highly mobile under naturally occurring environmental conditions, these two compounds pose an increased health concern.Vanadium and Cr were mostly associated with the crystal line nonmobile residual fraction. A large portion of the Cu was associated with organic matter and residual fraction. Cadmium concentrations were low in all soil/sediment samples analyzed and most of this element tended to be associated with the mobile fractions. An average of 21% of the Fe was found in the Fe-Mn oxide fraction, indicating that a substantial part of the Fe was in an oxidized form. The significance of the overall finding of the present study indicated that the high concentrations and high availabilities of the potentially toxic trace elements As and Pb may impact the environment and human health in southern Louisiana and, in particular, the New Orleans area. Copyright (c) 2010 SETAC.

Heavy-Element Abundances in Solar Energetic Particle Events

NASA Technical Reports Server (NTRS)

Reames, Donald V.

2004-01-01

We survey the relative abundances of elements with 1 less than or = Z less than or = 82 in solar energetic particle (SEP) events observed at 2 - 10 MeV amu" during nearly 9 years aboard the Wind spacecraft, with special emphasis on enhanced abundances of elements with 2Z greater than or = 34. Abundances of Fe/O again show a bimodal distribution with distinct contributions from impulsive and gradual SEP events as seen in earlier solar cycles. Periods with greatly enhanced abundances of (50 less than or = Z less than or = 56)/O, like those with enhanced He-3/He-4, fall prominently in the Fe-rich population of the impulsive SEP events. In a sample of the 39 largest impulsive events, 25 have measurable enhancements in (50 less than or = Z less than or = 56)/O and (76 less than or = Z less than or = 82)/O, relative to coronal values, ranging from approx. 100 to 10,000. By contrast, in a sample of 45 large gradual events the corresponding enhancements vary from approx. 0.2 to 20. However, the magnitude of the heavy-element enhancements in impulsive events is less striking than their strong correlation with the Fe spectral index and flare size, with the largest enhancements occurring in flares with the steepest Fe spectra, the smallest Fe fluence, and the lowest X-ray intensity, as reported here for the first time Thus it seem that small events with low energy input can produce only steep spectra of the dominant species but accelerate rare heavy elements with great efficiency, probably by selective absorption of resonant waves in the flare plasma. With increased energy input, enhancements diminish, as heavy ions are depleted, and spectra of the dominant species harden.

Heavy-Element Abundances in Solar Energetic Particle Events

NASA Technical Reports Server (NTRS)

Reames, D. V.; Ng, C. K.

2004-01-01

We survey the relative abundances of elements with 1 < or equal to Z < or equal to 82 in solar energetic particle (SEP) events observed at 2-10 MeV/amu during nearly 9 years aboard the Wind spacecraft, with special emphasis on enhanced abundances of elements with Z > or equal to 34. Abundances of Fe/O again show a bimodal distribution with distinct contributions from impulsive and gradual SEP events as seen in earlier solar cycles. Periods with greatly enhanced abundances of (50 < or equal to Z < or equal to 56)/O, like those with enhanced (3)He/(4)He, fall prominently in the Fe-rich population of the impulsive SEP events. In a sample of the 39 largest impulsive events, 25 have measurable enhancements in (50 < or equal to z < or equal to 56)/O and (76 < or equal to Z < or equal to 82)/O, relative to coronal values, ranging from approx. 100 to 10,000. By contrast, in a sample of 45 large gradual events the corresponding enhancements vary from approx. 0.2 to 20. However, the magnitude of the heavy-element enhancements in impulsive events is less striking than their strong correlation with the Fe spectral index and flare size, with the largest enhancements occurring in flares with the steepest Fe spectra, the smallest Fe fluence, and the lowest X-ray intensity, as reported here for the first time. Thus it seems that small events with low energy input can produce only steep spectra of the dominant species but accelerate rare heavy elements with great efficiency, probably by selective absorption of resonant waves in the flare plasma. With increased energy input, enhancements diminish, as heavy ions are depleted, and spectra of the dominant species harden.

Efficient finite element modelling for the investigation of the dynamic behaviour of a structure with bolted joints

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.

Quantifying Spatial Variability of Selected Soil Trace Elements and Their Scaling Relationships Using Multifractal Techniques

PubMed Central

Zhang, Fasheng; Yin, Guanghua; Wang, Zhenying; McLaughlin, Neil; Geng, Xiaoyuan; Liu, Zuoxin

2013-01-01

Multifractal techniques were utilized to quantify the spatial variability of selected soil trace elements and their scaling relationships in a 10.24-ha agricultural field in northeast China. 1024 soil samples were collected from the field and available Fe, Mn, Cu and Zn were measured in each sample. Descriptive results showed that Mn deficiencies were widespread throughout the field while Fe and Zn deficiencies tended to occur in patches. By estimating single multifractal spectra, we found that available Fe, Cu and Zn in the study soils exhibited high spatial variability and the existence of anomalies ([α(q)max−α(q)min]≥0.54), whereas available Mn had a relatively uniform distribution ([α(q)max−α(q)min]≈0.10). The joint multifractal spectra revealed that the strong positive relationships (r≥0.86, P<0.001) among available Fe, Cu and Zn were all valid across a wider range of scales and over the full range of data values, whereas available Mn was weakly related to available Fe and Zn (r≥0.18, P<0.01) but not related to available Cu (r = −0.03, P = 0.40). These results show that the variability and singularities of selected soil trace elements as well as their scaling relationships can be characterized by single and joint multifractal parameters. The findings presented in this study could be extended to predict selected soil trace elements at larger regional scales with the aid of geographic information systems. PMID:23874944

Damage buildup and edge dislocation mobility in equiatomic multicomponent alloys

NASA Astrophysics Data System (ADS)

Granberg, F.; Djurabekova, F.; Levo, E.; Nordlund, K.

2017-02-01

A new class of single phase metal alloys of equal atomic concentrations has shown very promising mechanical properties and good corrosion resistance. Moreover, a significant reduction in damage accumulation during prolonged irradiation has also been observed in these equiatomic multicomponent alloys. A comparison of elemental Ni with the two component NiFe- and the three component NiCoCr-alloy showed a substantial reduction in damage in both alloys, and an even larger difference was seen if only larger clusters were considered. One of the factors limiting the damage build-up in the alloys compared to the elemental material was seen to be dislocation mobility (Granberg et al., 2016). In this Article, we focus on a more thorough investigation of the mobility of edge dislocations in different cases of the Ni-, NiFe- and NiCoCr-samples. We find that even though the saturated amount of defects in the alloys is lower than in elemental Ni, the defect buildup in the early stages is faster in the alloys. We also find that the dislocation mobility in NiFe is lower than in Ni, at low stresses, and that the onset stress in NiFe is higher than in Ni. The same phenomenon was seen in comparison between NiFe and NiCoCr, since the three component alloy had lower dislocation mobility and higher onset stress. The dislocation velocity in elemental Ni plateaued out just under the forbidden velocity, whereas the alloys showed a more complex behaviour.

Supernova Ejecta in the Youngest Galactic Supernova Remnant G1.9+0.3

NASA Technical Reports Server (NTRS)

Borkowski, Kazimierz J.; Reynolds, Stephen P.; Hwang, Una; Green, David A.; Petre, Robert; Krishnamurthy, Kalyani; Willett, Rebecca

2013-01-01

G1.9+0.3 is the youngest known Galactic supernova remnant (SNR), with an estimated supernova (SN) explosion date of approximately 1900, and most likely located near the Galactic Center. Only the outermost ejecta layers with free-expansion velocities (is) approximately greater than 18,000 km s-1 have been shocked so far in this dynamically young, likely Type Ia SNR. A long (980 ks) Chandra observation in 2011 allowed spatially-resolved spectroscopy of heavy-element ejecta. We denoised Chandra data with the spatio-spectral method of Krishnamurthy et al., and used a wavelet based technique to spatially localize thermal emission produced by intermediate-mass elements (IMEs: Si and S) and iron. The spatial distribution of both IMEs and Fe is extremely asymmetric, with the strongest ejecta emission in the northern rim. Fe K alpha emission is particularly prominent there, and fits with thermal models indicate strongly oversolar Fe abundances. In a localized, outlying region in the northern rim, IMEs are less abundant than Fe, indicating that undiluted Fe-group elements (including 56Ni) with velocities greater than 18,000 km s-1 were ejected by this SN. But in the inner west rim, we find Si- and S-rich ejecta without any traces of Fe, so high-velocity products of O-burning were also ejected. G1.9+0.3 appears similar to energetic Type Ia SNe such as SN 2010jn where iron-group elements at such high free-expansion velocities have been recently detected. The pronounced asymmetry in the ejecta distribution and abundance inhomogeneities are best explained by a strongly asymmetric SN explosion, similar to those produced in some recent 3D delayed-detonation Type Ia models.

Finite-element three-dimensional ground-water (FE3DGW) flow model - formulation, program listings and users' manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gupta, S.K.; Cole, C.R.; Bond, F.W.

1979-12-01

The Assessment of Effectiveness of Geologic Isolation Systems (AEGIS) Program is developing and applying the methodology for assessing the far-field, long-term post-closure safety of deep geologic nuclear waste repositories. AEGIS is being performed by Pacific Northwest Laboratory (PNL) under contract with the Office of Nuclear Waste Isolation (OWNI) for the Department of Energy (DOE). One task within AEGIS is the development of methodology for analysis of the consequences (water pathway) from loss of repository containment as defined by various release scenarios. Analysis of the long-term, far-field consequences of release scenarios requires the application of numerical codes which simulate the hydrologicmore » systems, model the transport of released radionuclides through the hydrologic systems to the biosphere, and, where applicable, assess the radiological dose to humans. Hydrologic and transport models are available at several levels of complexity or sophistication. Model selection and use are determined by the quantity and quality of input data. Model development under AEGIS and related programs provides three levels of hydrologic models, two levels of transport models, and one level of dose models (with several separate models). This document consists of the description of the FE3DGW (Finite Element, Three-Dimensional Groundwater) Hydrologic model third level (high complexity) three-dimensional, finite element approach (Galerkin formulation) for saturated groundwater flow.« less

Early chemical enrichment of the Galactic dwarf satellites from a homogeneous and NLTE abundance analysis

NASA Astrophysics Data System (ADS)

Mashonkina, Lyudmila; Jablonka, Pascale; Sitnova, Tatyana; Pakhomov, Yuri; North, Pierre

2018-06-01

We review recent abundance results for very metal-poor (VMP, -4 ≤ [Fe/H] ≤ -2) stars in seven dwarf spheroidal galaxies (dSphs) and in the Milky Way (MW) halo comparison sample that were obtained based on high-resolution spectroscopic datasets, homogeneous and accurate atmospheric parameters, and the non-local thermodynamic equilibrium (NLTE) line formation for 10 chemical species. A remarkable gain of using such an approach is the reduction, compared to a simple compilation of the literature data, of the spread in abundance ratios at given metallicity within each galaxy and from one to the other. We show that all massive galaxies in our sample, that is, the MW halo and the classical dSphs Sculptor, Ursa Minor, Sextans, and Fornax, reveal a similar plateau at [α/Fe] \\simeq 0.3 for each of the α-process elements: Mg, Ca, and Ti. We put on a firm ground the evidence for a decline in α/Fe with increasing metallicity in the Boötes I ultra-faint dwarf galaxy (UFD), that is most probably due to the ejecta of type Ia supernovae. In our classical dSphs, we observe the dichotomy in the [Sr/Ba] versus [Ba/H] diagram, similarly to the MW halo, calling for two different nucleosynthesis channels for Sr at the earliest evolution stages of these galaxies. Our three UFDs, that is Boötes I, UMa II, and Leo IV, are depleted in Sr and Ba relative to Fe and Mg, with very similar ratios of [Sr/Mg] ≈ -1.3 and [Ba/Mg] ≈ -1 on the entire range of their Mg abundances. The subsolar Sr/Ba ratios of Boötes I and UMa II indicate a common r-process origin of their neutron-capture elements. For Na/Fe, Na/Mg, and Al/Mg, the MW halo and all dSphs reveal indistinguishable trends with metallicity, suggesting that the processes of Na and Al synthesis are identical in all systems, independent of their mass. Sculptor remains the classical dSph, in which the evidence for inhomogeneous mixing in the early evolution stage, at [Fe/H] < -2, is the strongest.

AN ELEMENTAL ASSAY OF VERY, EXTREMELY, AND ULTRA-METAL-POOR STARS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hansen, T.; Christlieb, N.; Hansen, C. J.

2015-07-10

We present a high-resolution elemental-abundance analysis for a sample of 23 very metal-poor ([Fe/H] < −2.0) stars, 12 of which are extremely metal-poor ([Fe/H] < −3.0), and 4 of which are ultra-metal-poor ([Fe/H] < −4.0). These stars were targeted to explore differences in the abundance ratios for elements that constrain the possible astrophysical sites of element production, including Li, C, N, O, the α-elements, the iron-peak elements, and a number of neutron-capture elements. This sample substantially increases the number of known carbon-enhanced metal-poor (CEMP) and nitrogen-enhanced metal-poor (NEMP) stars—our program stars include eight that are considered “normal” metal-poor stars, sixmore » CEMP-no stars, five CEMP-s stars, two CEMP-r stars, and two CEMP-r/s stars. One of the CEMP-r stars and one of the CEMP-r/s stars are possible NEMP stars. We detect lithium for three of the six CEMP-no stars, all of which are Li depleted with respect to the Spite plateau. The majority of the CEMP stars have [C/N] > 0. The stars with [C/N] < 0 suggest a larger degree of mixing; the few CEMP-no stars that exhibit this signature are only found at [Fe/H] < −3.4, a metallicity below which we also find the CEMP-no stars with large enhancements in Na, Mg, and Al. We confirm the existence of two plateaus in the absolute carbon abundances of CEMP stars, as suggested by Spite et al. We also present evidence for a “floor” in the absolute Ba abundances of CEMP-no stars at A(Ba) ∼ −2.0.« less

Heavy Element Abundances in Two B0-B0.5 Main Sequence Stars in the Small Magellanic Cloud

NASA Astrophysics Data System (ADS)

Peters, Geraldine J.

We propose FUSE observations of AV304 (B0.5V) and NGC346-637 B0V), two sharp-lined main-sequence stars in the Small Magellanic Cloud, to determine the abundances of heavy elements, especially those of the iron group. The FUSE spectral region contains numerous Fe III lines, including the resonance multiplet (UV 1) near 1130 Angstroms, that is excellent for abundance determinations and two strong multiplets of V III, an ion that does not produce measurable lines longward of 1200 Angstoms, in metal-deficient stars. In addition there are several measurable lines from Cr III and Mn III. A limited analyses of ground-based spectra of these stars by Dufton et al. (1990) and Rolleston et al. (1993) indicated an average underabundance of 0.7-0.8 dex for most light elements and a recent analysis of HSTSTIS data on AV304 by Peters & Grigsby (2001) suggests that the Fe group elements are depleted by the same amount relative to the sun. When combined with the HST-STIS results, this effort will represent the first attempt to measure the abundances of Fe group elements in the photospheres of early B, main sequence stars in an external galaxy. Although abundances of the Fe-peak elements are of interest because they are important for assessing opacities for stellar evolution calculations and the validity of theoretical calculations of explosive nucleosynthesis, the ground-based study did not yield this information because measurable lines from these species are found only in the UV spectral region. Abundances and abundance ratios of both heavy & light elements will be compared with the HST-STIS results from AV304, H II regions, supernova remnants, evolved massive stars in the SMC, and theoretical calculations of nucleosynthesis.

Southern Ocean biological iron cycling in the pre-whaling and present ecosystems.

PubMed

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).

Methodologies for validating ray-based forward model using finite element method in ultrasonic array data simulation

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.

Characterization of Three Carbon- and Nitrogen-Rich Particles from Comet 81P/WILD

NASA Technical Reports Server (NTRS)

Gallien, J.-P.; Khodja, H.; Herzog, G. F.; Taylor, S.; Koepsell, E.; Daghlian, C. P.; Flynn, G. J.; Sitnitsky, I.; Lanzirotti, A.; Sutton, S. R.;

HD 179821 (V1427 Aql, IRAS 19114+0002) - a massive post-red supergiant star?

NASA Astrophysics Data System (ADS)

Şahin, T.; Lambert, David L.; Klochkova, Valentina G.; Panchuk, Vladimir E.

2016-10-01

We have derived elemental abundances of a remarkable star, HD 179821, with unusual composition (e.g. [Na/Fe] = 1.0 ± 0.2 dex) and extra-ordinary spectral characteristics. Its metallicity at [Fe/H] = 0.4 dex places it among the most metal-rich stars yet analysed. The abundance analysis of this luminous star is based on high-resolution and high-quality (S/N ≈ 120-420) optical echelle spectra from McDonald Observatory and Special Astronomy Observatory. The data includes five years of observations over 21 epochs. Standard 1D local thermodynamic equilibrium analysis provides a fresh determination of the atmospheric parameters over all epochs: Teff = 7350 ± 200 K, log g= +0.6 ± 0.3, and a microturbulent velocity ξ = 6.6 ± 1.6 km s-1 and [Fe/H] = 0.4 ± 0.2, and a carbon abundance [C/Fe] = -0.19 ± 0.30. We find oxygen abundance [O/Fe] = -0.25 ± 0.28 and an enhancement of 0.9 dex in N. A supersonic macroturbulent velocity of 22.0 ± 2.0 km s-1 is determined from both strong and weak Fe I and Fe II lines. Elemental abundances are obtained for 22 elements. HD 179821 is not enriched in s-process products. Eu is overabundant relative to the anticipated [X/Fe] ≈ 0.0. Some peculiarities of its optical spectrum (e.g. variability in the spectral line shapes) is noticed. This includes the line profile variations for H α line. Based on its estimated luminosity, effective temperature and surface gravity, HD 179821 is a massive star evolving to become a red supergiant and finally a Type II supernova.

The size distribution of chemical elements of atmospheric aerosol at a semi-rural coastal site in Venice (Italy). The role of atmospheric circulation.

PubMed

Masiol, Mauro; Squizzato, Stefania; Ceccato, Daniele; Pavoni, Bruno

2015-01-01

The concentrations of selected elemental tracers were determined in the aerosol of a semi-rural coastal site near Venice (Italy). Size-segregated aerosol samples were collected using an 8-stage cascade impactor set at 15m above ground, during the cold season (late autumn and winter), when high levels of many pollutants are known to cause risks for human health. From the experimental data, information was extracted on potential pollutant sources by investigating the relationships between elements in the different size fractions. Moreover, an approach to highlight the importance of local atmospheric circulation and air mass origin in influencing the PM composition and fractional distribution is proposed. Anthropogenic elements are strongly inter-correlated in the submicrometric (<1 μm) (S, K, Mn, Cu, Fe and Zn) and intermediate mode (1-4 μm) (Mn, Cu, Zn, Ni) and their relationships highlight the presence of several sources (combustions, secondary aerosol, road traffic). In the intermediate mode, associations having geochemical significance exist between marine (Na, Cl and Mg) and crustal (Si, Mg, Ca, Al, Ti and K) elements. In the coarse mode (>4 μm) Fe and Zn are well correlated and are probably linked to tire and brake wear emissions. Regarding atmospheric circulation, results show increasing levels of elements related to pollution sources (S, K, Mn, Ni, Cu, Zn) when air masses come from Central and Eastern Europe direction and on the ground wind blows from NWN-N-NE (from mainland Venice). Low wind speed and high percentage of wind calm hours favor element accumulation in the submicrometric and intermediate modes. Furthermore, strong winds favor the formation of sea-spray and the increase of Si in the coarse mode due to the resuspension of sand fine particles. Copyright © 2014 Elsevier Ltd. All rights reserved.

Simultaneous biosorption of selenium, arsenic and molybdenum with modified algal-based biochars.

PubMed

Johansson, Charlotte L; Paul, Nicholas A; de Nys, Rocky; Roberts, David A

2016-01-01

Ash disposal waters from coal-fired power stations present a challenging water treatment scenario as they contain high concentrations of the oxyanions Se, As and Mo which are difficult to remove through conventional techniques. In an innovative process, macroalgae can be treated with Fe and processed through slow pyrolysis into Fe-biochar which has a high affinity for oxyanions. However, the effect of production conditions on the efficacy of Fe-biochar is poorly understood. We produced Fe-biochar from two algal sources; "Gracilaria waste" (organic remnants after agar is extracted from cultivated Gracilaria) and the freshwater macroalgae Oedogonium. Pyrolysis experiments tested the effects of the concentration of Fe(3+) in pre-treatment, and pyrolysis temperatures, on the efficacy of the Fe-biochar. The efficacy of Fe-biochar increased with increasing concentrations of Fe(3+) in the pre-treatment solutions, and decreased with increasing pyrolysis temperatures. The optimized Fe-biochar for each biomass was produced by treatment with a 12.5% w/v Fe(3+) solution, followed by slow pyrolysis at 300 °C. The Fe-biochar produced in this way had higher a biosorption capacity for As and Mo (62.5-80.7 and 67.4-78.5 mg g(-1) respectively) than Se (14.9-38.8 mg g(-1)) in single-element mock effluents, and the Fe-biochar produced from Oedogonium had a higher capacity for all elements than the Fe-biochar produced from Gracilaria waste. Regardless, the optimal Fe-biochars from both biomass sources were able to effectively treat Se, As and Mo simultaneously in an ash disposal effluent from a power station. The production of Fe-biochar from macroalgae is a promising technique for treatment of complex effluents containing oxyanions. Copyright © 2015 Elsevier Ltd. All rights reserved.

Dissolved and colloidal trace elements in the Mississippi River Delta outflow after Hurricanes Katrina and Rita

USGS Publications Warehouse

Shim, Moo-Joon; Swarzenski, Peter W.; Shiller, Alan M.

2012-01-01

The Mississippi River delta outflow region is periodically disturbed by tropical weather systems including major hurricanes, which can terminate seasonal bottom water hypoxia and cause the resuspension of shelf bottom sediments which could result in the injection of trace elements into the water column. In the summer of 2005, Hurricanes Katrina and Rita passed over the Louisiana Shelf within a month of each other. Three weeks after Rita, we collected water samples in the Mississippi River delta outflow, examining the distributions of trace elements to study the effect of Hurricanes Katrina and Rita. We observed limited stratification on the shelf and bottom waters that were no longer hypoxic. This resulted, for instance, in bottom water dissolved Mn being lower than is typically observed during hypoxia, but with concentrations still compatible with Mn–O2 trends previously reported. Interestingly, for no element were we able to identify an obvious effect of sediment resuspension on its distribution. In general, elemental distributions were compatible with previous observations in the Mississippi outflow system. Co and Re, which have not been reported for this system previously, showed behavior consistent with other systems: input for Co likely from desorption and conservative mixing for Re. For Cs, an element for which there is little information regarding its estuarine behavior, conservative mixing was also observed. Our filtration method, which allowed us to distinguish the dissolved (<0.02 μm) from colloidal (0.02–0.45 μm) phase, revealed significant colloidal fractions for Fe and Zn, only. For Fe, the colloidal phase was the dominant fraction and was rapidly removed at low salinity. Dissolved Fe, in contrast, persisted out to mid-salinities, being removed in a similar fashion to nitrate. This ability to distinguish the smaller Fe (likely dominantly organically complexed) from larger colloidal suspensates may be useful in better interpreting the bioavailablity of the Fe in estuarine systems.

The effects of copper, manganese and zinc on plant growth and elemental accumulation in the manganese-hyperaccumulator Phytolacca americana.

PubMed

Zhao, Huijun; Wu, Liangqi; Chai, Tuanyao; Zhang, Yuxiu; Tan, Jinjuan; Ma, Shengwen

2012-09-01

Synchrotron radiation X-ray fluorescence (SRXRF) and inductively coupled plasma mass spectrometry were used to estimate major, minor and trace elements in Cu-, Zn- and Mn-treated Phytolacca americana. The effects of the addition of Cu, Zn and Mn on morphological parameters, such as root length, shoot height, and fresh and dry weights of shoots and roots, were also examined. In addition, the activities of superoxide dismutase (SOD), ascorbate peroxidase (APX), guaiacol peroxidases (GPX) and catalase (CAT) and the expression of Fe-SOD, Cu/Zn-SOD, metallothionein-2 and glutathione S-transferase (GST) exposed to the highest amounts of Cu, Zn or Mn were detected. Our results confirmed the following: (1) Zn supplementation leads to chlorosis, disturbed elemental homeostasis and decreased concentrations of micro- and macroelements such as Fe, Mg, Mn, Ca and K. Cu competed with Fe, Mn and Zn uptake in plants supplemented with 25 μM Cu. However, no antagonistic interactions took place between Cu, Zn, Mn and Fe uptake in plants supplemented with 100 μM Cu. Mn supplementation at various concentrations had no negative effects on elemental deficits. Mn was co-located with high concentrations of Fe and Zn in mature leaves and the concentrations of macro elements were unchanged. (2) P. americana supplemented with increased concentrations of Zn and Cu exhibited lower biomass production and reduced plant growth. (3) When plants were supplemented with the highest Zn and Cu concentrations, symptoms of toxicity corresponded to decreased SOD or CAT activities and increased APX and GPX activities. However, Mn tolerance corresponded to increased SOD and CAT activities and decreased POD and APX activities. Our study revealed that heavy metals partially exert toxicity by disturbing the nutrient balance and modifying enzyme activities that induce damage in plants. However, P. americana has evolved hyper accumulating mechanisms to maintain elemental balance and redox homeostasis under excess Mn. Copyright © 2012 Elsevier GmbH. All rights reserved.

Dissolved and colloidal trace elements in the Mississippi River delta outflow after Hurricanes Katrina and Rita

NASA Astrophysics Data System (ADS)

Shim, Moo-Joon; Swarzenski, Peter W.; Shiller, Alan M.

2012-07-01

The Mississippi River delta outflow region is periodically disturbed by tropical weather systems including major hurricanes, which can terminate seasonal bottom water hypoxia and cause the resuspension of shelf bottom sediments which could result in the injection of trace elements into the water column. In the summer of 2005, Hurricanes Katrina and Rita passed over the Louisiana Shelf within a month of each other. Three weeks after Rita, we collected water samples in the Mississippi River delta outflow, examining the distributions of trace elements to study the effect of Hurricanes Katrina and Rita. We observed limited stratification on the shelf and bottom waters that were no longer hypoxic. This resulted, for instance, in bottom water dissolved Mn being lower than is typically observed during hypoxia, but with concentrations still compatible with Mn-O2 trends previously reported. Interestingly, for no element were we able to identify an obvious effect of sediment resuspension on its distribution. In general, elemental distributions were compatible with previous observations in the Mississippi outflow system. Co and Re, which have not been reported for this system previously, showed behavior consistent with other systems: input for Co likely from desorption and conservative mixing for Re. For Cs, an element for which there is little information regarding its estuarine behavior, conservative mixing was also observed. Our filtration method, which allowed us to distinguish the dissolved (<0.02 μm) from colloidal (0.02-0.45 μm) phase, revealed significant colloidal fractions for Fe and Zn, only. For Fe, the colloidal phase was the dominant fraction and was rapidly removed at low salinity. Dissolved Fe, in contrast, persisted out to mid-salinities, being removed in a similar fashion to nitrate. This ability to distinguish the smaller Fe (likely dominantly organically complexed) from larger colloidal suspensates may be useful in better interpreting the bioavailablity of the Fe in estuarine systems.

INAA Application for Trace Element Determination in Biological Reference Material

NASA Astrophysics Data System (ADS)

Atmodjo, D. P. D.; Kurniawati, S.; Lestiani, D. D.; Adventini, N.

2017-06-01

Trace element determination in biological samples is often used in the study of health and toxicology. Determination change to its essentiality and toxicity of trace element require an accurate determination method, which implies that a good Quality Control (QC) procedure should be performed. In this study, QC for trace element determination in biological samples was applied by analyzing the Standard Reference Material (SRM) Bovine muscle 8414 NIST using Instrumental Neutron Activation Analysis (INAA). Three selected trace element such as Fe, Zn, and Se were determined. Accuracy of the elements showed as %recovery and precision as %coefficient of variance (%CV). The result showed that %recovery of Fe, Zn, and Se were in the range between 99.4-107%, 92.7-103%, and 91.9-112%, respectively, whereas %CV were 2.92, 3.70, and 5.37%, respectively. These results showed that INAA method is precise and accurate for trace element determination in biological matrices.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brink, Adam Ray; Quinn, D. Dane

This paper describes the energy dissipation arising from microslip for an elastic shell incorporating shear and longitudinal deformation resting on a rough-rigid foundation. This phenomenon is investigated using finite element (FE) analysis and nonlinear geometrically exact shell theory. Both approaches illustrate the effect of shear within the shell and observe a reduction in the energy dissipated from microslip as compared to a similar system neglecting shear deformation. In particular, it is found that the shear deformation allows for load to be transmitted beyond the region of slip so that the entire interface contributes to the load carrying capability of themore » shell. The energy dissipation resulting from the shell model is shown to agree well with that arising from the FE model, and this representation can be used as a basis for reduced order models that capture the microslip phenomenon.« less

Benthic macroalgae as biological indicators of heavy metal pollution in the marine environments: a biomonitoring approach for pollution assessment.

PubMed

Chakraborty, Sukalyan; Bhattacharya, Tanushree; Singh, Gurmeet; Maity, Jyoti Prakash

2014-02-01

Metal pollution in the marine coastline environment is an important topical issue in the context of ecological disturbance and climate change. Heavy metal contaminations (Cd, Cr, Cu, Mn, Ni, Pb and Zn) in seawater and surficial sediments, as well as macroalgal diversity, were determined in six different locations along the coast of the Gulf of Kutch in India. The marine coastline environment was found to be enriched with Cd and Zn in comparison to other metals. Significant (p ≤ 0.05) inter-elemental positive-correlations were observed between Fe-Mn, Fe-Cu, Fe-Cr, Fe-Zn, Cr-Cu, Cu-Mn, and Cd-Zn, as well as negative-correlations between Cd-Pb, Ni-Pb, and Zn-Pb. Though genus specific macroalgal responses to heavy metal accumulation were significant, species specific response was insignificant (p ≤ 0.05). The relative abundance of metals in macroalgae followed the order of Fe>Zn>Mn>Cu>Cd>Cr>Ni>Pb. The high uptake of metals in green algae (Ulva lactuca and Enteromorpha intestinalis) and brown algae (Padina gymnospora and Dictyota bartayresiana) suggested that these algae may be used as potential biomonitors for heavy metal pollution. Three pollution indicators, Contamination Factor (CF), Enrichment Factor (EF) and Geochemical Index (Igeo) were calculated to determine the degree of metal pollution in the marine coastline and the contribution of anthropogenic influence. © 2013 Published by Elsevier Inc.

Nanoscale quantification of intracellular element concentration by X-ray fluorescence microscopy combined with X-ray phase contrast nanotomography

NASA Astrophysics Data System (ADS)

Gramaccioni, Chiara; Yang, Yang; Procopio, Alessandra; Pacureanu, Alexandra; Bohic, Sylvain; Malucelli, Emil; Iotti, Stefano; Farruggia, Giovanna; Bukreeva, Inna; Notargiacomo, Andrea; Fratini, Michela; Valenti, Piera; Rosa, Luigi; Berlutti, Francesca; Cloetens, Peter; Lagomarsino, Stefano

2018-01-01

We present here a correlative X-ray microscopy approach for quantitative single cell imaging of molar concentrations. By combining the elemental content provided by X-ray fluorescence microscopy and the morphology information extracted from X-ray phase nanotomography, we determine the intracellular molarity distributions. This correlative method was demonstrated on a freeze-dried human phagocytic cell to obtain the absolute elemental concentration maps of K, P, and Fe. The cell morphology results showed a very good agreement with atomic-force microscopy measurements. This work opens the way for non-destructive single cell chemical analysis down to the sub-cellular level using exclusively synchrotron radiation techniques. It will be of high interest in the case where it is difficult to access the morphology using atomic-force microscopy, for example, on frozen-hydrated cells or tissues.

40 CFR Appendix III to Part 310 - Form: Application for Reimbursement to Local Governments for Emergency Response to Hazardous...

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 29 2012-07-01 2012-07-01 false Form: Application for Reimbursement to... RESPONSE TO HAZARDOUS SUBSTANCE RELEASES Pt. 310, App. III Appendix III to Part 310—Form: Application for... ER18FE98.000 ER18FE98.001 Attachment 1 to Form 9310-1 Cost Element Codes and Comments [Cost Element Codes...

40 CFR Appendix III to Part 310 - Form: Application for Reimbursement to Local Governments for Emergency Response to Hazardous...

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 28 2014-07-01 2014-07-01 false Form: Application for Reimbursement to... RESPONSE TO HAZARDOUS SUBSTANCE RELEASES Pt. 310, App. III Appendix III to Part 310—Form: Application for... ER18FE98.000 ER18FE98.001 Attachment 1 to Form 9310-1 Cost Element Codes and Comments [Cost Element Codes...

40 CFR Appendix III to Part 310 - Form: Application for Reimbursement to Local Governments for Emergency Response to Hazardous...

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 29 2013-07-01 2013-07-01 false Form: Application for Reimbursement to... RESPONSE TO HAZARDOUS SUBSTANCE RELEASES Pt. 310, App. III Appendix III to Part 310—Form: Application for... ER18FE98.000 ER18FE98.001 Attachment 1 to Form 9310-1 Cost Element Codes and Comments [Cost Element Codes...

Quasi-automatic 3D finite element model generation for individual single-rooted teeth and periodontal ligament.

PubMed

Clement, R; Schneider, J; Brambs, H-J; Wunderlich, A; Geiger, M; Sander, F G

2004-02-01

The paper demonstrates how to generate an individual 3D volume model of a human single-rooted tooth using an automatic workflow. It can be implemented into finite element simulation. In several computational steps, computed tomography data of patients are used to obtain the global coordinates of the tooth's surface. First, the large number of geometric data is processed with several self-developed algorithms for a significant reduction. The most important task is to keep geometrical information of the real tooth. The second main part includes the creation of the volume model for tooth and periodontal ligament (PDL). This is realized with a continuous free form surface of the tooth based on the remaining points. Generating such irregular objects for numerical use in biomechanical research normally requires enormous manual effort and time. The finite element mesh of the tooth, consisting of hexahedral elements, is composed of different materials: dentin, PDL and surrounding alveolar bone. It is capable of simulating tooth movement in a finite element analysis and may give valuable information for a clinical approach without the restrictions of tetrahedral elements. The mesh generator of FE software ANSYS executed the mesh process for hexahedral elements successfully.

Evaluation of Trace Elements and Their Relationship with Growth and Development of Young Children.

PubMed

Cao, Jia; Gao, Zhenyan; Yan, Jin; Li, Minming; Su, Jia; Xu, Jian; Yan, Chong-Huai

2016-06-01

This study was conducted to assess the levels of trace elements and their relationship with growth and development of children in Shanghai, China, to offer scientific evidence for supplementing trace elements in children. A stratified, clustered, random sampling method was used in the study. Blood samples were taken from 2141 Shanghai children from 0 to 6.0 years old, and the concentrations of zinc (Zn), calcium (Ca), iron (Fe), copper (Cu), and magnesium (Mg) were measured using inductively coupled plasma mass spectrometry (ICP-MS). Nutritional status was determined and Z-scores of anthropometric parameters, such as height for age (HFA), weight for age (WFA), and body mass index (BMI) were calculated, indicated by HAZ, WAZ, and BMIZ, respectively. The overall median blood levels of Zn, Ca, Fe, Cu, and Mg were 8.83, 79.02, 9.49, 1.04, and 15.45 mg/L, respectively. Fe, Cu, and Mg increased with age and Zn, Fe, and Cu differed by sex. HAZ and WAZ were positively correlated with Zn (r (2) = 0.072 and 0.053, respectively; P < 0.05). Trace elements were significantly related to children's growth and development. Dietary supplementation and screening of nutritional states are potential solutions to improve children's growth and development.

Trace elements in muscle of three fish species from Todos os Santos Bay, Bahia State, Brazil.

PubMed

de Santana, Carolina Oliveira; de Jesus, Taíse Bomfim; de Aguiar, William Moura; de Jesus Sant'anna Franca-Rocha, Washington; Soares, Carlos Alberto Caroso

2017-03-01

In this study, an analysis was performed on the concentrations of the trace elements Al, As, Ba, Cd, Co, Cr, Cu, Fe, Mn, Ni, Pb, V, and Zn in muscle of two carnivorous and one planktivorous fish species collected at Todos os Santos Bay (BTS). The accumulation order of the trace elements in Lutjanus analis was Al >Zn >Fe >Cr >Ba >Ni. In Cetengraulis edentulus, the order was Al >Fe >Zn >Cr >Ni >Mn >As. In the species Diapterus rhombeus, the order was Al >Fe >Zn >Cr >Ni >Mn >Cd. To determine the risk related to the consumption of fish, toxicity guidelines were used as standard references. It was observed that the species C. edentulus contained concentrations of As exceeding WHO limits, but these concentrations were acceptable according to the Agência Nacional de Vigilância Sanitária (ANVISA) guidelines. Cd levels were found only in D. rhombeus and in low concentrations according to the determinations of WHO and ANVISA. Pb levels were not detected in any of the three fish species. The analyzed elements did not differ statistically according to the species and feeding habits. The results point to possible risks of human contamination by As related to the consumption of the fish species C. edentulus from the BTS.

Observational restrictions on sodium and aluminium abundance variations in evolution of the galaxy

NASA Astrophysics Data System (ADS)

Menzhevitski, V. S.; Shimanskaya, N. N.; Shimansky, V. V.; Sakhibullin, N. A.

2013-07-01

In this paper we construct and analyze the uniform non-LTE distributions of the aluminium ([Al/Fe]-[Fe/H]) and sodium ([Na/Fe]-[Fe/H]) abundances in the sample of 160 stars of the disk and halo of our Galaxy with metallicities within -4.07 ≤ [Fe/H] ≤ 0.28. The values of metallicity [Fe/H] and microturbulence velocity ξ turb indices are determined from the equivalent widths of the Fe II and Fe I lines. We estimated the sodium and aluminium abundances using a 21-level model of the Na I atom and a 39-level model of the Al I atom. The resulting LTE distributions of [Na/Fe]-[Fe/H] and [Al/Fe]-[Fe/H] do not correspond to the theoretical predictions of their evolution, suggesting that a non-LTE approach has to be applied to determine the abundances of these elements. The account of non-LTE corrections reduces by 0.05-0.15 dex the abundances of sodium, determined from the subordinate lines in the stars of the disk with [Fe/H] ≥ -2.0, and by 0.05-0.70 dex (with a strong dependence on metallicity) the abundances of [Na/Fe], determined by the resonance lines in the stars of the halo with [Fe/H] ≤ -2.0. The non-LTE corrections of the aluminium abundances are strictly positive and increase from 0.0-0.1 dex for the stars of the thin disk (-0.7 ≤ [Fe/H] ≤ 0.28) to 0.03-0.3 dex for the stars of the thick disk (-1.5 ≤ [Fe/H] ≤ -0.7) and 0.06-1.2 dex for the stars of the halo ([Fe/H] ≤ -2.0). The resulting non-LTE abundances of [Na/Fe] reveal a scatter of individual values up to Δ[Na/Fe] = 0.4 dex for the stars of close metallicities. The observed non-LTE distribution of [Na/Fe]-[Fe/H] within 0.15 dex coincides with the theoretical distributions of Samland and Kobayashi et al. The non-LTE aluminium abundances are characterized by a weak scatter of values (up to Δ[Al/Fe] = 0.2 dex) for the stars of all metallicities. The constructed non-LTE distribution of [Al/Fe]-[Fe/H] is in a satisfactory agreement to 0.2 dex with the theoretical data of Kobayashi et al., but strongly differs (up to 0.4 dex) from the predictions of Samland.

The association between content of the elements S, Cl, K, Fe, Cu, Zn and Br in normal and cirrhotic liver tissue from Danes and Greenlandic Inuit examined by dual hierarchical clustering analysis.

PubMed

Laursen, Jens; Milman, Nils; Pind, Niels; Pedersen, Henrik; Mulvad, Gert

2014-01-01

Meta-analysis of previous studies evaluating associations between content of elements sulphur (S), chlorine (Cl), potassium (K), iron (Fe), copper (Cu), zinc (Zn) and bromine (Br) in normal and cirrhotic autopsy liver tissue samples. Normal liver samples from 45 Greenlandic Inuit, median age 60 years and from 71 Danes, median age 61 years. Cirrhotic liver samples from 27 Danes, median age 71 years. Element content was measured using X-ray fluorescence spectrometry. Dual hierarchical clustering analysis, creating a dual dendrogram, one clustering element contents according to calculated similarities, one clustering elements according to correlation coefficients between the element contents, both using Euclidian distance and Ward Procedure. One dendrogram separated subjects in 7 clusters showing no differences in ethnicity, gender or age. The analysis discriminated between elements in normal and cirrhotic livers. The other dendrogram clustered elements in four clusters: sulphur and chlorine; copper and bromine; potassium and zinc; iron. There were significant correlations between the elements in normal liver samples: S was associated with Cl, K, Br and Zn; Cl with S and Br; K with S, Br and Zn; Cu with Br. Zn with S and K. Br with S, Cl, K and Cu. Fe did not show significant associations with any other element. In contrast to simple statistical methods, which analyses content of elements separately one by one, dual hierarchical clustering analysis incorporates all elements at the same time and can be used to examine the linkage and interplay between multiple elements in tissue samples. Copyright © 2013 Elsevier GmbH. All rights reserved.

Effects of Scan Resolutions and Element Sizes on Bovine Vertebral Mechanical Parameters from Quantitative Computed Tomography-Based Finite Element Analysis

PubMed Central

Zhang, Meng; Gao, Jiazi; Huang, Xu; Zhang, Min; Liu, Bei

2017-01-01

Quantitative computed tomography-based finite element analysis (QCT/FEA) has been developed to predict vertebral strength. However, QCT/FEA models may be different with scan resolutions and element sizes. The aim of this study was to explore the effects of scan resolutions and element sizes on QCT/FEA outcomes. Nine bovine vertebral bodies were scanned using the clinical CT scanner and reconstructed from datasets with the two-slice thickness, that is, 0.6 mm (PA resolution) and 1 mm (PB resolution). There were significantly linear correlations between the predicted and measured principal strains (R2 > 0.7, P < 0.0001), and the predicted vertebral strength and stiffness were modestly correlated with the experimental values (R2 > 0.6, P < 0.05). Two different resolutions and six different element sizes were combined in pairs, and finite element (FE) models of bovine vertebral cancellous bones in the 12 cases were obtained. It showed that the mechanical parameters of FE models with the PB resolution were similar to those with the PA resolution. The computational accuracy of FE models with the element sizes of 0.41 × 0.41 × 0.6 mm3 and 0.41 × 0.41 × 1 mm3 was higher by comparing the apparent elastic modulus and yield strength. Therefore, scan resolution and element size should be chosen optimally to improve the accuracy of QCT/FEA. PMID:29065624

Coping with iron limitation: A metabolomic study of Synechocystis sp. PCC 6803

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rivas-Ubach, Albert; Poret-Peterson, Amisha T.; Peñuelas, Josep

Iron (Fe) is a key element for all living systems, especially for photosynthetic organisms because of its important role in the photosynthetic electron transport chain. Fe limitation in cyanobacteria leads to several physiological and morphological changes. However, the overall metabolic responses to Fe limitation are still poorly understood. In this study, we integrated elemental, stoichiometric, macromolecular, and metabolomic data to shed light on the responses of Synechocystis sp. PCC 6803, a non-N2-fixing freshwater cyanobacterium, to Fe limitation. Compared to Synechocystis growing at nutrient replete conditions, Fe-limited cultures had lower growth rates and amounts of chlorophyll a, RNA, RNA:DNA, C, N,more » and P and higher ratios of Protein:RNA, C:N, C:P and N:P, in accordance with the growth rate hypothesis which predicts faster growing organisms will have decreased biomass RNA contents and C:P and N:P ratios. Fe-limited Synechocystis had lower amounts Fe, Mn and Mo, and higher amount of Cu. Several changes in amino acids of cultures growing under Fe limitation suggest nitrogen limitation. Additionally, we found substantial increases in stress-related metabolites in Fe-limited cyanobacteria such antioxidants. This study represents an advance in understanding the stoichiometric, macromolecular and metabolic strategies that cyanobacteria use to cope with Fe limitation. This information, moreover, may further understanding of changes in cyanobacterial functions under scenarios of Fe limitation in aquatic ecosystems.« less

Nanocrystalline Fe/Zr alloys: preparation by using mechanical alloying and mechanical milling processes

NASA Astrophysics Data System (ADS)

Rodríguez, V. A. Peña; Medina, J. Medina; Marcatoma, J. Quispe; Ayala, Ch. Rojas; Landauro, C. V.; Baggio-Saitovitch, E. M.; Passamani, E. C.

2011-11-01

Nanocrystalline Fe/Zr alloys have been prepared after milling for 9 h the mixture of elemental Fe and Zr powders or the arc-melting produced Fe2Zr alloy by using mechanical alloying and mechanical milling techniques, respectively. X-ray and Mössbauer results of the Fe and Zr powders, mechanically alloyed, suggest that amorphous Fe2Zr phase and \\upalpha-Fe(Zr) nanograins have been produced with relative concentrations of 91% and 9%, respectively. Conversely, the results of the mechanically milled Fe2Zr alloy indicate that nanograins of the Fe2Zr alloy have been formed, surrounded by a magnetic inter-granular phase that are simultaneously dispersed in a paramagnetic amorphous phase.

Wavelength dispersive X-ray fluorescence analysis using fundamental parameter approach of Catha edulis and other related plant samples

NASA Astrophysics Data System (ADS)

Shaltout, Abdallah A.; Moharram, Mohammed A.; Mostafa, Nasser Y.

2012-01-01

This work is the first attempt to quantify trace elements in the Catha edulis plant (Khat) with a fundamental parameter approach. C. edulis is a famous drug plant in east Africa and Arabian Peninsula. We have previously confirmed that hydroxyapatite represents one of the main inorganic compounds in the leaves and stalks of C. edulis. Comparable plant leaves from basil, mint and green tea were included in the present investigation as well as trifolium leaves were included as a non-related plant. The elemental analyses of the plants were done by Wavelength Dispersive X-Ray Fluorescence (WDXRF) spectroscopy. Standard-less quantitative WDXRF analysis was carried out based on the fundamental parameter approaches. According to the standard-less analysis algorithms, there is an essential need for an accurate determination of the amount of organic material in the sample. A new approach, based on the differential thermal analysis, was successfully used for the organic material determination. The obtained results based on this approach were in a good agreement with the commonly used methods. Depending on the developed method, quantitative analysis results of eighteen elements including; Al, Br, Ca, Cl, Cu, Fe, K, Na, Ni, Mg, Mn, P, Rb, S, Si, Sr, Ti and Zn were obtained for each plant. The results of the certified reference materials of green tea (NCSZC73014, China National Analysis Center for Iron and Steel, Beijing, China) confirmed the validity of the proposed method.

Parameter optimization for the visco-hyperelastic constitutive model of tendon using FEM.

PubMed

Tang, C Y; Ng, G Y F; Wang, Z W; Tsui, C P; Zhang, G

2011-01-01

Numerous constitutive models describing the mechanical properties of tendons have been proposed during the past few decades. However, few were widely used owing to the lack of implementation in the general finite element (FE) software, and very few systematic studies have been done on selecting the most appropriate parameters for these constitutive laws. In this work, the visco-hyperelastic constitutive model of the tendon implemented through the use of three-parameter Mooney-Rivlin form and sixty-four-parameter Prony series were firstly analyzed using ANSYS FE software. Afterwards, an integrated optimization scheme was developed by coupling two optimization toolboxes (OPTs) of ANSYS and MATLAB for estimating these unknown constitutive parameters of the tendon. Finally, a group of Sprague-Dawley rat tendons was used to execute experimental and numerical simulation investigation. The simulated results showed good agreement with the experimental data. An important finding revealed that too many Maxwell elements was not necessary for assuring accuracy of the model, which is often neglected in most open literatures. Thus, all these proved that the constitutive parameter optimization scheme was reliable and highly efficient. Furthermore, the approach can be extended to study other tendons or ligaments, as well as any visco-hyperelastic solid materials.

Trace elemental analysis in cancer-afflicted tissues of penis and testis by PIXE technique

NASA Astrophysics Data System (ADS)

Naga Raju, G. J.; John Charles, M.; Bhuloka Reddy, S.; Sarita, P.; Seetharami Reddy, B.; Rama Lakshmi, P. V. B.; Vijayan, V.

2005-04-01

PIXE technique was employed to estimate the trace elemental concentrations in the biological samples of cancerous penis and testis. A 3 MeV proton beam was employed to excite the samples. From the present results it can be seen that the concentrations of Cl, Fe and Co are lower in the cancerous tissue of the penis when compared with those in normal tissue while the concentrations of Cu, Zn and As are relatively higher. The concentrations of K, Ca, Ti, Cr, Mn, Br, Sr and Pb are in agreement within standard deviations in both cancerous and normal tissues. In the cancerous tissue of testis, the concentrations of K, Cr and Cu are higher while the concentrations of Fe, Co and Zn are lower when compared to those in normal tissue of testis. The concentrations of Cl, Ca, Ti and Mn are in agreement in both cancerous and normal tissues of testis. The higher levels of Cu lead to the development of tumor. Our results also support the underlying hypothesis of an anticopper, antiangiogenic approach to cancer therapy. The Cu/Zn ratios of both penis and testis were higher in cancer tissues compared to that of normal.

A numerical multi-scale model to predict macroscopic material anisotropy of multi-phase steels from crystal plasticity material definitions

NASA Astrophysics Data System (ADS)

Ravi, Sathish Kumar; Gawad, Jerzy; Seefeldt, Marc; Van Bael, Albert; Roose, Dirk

2017-10-01

A numerical multi-scale model is being developed to predict the anisotropic macroscopic material response of multi-phase steel. The embedded microstructure is given by a meso-scale Representative Volume Element (RVE), which holds the most relevant features like phase distribution, grain orientation, morphology etc., in sufficient detail to describe the multi-phase behavior of the material. A Finite Element (FE) mesh of the RVE is constructed using statistical information from individual phases such as grain size distribution and ODF. The material response of the RVE is obtained for selected loading/deformation modes through numerical FE simulations in Abaqus. For the elasto-plastic response of the individual grains, single crystal plasticity based plastic potential functions are proposed as Abaqus material definitions. The plastic potential functions are derived using the Facet method for individual phases in the microstructure at the level of single grains. The proposed method is a new modeling framework and the results presented in terms of macroscopic flow curves are based on the building blocks of the approach, while the model would eventually facilitate the construction of an anisotropic yield locus of the underlying multi-phase microstructure derived from a crystal plasticity based framework.

Parallel Higher-order Finite Element Method for Accurate Field Computations in Wakefield and PIC Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Candel, A.; Kabel, A.; Lee, L.

Over the past years, SLAC's Advanced Computations Department (ACD), under SciDAC sponsorship, has developed a suite of 3D (2D) parallel higher-order finite element (FE) codes, T3P (T2P) and Pic3P (Pic2P), aimed at accurate, large-scale simulation of wakefields and particle-field interactions in radio-frequency (RF) cavities of complex shape. The codes are built on the FE infrastructure that supports SLAC's frequency domain codes, Omega3P and S3P, to utilize conformal tetrahedral (triangular)meshes, higher-order basis functions and quadratic geometry approximation. For time integration, they adopt an unconditionally stable implicit scheme. Pic3P (Pic2P) extends T3P (T2P) to treat charged-particle dynamics self-consistently using the PIC (particle-in-cell)more » approach, the first such implementation on a conformal, unstructured grid using Whitney basis functions. Examples from applications to the International Linear Collider (ILC), Positron Electron Project-II (PEP-II), Linac Coherent Light Source (LCLS) and other accelerators will be presented to compare the accuracy and computational efficiency of these codes versus their counterparts using structured grids.« less

Mercury's core evolution

NASA Astrophysics Data System (ADS)

Deproost, Marie-Hélène; Rivoldini, Attilio; Van Hoolst, Tim

2016-10-01

Remote sensing data of Mercury's surface by MESSENGER indicate that Mercury formed under reducing conditions. As a consequence, silicon is likely the main light element in the core together with a possible small fraction of sulfur. Compared to sulfur, which does almost not partition into solid iron at Mercury's core conditions and strongly decreases the melting temperature, silicon partitions almost equally well between solid and liquid iron and is not very effective at reducing the melting temperature of iron. Silicon as the major light element constituent instead of sulfur therefore implies a significantly higher core liquidus temperature and a decrease in the vigor of compositional convection generated by the release of light elements upon inner core formation.Due to the immiscibility in liquid Fe-Si-S at low pressure (below 15 GPa), the core might also not be homogeneous and consist of an inner S-poor Fe-Si core below a thinner Si-poor Fe-S layer. Here, we study the consequences of a silicon-rich core and the effect of the blanketing Fe-S layer on the thermal evolution of Mercury's core and on the generation of a magnetic field.

Geochemical studies of Fe, Mn, Co, As, Cr, Sb, Zn, Sc and V in surface sediments from Jiaozhou Bay

NASA Astrophysics Data System (ADS)

Wu, Run; Li, Pei-Quan; Miao, Lu-Tian; Zhang, Shu-Xin; Tian, Wei-Zhi

1994-12-01

The contents of nearly forty-elements in surface sediments in Jiaozhou Bay were determined using a Neutron Activation Analysis Technique (Grancini, et al., 1976; Li Peiquan et al., 1985, 1986; Li Xiuxia et al., 1986). This paper's detailed discussion on only nine elements (Fe, Mn, Co, Cr, Sc, As, Sb, Zn and V) includes their distributions, concentrations, correlationships, material sources, background, etc. Based on Zavaristski's classification method, Fe, Mn, Co, Cr and V belong to the second group; As and Sb to the eighth groups: Sc and Zn to the third and sixth groups. It was found that their notably good correlationship is mainly due to the similarity of their ionic structures and that their variation is controlled by the Fe content (except Mn). The source of sediments is mainly terristrial material, and the composition of sediment is similar to that of shale and shale+clay. The contents for a large number of elements are within the scope of the background level, but there still is pollution of Zn and Cr, at least in a few stations.

Major and trace elements in Boletus aereus and Clitopilus prunulus growing on volcanic and sedimentary soils of Sicily (Italy).

PubMed

Alaimo, M G; Dongarrà, G; La Rosa, A; Tamburo, E; Vasquez, G; Varrica, D

2018-08-15

The aim of this study was to determine and compare the content of 28 elements (Ag, Al, As, Ba, Be, Bi, Ca, Cd, Co, Cr, Cu, Fe, K, Li, Mg, Mn, Mo, Na, Ni, Pb, Rb, Sb, Se, Sr, Tl, U, V and Zn) in fruiting bodies of Boletus aereus Bull. and Clitopilus prunulus P. Kumm collected from eleven unpolluted sites of Sicily (Italy) and, also to relate the abundance of chemical elements in soil with their concentration in mushrooms. Median concentrations of the most abundant elements in Boletus aereus ranged from 31,290 μg/g (K) to 107 μg/g (Zn) in caps and from 24,009 μg/g (K) to 57 μg/g (Zn) in stalks with the following abundance order: K > Na > Ca > Mg > Fe > Al > Rb > Zn. The same elements, in the whole fruiting body of Clitopilus prunulus samples, varied in the range 54,073-92 μg/g following the abundance order: K > Na > Mg > Ca > Fe > Al > Rb > Zn. Metal contents in Boletus aereus and in the whole fruiting body of Clitopilus prunulus, collected from the same sampling sites, showed statistically significant differences for most elements. In particular, Clitopilus prunulus contained around two to four times more Co, Cr, Fe, Mg, Mo, Pb, U and V than caps and stalks of Boletus aereus species which, in turn, was from two to four times more enriched in Cu, Se and Tl. Thus, the elemental content of Boletus aereus and Clitopilus prunulus appeared to be species-dependent. The distribution of chemical elements in Boletus aereus was not uniform throughout the whole fruiting body as most elements were significantly bioconcentrated in caps. Furthermore, the fruit bodies of Boletus aereus from the volcanic soil differed both in major and minor elements concentrations from those collected from sedimentary soils. Cadmium and lead concentrations were below the threshold limits for wild mushrooms proposed by EU Directives (2008 and 2015). The elemental content was not significantly influenced by soil pH. Copyright © 2018 Elsevier Inc. All rights reserved.

Trace element content and magnetic properties of commercial HOPG samples studied by ion beam microscopy and SQUID magnetometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spemann, D., E-mail: spemann@uni-leipzig.de; Esquinazi, P., E-mail: esquin@physik.uni-leipzig.de; Setzer, A.

In this study, the impurity concentration and magnetic response of nine highly oriented pyrolytic graphite (HOPG) samples with different grades and from different providers were determined using ion beam microscopy and SQUID magnetometry. Apart from sideface contaminations in the as-received state, bulk contamination of the samples in most cases consists of disk-shaped micron-sized particles made of Ti and V with an additional Fe contamination around the grain perimeter. The saturation magnetization typically increases with Fe concentration, however, there is no simple correlation between Fe content and magnetic moment. The saturation magnetization of one, respectively six, out of nine samples clearlymore » exceeds the maximum contribution from pure Fe or Fe{sub 3}C. For most samples the temperature dependence of the remanence decreases linearly with T – a dependence found previously for defect-induced magnetism (DIM) in HOPG. We conclude that apart from magnetic impurities, additional contribution to the ferromagnetic magnetization exists in pristine HOPG in agreement with previous studies. A comparative study between the results of ion beam microscopy and the commonly used EDX analysis shows clearly that EDX is not a reliable method for quantitative trace elemental analysis in graphite, clarifying weaknesses and discrepancies in the element concentrations given in the recent literature.« less

New magnetic rails with double-layer Halbach structure by employing NdFeB and ferrite magnets for HTS maglev

NASA Astrophysics Data System (ADS)

Sun, Ruixue; Zheng, Jun; Zheng, Botian; Qian, Nan; Li, Jipeng; Deng, Zigang

2018-01-01

In the high temperature superconducting (HTS) maglev system, the magnetic rail as an essential infrastructure is needed all along the route to carry passengers and goods to the destinations. Thus, large amount of rare earth magnetic materials are required in the magnetic rail construction. In order to decrease the dependence of magnetic rails on rare earth elements, the ferrite magnet is employed to replace part of the NdFeB magnets containing rare earth elements. Consequently, a new type rail with double-layer Halbach structure is presented, which is consisted of NdFeB and ferrite magnets. In this paper, we designed and fabricated the proposed rail, and further measured its magnetic flux density distribution and electromagnetic force interacting with HTS bulks. Experimental results indicate that, this new type rail, in double-layer Halbach structure, can achieve an equivalent distribution of magnetic flux density and levitation performance as the pure NdFeB Halbach rail, while a 10% reduction in NdFeB magnet consumption can be realized at the same time. In addition this work explores another magnetic material selection for HTS maglev applications. The dependence on rare earth element and the cost of magnetic rails can be further reduced, as the coercive force of ferrite magnets improved.

A two-step FEM-SEM approach for wave propagation analysis in cable structures

NASA Astrophysics Data System (ADS)

Zhang, Songhan; Shen, Ruili; Wang, Tao; De Roeck, Guido; Lombaert, Geert

2018-02-01

Vibration-based methods are among the most widely studied in structural health monitoring (SHM). It is well known, however, that the low-order modes, characterizing the global dynamic behaviour of structures, are relatively insensitive to local damage. Such local damage may be easier to detect by methods based on wave propagation which involve local high frequency behaviour. The present work considers the numerical analysis of wave propagation in cables. A two-step approach is proposed which allows taking into account the cable sag and the distribution of the axial forces in the wave propagation analysis. In the first step, the static deformation and internal forces are obtained by the finite element method (FEM), taking into account geometric nonlinear effects. In the second step, the results from the static analysis are used to define the initial state of the dynamic analysis which is performed by means of the spectral element method (SEM). The use of the SEM in the second step of the analysis allows for a significant reduction in computational costs as compared to a FE analysis. This methodology is first verified by means of a full FE analysis for a single stretched cable. Next, simulations are made to study the effects of damage in a single stretched cable and a cable-supported truss. The results of the simulations show how damage significantly affects the high frequency response, confirming the potential of wave propagation based methods for SHM.

Electrothermal Equivalent Three-Dimensional Finite-Element Model of a Single Neuron.

PubMed

Cinelli, Ilaria; Destrade, Michel; Duffy, Maeve; McHugh, Peter

2018-06-01

We propose a novel approach for modelling the interdependence of electrical and mechanical phenomena in nervous cells, by using electrothermal equivalences in finite element (FE) analysis so that existing thermomechanical tools can be applied. First, the equivalence between electrical and thermal properties of the nerve materials is established, and results of a pure heat conduction analysis performed in Abaqus CAE Software 6.13-3 are validated with analytical solutions for a range of steady and transient conditions. This validation includes the definition of equivalent active membrane properties that enable prediction of the action potential. Then, as a step toward fully coupled models, electromechanical coupling is implemented through the definition of equivalent piezoelectric properties of the nerve membrane using the thermal expansion coefficient, enabling prediction of the mechanical response of the nerve to the action potential. Results of the coupled electromechanical model are validated with previously published experimental results of deformation for squid giant axon, crab nerve fibre, and garfish olfactory nerve fibre. A simplified coupled electromechanical modelling approach is established through an electrothermal equivalent FE model of a nervous cell for biomedical applications. One of the key findings is the mechanical characterization of the neural activity in a coupled electromechanical domain, which provides insights into the electromechanical behaviour of nervous cells, such as thinning of the membrane. This is a first step toward modelling three-dimensional electromechanical alteration induced by trauma at nerve bundle, tissue, and organ levels.

Strategic coating of NdFeB magnets with Dy to improve the coercivity of permanent magnets

DOE PAGES

Ucar, Huseyin; Parker, David S.; Nlebedim, I. C.; ...

2015-12-25

Here, we present a method, supported by theoretical analysis, for optimizing the usage of the critical rare earth element dysprosium in Nd 2Fe 14B (NdFeB)-based permanent magnets. In this method, we use Dy selectively in locations such as magnet edges and faces, where demagnetization factors are most significant, rather than uniformly throughout the bulk sample. A 200 nm thick Dy film was sputtered onto commercial N-38, NdFeB magnets with a thickness of 3 mm and post-annealed at temperatures from 600 - 700 C. Magnets displayed enhanced coercivities after post-annealing. Furthermore, our experimental results indicate as large as a 5 percentmore » increase in the energy product of NdFeB magnets, achieved for a total Dy weight percentage of 0.06 percent, much less than that used in commercial grade Dy-NdFeB magnets. Finally, by assuming all Dy diffused into NdFeB magnets, the improvement in energy product corresponds to a saving of over 1% Dy (critical element). Magnets manufactured using this technique will therefore be higher performing and significantly less expensive than those made presently.« less

Application of thin-plate spline transformations to finite element models, or, how to turn a bog turtle into a spotted turtle to analyze both.

PubMed

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.

Variation of magnetic properties with mischmetal content in the resource saving magnets of MM-Fe-B ribbons

NASA Astrophysics Data System (ADS)

Li, Zhu-bai; Wang, Li-chen; Geng, Xiao-peng; Hu, Feng-xia; Sun, Ji-rong; Shen, Bao-gen

2017-03-01

Magnetic materials of MM-Fe-B (MM=mischmetal) ribbons were prepared using melt spinning method by varying the content of MM. The ribbons contain minor phases besides the main phase of Re2Fe14B. X-ray techniques show that the diffraction peak intensities of the minor phase Fe3B vary with the content of constituent elements, indicating that the amount of minor phase could be tunable. The squareness of hysteresis loop is the best in MM13Fe80.5B6.5 ribbons, which should mainly ascribe to the less amount of minor phase. Henkel plots verify the more uniform magnetization reversals in MM13Fe80.5B6.5 ribbons, and the energy product achieves to the maximum of 12.74 MGOe with the coercivity of 6.50 kOe. With the increase of MM content the coercivity increases monotonically, and reaches to 9.13 kOe in MM15Fe77.5B7.5 ribbons, which should be related with the nature of the defects in the main phase. These investigations show that optimizing the content of constituent elements and phase constitution could improve magnetic properties in the resource-saving magnets of MM-Fe-B ribbons.

Effect of Nb on magnetic and mechanical properties of TbDyFe alloys

NASA Astrophysics Data System (ADS)

Wang, Naijuan; Liu, Yuan; Zhang, Huawei; Chen, Xiang; Li, Yanxiang

2018-03-01

The intrinsic brittleness in giant magnetostrictive material TbDyFe alloy has devastating influence on the machinability and properties of the alloy, thus affecting its applications. The purpose of this paper is to study the mechanical properties of the TbDyFe alloy by alloying with Nb element. The samples (Tb0.3Dy0.7)xFe2xNby (y = 0, 0.01, 0.04, 0.07, 0.1; 3x + y = 1) were melted in an arc melting furnace under high purity argon atmosphere. The microstructure, magnetostrictive properties and mechanical performance of the alloys were studied systematically. The results showed that NbFe2 phases were observed in the alloys with the addition of Nb. Moreover, both the NbFe2 phases and rare earth (RE)-rich phases were increased with the increasing of Nb element. The mechanical properties results revealed that the fracture toughness of the alloy with the addition of Nb enhanced 1.5-5 times of the Nb-free alloy. Both the NbFe2 phase and the RE-rich phase had the ability to prevent crack propagation, so that they can strengthen the REFe2 body. However, NbFe2 phase is a paramagnetic phase, which can reduce the magnetostrictive properties of the alloy by excessive precipitation.

The effects of Ni, Mo, Ti and Si on the mechanical properties of Cr free Mn steel (Fe-25Mn-5Al-2C)

NASA Technical Reports Server (NTRS)

Schuon, S. R.

1982-01-01

The FeMnAlC alloys may hold potential as Cr-free replacements for high strategic material iron base superalloys, but little is known about their intermediate temperature (650 C to 870 C) mechanical properties. The effects of alloying elements on the mechanical properties of model FeMnAlC alloys were studied. Results showed that modified FeMnAlC alloys had promising short term, intermediate temperature properties but had relatively poor stress rupture lives at 172 MPa and 788 C. Room temperature and 788 C tensile strength of FeMnAlC alloys were better than common cast stainless steels. Changes in room temperature tensile and 788 C tensile strength and ductility, and 788 C stress rupture life were correlated with changes in Ni, Mo, Ti, and Si levels due to alloying effects on interstitial carbon levels and carbide morphology. Fe-25Mn-5Al-2C had a very poor stress rupture life at 172 MPa and 788 C. Addition of carbide-forming elements improved the stress rupture life.

Weathering and precipitation after meteorite impact of Ni, Cr, Fe, Ca and Mn in K-T boundary clays from Stevns Klint

NASA Astrophysics Data System (ADS)

Miyano, Yumiko; Yoshiasa, Akira; Tobase, Tsubasa; Isobe, Hiroshi; Hongu, Hidetomo; Okube, Maki; Nakatsuka, Akihiko; Sugiyama, Kazumasa

2016-05-01

Ni, Cr, Fe, Ca and Mn K-edge XANES and EXAFS spectra were measured on K-T boundary clays from Stevns Klint in Denmark. According to XANES spectra and EXAFS analyses, the local structures of Ni, Cr and Fe in K-T boundary clays is similar to Ni(OH)2, Cr2O3 and FeOOH, respectively. It is assumed that the Ni, Cr and Fe elements in impact related glasses is changing into stable hydrate and oxide by the weathering and diagenesis at the surface of the Earth. Ca in K-T boundary clays maintains the diopside-like structure. Local structure of Ca in K-T clays seems to keep information on the condition at meteorite impact. Mn has a local structure like MnCO3 with divalent state. It is assumed that the origin on low abundant of Mn in the Fe-group element in K-T clays was the consumption by life activity and the diffusion to other parts.

Density of Fe-3.5 wt% C liquid at high pressure and temperature and the effect of carbon on the density of the molten iron

NASA Astrophysics Data System (ADS)

Shimoyama, Yuta; Terasaki, Hidenori; Ohtani, Eiji; Urakawa, Satoru; Takubo, Yusaku; Nishida, Keisuke; Suzuki, Akio; Katayama, Yoshinori

2013-11-01

Carbon is a plausible light element candidate in the Earth’s outer core. We measured the density of liquid Fe-3.5 wt% C up to 6.8 GPa and 2200 K using an X-ray absorption method. The compression curve of liquid Fe-C was fitted using the third-order Birch-Murnaghan equation of state. The bulk modulus and its pressure derivative are K0,1500K = 55.3 ± 2.5 GPa and (dK0/dP)T = 5.2 ± 1.5, and the thermal expansion coefficient is α = 0.86 ± 0.04 × 10-4 K-1. The Fe-C density abruptly increases at pressures between 4.3 and 5.5 GPa in the range of present temperatures. Compared with the results of previous density measurements of liquid Fe-C, the effect of carbon on the density of liquid Fe shows a nonideal mixing behavior. The abrupt density increase and nonideal mixing behavior are important factors in determining the light element content in the Earth’s core.

Novel Experimental Simulations of the Atmospheric Injection of Meteoric Metals

NASA Astrophysics Data System (ADS)

Gómez Martín, J. C.; Bones, D. L.; Carrillo-Sánchez, J. D.; James, A. D.; Trigo-Rodríguez, J. M.; Fegley, B., Jr.; Plane, J. M. C.

2017-02-01

A newly developed laboratory, Meteoric Ablation Simulator (MASI), is used to test model predictions of the atmospheric ablation of interplanetary dust particles (IDPs) with experimental Na, Fe, and Ca vaporization profiles. MASI is the first laboratory setup capable of performing time-resolved atmospheric ablation simulations, by means of precision resistive heating and atomic laser-induced fluorescence detection. Experiments using meteoritic IDP analogues show that at least three mineral phases (Na-rich plagioclase, metal sulfide, and Mg-rich silicate) are required to explain the observed appearance temperatures of the vaporized elements. Low melting temperatures of Na-rich plagioclase and metal sulfide, compared to silicate grains, preclude equilibration of all the elemental constituents in a single melt. The phase-change process of distinct mineral components determines the way in which Na and Fe evaporate. Ca evaporation is dependent on particle size and on the initial composition of the molten silicate. Measured vaporized fractions of Na, Fe, and Ca as a function of particle size and speed confirm differential ablation (I.e., the most volatile elements such as Na ablate first, followed by the main constituents Fe, Mg, and Si, and finally the most refractory elements such as Ca). The Chemical Ablation Model (CABMOD) provides a reasonable approximation to this effect based on chemical fractionation of a molten silicate in thermodynamic equilibrium, even though the compositional and geometric description of IDPs is simplistic. Improvements in the model are required in order to better reproduce the specific shape of the elemental ablation profiles.

COMPUTERIZED TRAINING OF CRYOSURGERY – A SYSTEM APPROACH

PubMed Central

Keelan, Robert; Yamakawa, Soji; Shimada, Kenji; Rabin, Yoed

2014-01-01

The objective of the current study is to provide the foundation for a computerized training platform for cryosurgery. Consistent with clinical practice, the training process targets the correlation of the frozen region contour with the target region shape, using medical imaging and accepted criteria for clinical success. The current study focuses on system design considerations, including a bioheat transfer model, simulation techniques, optimal cryoprobe layout strategy, and a simulation core framework. Two fundamentally different approaches were considered for the development of a cryosurgery simulator, based on a finite-elements (FE) commercial code (ANSYS) and a proprietary finite-difference (FD) code. Results of this study demonstrate that the FE simulator is superior in terms of geometric modeling, while the FD simulator is superior in terms of runtime. Benchmarking results further indicate that the FD simulator is superior in terms of usage of memory resources, pre-processing, parallel processing, and post-processing. It is envisioned that future integration of a human-interface module and clinical data into the proposed computer framework will make computerized training of cryosurgery a practical reality. PMID:23995400

PIXE as a complement to ICP-OES trace metal analysis in Sudanese medicinal plants.

PubMed

Mubark Ebrahim, Ammar; Etayeb, M A; Khalid, H; Noun, Manale; Roumie, M; Michalke, B

2014-08-01

This paper compares trace element concentrations (Ca, K, Sr, Fe, Mn, Zn, Ni, Cu, Co and Cr) in 27 Sudanese medical plants determined in parallel by PIXE and ICP-OES to get information on which technique is preferable at different matrices and element concentrations. PIXE correlates well to ICP-OES for Sr, Mn, Ca, K, Zn and Fe determinations. ICP-OES seems to be the superior technique over PIXE when measuring low concentrated elements (chromium, cobalt, nickel and copper) in the medicinal plants. Copyright © 2014 Elsevier Ltd. All rights reserved.

Trace-element evidence for the origin of desert varnish by direct aqueous atmospheric deposition

NASA Astrophysics Data System (ADS)

Thiagarajan, Nivedita; Aeolus Lee, Cin-Ty

2004-07-01

Smooth rock surfaces in arid environments are often covered with a thin coating of Fe-Mn oxyhydroxides known as desert varnish. It is debated whether such varnish is formed (a) by slow diagenesis of dust particles deposited on rock surfaces, (b) by leaching from the underlying rock substrate, or (c) by direct deposition of dissolved constituents in the atmosphere. Varnishes collected from smooth rock surfaces in the Mojave Desert and Death Valley, California are shown here to have highly enriched and fractionated trace-element abundances relative to upper continental crust (UCC). They are highly enriched in Co, Ni, Pb and the rare-earth elements (REEs). In particular, they have anomalously high Ce/La and low Y/Ho ratios. These features can only be explained by preferential scavenging of Co, Ni, Pb and the REEs by Fe-Mn oxyhydroxides in an aqueous environment. High field strength elements (HFSEs: Zr, Hf, Ta, Nb, Th), however, show only small enrichments despite the fact that these elements should also be strongly scavenged by Fe-Mn oxyhydroxides. This suggests that their lack of enrichment is a feature inherited from a solution initially poor in HFSEs. The first two scenarios for varnish formation can be ruled out as follows. The high enrichment factors of Fe, Mn and many trace elements cannot be generated by mass loss associated with post-depositional diagenesis of dust particles because such a process predicts only a small increase in concentration. In addition, the highly fractionated abundance patterns of particle reactive element pairs (e.g., Ce/La and Y/Ho) rules out leaching of the rock substrate. This is because if leaching were to occur, varnishes would grow from the inside to the outside, and thus any particle-reactive trace element leached from the substrate would be quantitatively sequestered in the Fe-Mn oxyhydroxide layers, prohibiting any significant elemental fractionations. One remaining possibility is that the Fe, Mn and trace metals in varnish are derived from leaching of dust particles entrained in rain or fog droplets either in the atmosphere or during wet atmospheric deposition. The high trace metal enrichment factors require that most of the dust was physically removed before or during varnish formation. The remaining aqueous counterpart would be depleted in HFSEs and Th relative to the REEs, Co, Ni and Pb because the former are more insoluble and hence largely retained in the removed dust fraction. The high Ce/La ratios suggest that precipitation of trace metals may have been governed by equilibrium partitioning in an excess of wet atmospheric deposition. If varnishes are indeed derived from wet atmospheric deposition, they may provide a record of the aqueous component of atmospheric dust inputs to various environments.

Data-driven train set crash dynamics simulation

NASA Astrophysics Data System (ADS)

Tang, Zhao; Zhu, Yunrui; Nie, Yinyu; Guo, Shihui; Liu, Fengjia; Chang, Jian; Zhang, Jianjun

2017-02-01

Traditional finite element (FE) methods are arguably expensive in computation/simulation of the train crash. High computational cost limits their direct applications in investigating dynamic behaviours of an entire train set for crashworthiness design and structural optimisation. On the contrary, multi-body modelling is widely used because of its low computational cost with the trade-off in accuracy. In this study, a data-driven train crash modelling method is proposed to improve the performance of a multi-body dynamics simulation of train set crash without increasing the computational burden. This is achieved by the parallel random forest algorithm, which is a machine learning approach that extracts useful patterns of force-displacement curves and predicts a force-displacement relation in a given collision condition from a collection of offline FE simulation data on various collision conditions, namely different crash velocities in our analysis. Using the FE simulation results as a benchmark, we compared our method with traditional multi-body modelling methods and the result shows that our data-driven method improves the accuracy over traditional multi-body models in train crash simulation and runs at the same level of efficiency.

Thermoelectric performance and the role of anti-site disorder in the 24-electron Heusler TiFe2Sn.

PubMed

Buffon, Malinda L C; Laurita, Geneva; Lamontagne, Leo; Levin, Emily E; Mooraj, Shahryar; Lloyd, Demetrious L; White, Natalie; Pollock, Tresa M; Seshadri, Ram

2017-10-11

Heusler compounds XY 2 Z with 24 valence electrons per formula unit are potential thermoelectric materials, given their thermal and chemical stability and their relatively earth-abundant constituent elements. We present results on the 24-electron compound TiFe 2 Sn here. First principles calculations on this compound suggest semiconducting behavior. A relatively flat conduction band that could be associated with a high Seebeck coefficient upon electron doping is found. A series of compounds have been prepared and characterized using a combination of synchrotron x-ray and neutron diffraction studies to understand the effects of site order/disorder phenomena and n-type doping. Samples fabricated by a three step processing approach were subjected to high temperature Seebeck and electrical resistivity measurements. Ti:Fe anti-site disorder is present in the stoichiometric compound and these defects are reduced when starting Ti-rich compositions are employed. Additionally, we investigate control of the Seebeck coefficient through the introduction of carriers through the substitution of Sb on the Sn site in these intrinsically p-type materials.

Characterization and analysis of carbon fibre-reinforced polymer composite laminates with embedded circular vasculature

PubMed Central

Huang, C.-Y.; Trask, R. S.; Bond, I. P.

2010-01-01

A study of the influence of embedded circular hollow vascules on structural performance of a fibre-reinforced polymer (FRP) composite laminate is presented. Incorporating such vascules will lead to multi-functional composites by bestowing functions such as self-healing and active thermal management. However, the presence of off-axis vascules leads to localized disruption to the fibre architecture, i.e. resin-rich pockets, which are regarded as internal defects and may cause stress concentrations within the structure. Engineering approaches for creating these simple vascule geometries in conventional FRP laminates are proposed and demonstrated. This study includes development of a manufacturing method for forming vascules, microscopic characterization of their effect on the laminate, finite element (FE) analysis of crack initiation and failure under load, and validation of the FE results via mechanical testing observed using high-speed photography. The failure behaviour predicted by FE modelling is in good agreement with experimental results. The reduction in compressive strength owing to the embedding of circular vascules ranges from 13 to 70 per cent, which correlates with vascule dimension. PMID:20150337

Critical evaluation and thermodynamic optimization of the Iron-Rare-Earth systems

NASA Astrophysics Data System (ADS)

Konar, Bikram

Rare-Earth elements by virtue of its typical magnetic, electronic and chemical properties are gaining importance in power, electronics, telecommunications and sustainable green technology related industries. The Magnets from RE-alloys are more powerful than conventional magnets which have more longevity and high temperature workability. The dis-equilibrium in the Rare-Earth element supply and demand has increased the importance of recycling and extraction of REE's from used permanent Magnets. However, lack of the thermodynamic data on RE alloys has made it difficult to design an effective extraction and recycling process. In this regard, Computational Thermodynamic calculations can serve as a cost effective and less time consuming tool to design a waste magnet recycling process. The most common RE permanent magnet is Nd magnet (Nd 2Fe14B). Various elements such as Dy, Tb, Pr, Cu, Co, Ni, etc. are also added to increase its magnetic and mechanical properties. In order to perform reliable thermodynamic calculations for the RE recycling process, accurate thermodynamic database for RE and related alloys are required. The thermodynamic database can be developed using the so-called CALPHAD method. The database development based on the CALPHAD method is essentially the critical evaluation and optimization of all available thermodynamic and phase diagram data. As a results, one set of self-consistent thermodynamic functions for all phases in the given system can be obtained, which can reproduce all reliable thermodynamic and phase diagram data. The database containing the optimized Gibbs energy functions can be used to calculate complex chemical reactions for any high temperature processes. Typically a Gibbs energy minimization routine, such as in FactSage software, can be used to obtain the accurate thermodynamic equilibrium in multicomponent systems. As part of a large thermodynamic database development for permanent magnet recycling and Mg alloy design, all thermodynamic and phase diagram data in the literature for the fourteen Fe-RE binary systems: Fe-La, Fe-Ce, Fe-Pr, Fe-Nd, Fe-Sm, Fe-Gd, Fe-Tb, Fe-Dy, Fe-Ho, Fe-Er, Fe-Tm, Fe-Lu, Fe-Sc and Fe-Y are critically evaluated and optimized to obtain thermodynamic model parameters. The model parameters can be used to calculate phase diagrams and Gibbs energies of all phases as functions of temperature and composition. This database can be incorporated with the present thermodynamic database in FactSage software to perform complex chemical reactions and phase diagram calculations for RE magnet recycling process.

Combined effects of low-molecular-weight organic acids on mobilization of arsenic and lead from multi-contaminated soils.

PubMed

Onireti, Olaronke O; Lin, Chuxia; Qin, Junhao

2017-03-01

A batch experiment was conducted to examine the combined effects of three common low-molecular-weight organic acids (LMWOAs) on the mobilization of arsenic and lead in different types of multi-contaminated soils. The capacity of individual LMWOAs (at a same molar concentration) to mobilize soil-borne As and Pb varied significantly. The combination of the organic acids did not make a marked "additive" effect on the mobilization of the investigated three elements. An "antagonistic" effect on element mobilization was clear in the treatments involving oxalic acid for some soils. The acid strength of a LMWOA did not play an important role in controlling the mobilization of elements. While the mobilization of As and Pb was closely associated with the dissolution of soil-borne Fe, soil properties such as original soil pH, organic matter contents and the total amount of the element relative to the total Fe markedly complicated the mobility of that element. Aging led to continual consumption of proton introduced from addition of LMWOAs and consequently caused dramatic changes in solution-borne Fe, which in turn resulted in change in As and Pb in the soil solution though different elements behaved differently. Copyright © 2016 Elsevier Ltd. All rights reserved.

Geochemistry of some rare earth elements in groundwater, Vierlingsbeek, The Netherlands.

PubMed

Janssen, René P T; Verweij, Wilko

2003-03-01

Groundwater samples were taken from seven bore holes at depths ranging from 2 to 41m nearby drinking water pumping station Vierlingsbeek, The Netherlands and analysed for Y, La, Ce, Pr, Nd, Sm and Eu. Shale-normalized patterns were generally flat and showed that the observed rare earth elements (REE) were probably of natural origin. In the shallow groundwaters the REEs were light REE (LREE) enriched, probably caused by binding of LREEs to colloids. To improve understanding of the behaviour of the REE, two approaches were used: calculations of the speciation and a statistical approach. For the speciation calculations, complexation and precipitation reactions including inorganic and dissolved organic carbon (DOC) compounds, were taken into account. The REE speciation showed REE(3+), REE(SO(4))(+), REE(CO(3))(+) and REE(DOC) being the major species. Dissolution of pure REE precipitates and REE-enriched solid phases did not account for the observed REEs in groundwater. Regulation of REE concentrations by adsorption-desorption processes to Fe(III)(OH)(3) and Al(OH)(3) minerals, which were calculated to be present in nearly all groundwaters, is a probable explanation. The statistical approach (multiple linear regression) showed that pH is by far the most significant groundwater characteristic which contributes to the variation in REE concentrations. Also DOC, SO(4), Fe and Al contributed significantly, although to a much lesser extent, to the variation in REE concentrations. This is in line with the calculated REE-species in solution and REE-adsorption to iron and aluminium (hydr)oxides. Regression equations including only pH, were derived to predict REE concentrations in groundwater. External validation showed that these regression equations were reasonably successful to predict REE concentrations of groundwater of another drinking water pumping station in quite different region of The Netherlands.

Molecular beam epitaxy growth of SmFeAs(O,F) films with Tc = 55 K using the new fluorine source FeF3

NASA Astrophysics Data System (ADS)

Sakoda, Masahito; Ishii, Akihiro; Takinaka, Kenji; Naito, Michio

2017-07-01

REFeAs(O,F) (RE: rare-earth element) has the highest-Tc (˜58 K) among the iron-based superconductors, but a thin-film growth of REFeAs(O,F) is difficult. This is because it is not only a complex compound consisting of five elements but also requires doping of highly reactive fluorine to achieve superconductivity. We have reported in our previous article that fluorine can be supplied to a film by subliming solid-state fluorides such as FeF2 or SmF3. In this article, we report on the growth of SmFeAs(O,F) using FeF3 as an alternative fluorine source. FeF3 is solid at ambient temperatures and decomposes at temperatures as low as 100-200 °C, and releases fluorine-containing gas during the thermal decomposition. With this alternative fluorine source, we have grown SmFeAs(O,F) films with Tc as high as 55 K. This achievement demonstrates that FeF3 has potential as a fluorine source that can be employed ubiquitously for a thin-film growth of any fluorine containing compounds. One problem specific to FeF3 is that the compound is highly hydroscopic and contains a substantial amount of water even in its anhydrous form. In this article, we describe how to overcome this specific problem.

Redox characterization of the Fe(II)-catalyzed transformation of ferrihydrite to goethite

NASA Astrophysics Data System (ADS)

Jones, Adele M.; Collins, Richard N.; Waite, T. David

2017-12-01

The reduction potential of Fe(II)-Fe(III) (oxyhydr)oxide systems provides an important control on the biogeochemical cycling of redox-sensitive elements such as carbon and nitrogen as well as trace metals and organic contaminants in natural systems. As such, an in-depth understanding of the factors controlling the reduction potential of such systems is critical to predicting the likely transformation, transport and fate of these species in natural and perturbed environments. In this study the mineralogy and reduction potential of ferrihydrite suspensions at pH 6.50 and pH 7.00 were determined over the course of their Fe(II)-catalyzed transformation to lepidocrocite and goethite using X-ray absorption spectroscopy and mediated electrochemical approaches. The measured reduction potentials were compared to those of analogous Fe(II)-Fe(III) (oxyhydr)oxide suspensions reacted for 5 min containing pure ferrihydrite (Fh), lepidocrocite (L) and goethite (Gt). The reduction potentials of the pure Fe(II)-Fe(III) (oxyhydr)oxide suspensions were, respectively, +47.5, -13.5 and -122.3 mV vs. SHE at pH 6.5, and -22.9, -84.1 and -189.7 mV vs. SHE at pH 7. These values are in good agreement with reduction potentials calculated using the Nernst equation and reported thermodynamic solubility products indicating that these suspensions had reached equilibrium within 5 min. The reduction potential of the pH 6.50 Fe(II)-ferrihydrite suspension decreased from +47.4 mV to -126.4 mV over a week, and from -20.1 mV to -188.4 mV (all vs. SHE) after 24 h at pH 7. The changes in reduction potential over time matched well to those calculated from the relative proportion of each pure Fe(III) (oxyhydr)oxide present suggesting that Fe3+ activity was influenced by the mix of iron oxides present rather than the most insoluble solid species. Finally, evidence is provided that adsorbed Fe(II) has the capacity to reduce a significantly larger fraction of a reducible species than the aqueous Fe(II) species with which it is in equilibrium. As an Fe(III) (oxyhydr)oxide suspension in equilibrium with aqueous and adsorbed Fe(II) species possesses a single, unique reduction potential, this suggests that adsorbed Fe(II) is a more facile reductant than aqueous Fe(II).

Minor and trace element concentrations in adjacent kamacite and taenite in the Krymka chondrite

NASA Astrophysics Data System (ADS)

Meftah, N.; Mostefaoui, S.; Jambon, A.; Guedda, E. H.; Pont, S.

2016-04-01

We report in situ NanoSIMS siderophile minor and trace element abundances in individual Fe-Ni metal grains in the unequilibrated chondrite Krymka (LL3.2). Associated kamacite and taenite of 10 metal grains in four chondrules and one matrix metal were analyzed for elemental concentrations of Fe, Ni, Co, Cu, Rh, Ir, and Pt. The results show large elemental variations among the metal grains. However, complementary and correlative variations exist between adjacent kamacite-taenite. This is consistent with the unequilibrated character of the chondrite and corroborates an attainment of chemical equilibrium between the metal phases. The calculated equilibrium temperature is 446 ± 9 °C. This is concordant with the range given by Kimura et al. (2008) for the Krymka postaccretion thermal metamorphism. Based on Ni diffusivity in taenite, a slow cooling rate is estimated of the Krymka parent body that does not exceed ~1K Myr-1, which is consistent with cooling rates inferred by other workers for unequilibrated ordinary chondrites. Elemental ionic radii might have played a role in controlling elemental partitioning between kamacite and taenite. The bulk compositions of the Krymka metal grains have nonsolar (mostly subsolar) element/Ni ratios suggesting the Fe-Ni grains could have formed from distinct precursors of nonsolar compositions or had their compositions modified subsequent to chondrule formation events.

Elemental assessment of vegetation via portable X-ray fluorescence (PXRF) spectrometry.

PubMed

McGladdery, Candice; Weindorf, David C; Chakraborty, Somsubhra; Li, Bin; Paulette, Laura; Podar, Dorina; Pearson, Delaina; Kusi, Nana Yaw O; Duda, Bogdan

2018-03-15

Elemental concentrations in vegetation are of critical importance, whether establishing plant essential element concentrations (toxicity vs. deficiency) or investigating deleterious elements (e.g., heavy metals) differentially extracted from the soil by plants. Traditionally, elemental analysis of vegetation has been facilitated by acid digestion followed by quantification via inductively coupled plasma (ICP) or atomic absorption (AA) spectroscopy. Previous studies have utilized portable X-ray fluorescence (PXRF) spectroscopy to quantify elements in soils, but few have evaluated the vegetation. In this study, a PXRF spectrometer was employed to scan 228 organic material samples (thatch, deciduous leaves, grasses, tree bark, and herbaceous plants) from smelter-impacted areas of Romania, as well as National Institute of Standards and Technology (NIST) certified reference materials, to demonstrate the application of PXRF for elemental determination in vegetation. Samples were scanned in three conditions: as received from the field (moist), oven dry (70 °C), and dried and powdered to pass a 2 mm sieve. Performance metrics of PXRF models relative to ICP atomic emission spectroscopy were developed to asses optimal scanning conditions. Thatch and bark samples showed the highest mean PXRF and ICP concentrations (e.g., Zn, Pb, Cd, Fe), with the exceptions of K and Cl. Validation statistics indicate that the stable validation predictive capacity of PXRF increased in the following order: oven dry intact < field moist < oven dried and powdered. Even under field moist conditions, PXRF could reasonably be used for the determination of Zn (coefficient of determination, R 2 val 0.86; residual prediction deviation, RPD 2.72) and Cu (R 2 val 0.77; RPD 2.12), while dried and powdered samples allowed for stable validation prediction of Pb (R 2 val 0.90; RPD 3.29), Fe (R 2 val 0.80; RPD 2.29), Cd (R 2 val 0.75; RPD 2.07) and Cu (R 2 val 0.98; RPD of 8.53). Summarily, PXRF was shown to be a useful approach for quickly assessing the elemental concentration in vegetation. Future PXRF/vegetation research should explore additional elements and investigate its usefulness in evaluating phytoremediation effectiveness. Copyright © 2018 Elsevier Ltd. All rights reserved.

High Pressure and Temperature Core Formation as an Alternative to the "Late Veneer" Hypothesis

NASA Technical Reports Server (NTRS)

Righter, Kevin; Pando, K.; Humayun, M.; Danielson, L.

2011-01-01

The highly siderophile elements (HSE; Re, Au and the Platinum Group Elements - Pd Pt, Rh, Ru, Ir, Os) are commonly utilized to constrain accretion processes in terrestrial differentiated bodies due to their affinity for FeNi metal [1]. These eight elements exhibit highly siderophile behavior, but nonetheless have highly diverse metal-silicate partition coefficients [2]. Therefore the near chondritic relative concentrations of HSEs in the terrestrial and lunar mantles, as well as some other bodies, are attributed to late accretion rather than core formation [1]. Evaluation of competing theories, such as high pressure metal-silicate partitioning or magma ocean hypotheses has been hindered by a lack of relevant partitioning data for this group of eight elements. In particular, systematic studies isolating the effect of one variable (e.g. temperature or melt compositions) are lacking. Here we undertake new experiments on all eight elements, using Fe metal and FeO-bearing silicate melts at fixed pressure, but variable temperatures. These experiments, as well as some additional planned experiments should allow partition coefficients to be more accurately calculated or estimated at the PT conditions and compositions at which core formation is thought to have occurred.

Potentially toxic elements (PTEs) in soils from the surroundings of the Trans-Amazonian Highway, Brazil.

PubMed

de Souza, Edna Santos; Fernandes, Antonio Rodrigues; de Souza Braz, Anderson Martins; Sabino, Lorena Lira Leite; Alleoni, Luís Reynaldo Ferracciú

2015-01-01

The Trans-Amazonian Highway (TAH) is located in the northern region of Brazil, comprising a border region where agricultural, mining, and logging activities are the main activities responsible for fostering economic development, in addition to large hydroelectric plants. Such activities lead to environmental contamination by potentially toxic elements (PTEs). Environmental monitoring is only possible through the determination of element contents under natural conditions. Many extraction methods have been proposed to determine PTEs' bioavailability in the soil; however, there is no consensus about which extractor is most suitable. In this study, we determined the contents of PTEs in soils in the surroundings of TAH after mineral extraction with diethylenetriaminepentaacetic acid-triethanolamine (DTPA-TEA), Mehlich I, and Mehlich III solutions. Soil samples were collected in areas of natural vegetation in the vicinity of TAH in the state of Pará, Brazil. Chemical attributes and particle size were determined, besides concentrations of Fe, Al, Mn, and Ti by sulfuric acid digestion, Si after alkaline solution attack, and poorly crystalline Fe, Al, and "free" Fe oxides. Mehlich III solution extracted greater contents from Fe, Al, and Pb as compared to Mehlich I and DTPA-TEA and similar contents from Cd, Mn, Zn, and Cu. Significant correlations were found between concentrations of PTEs and the contents of Fe and Mn oxides as well as organic carbon and soil cation exchange capacity. Contents of Cu, Mn, Fe, and Zn by the three methods were positively correlated.

Effectiveness of fortification of corn flour-derived products with hydrogen-reduced elemental iron on iron-deficiency anaemia in children and adolescents in southern Brazil.

PubMed

Miglioranza, Lúcia H S; Breganó, José Wander; Dichi, Isaias; Matsuo, Tiemi; Dichi, Jane Bandeira; Barbosa, Décio Sabbatini

2009-02-01

To find the ideal combination of Fe fortifier and its food vehicle is an essential measure in developing countries. However, its cost also plays an important role. In the present study, the effect on blood parameter values of corn flour-derived products fortified with powdered elemental Fe in the form of H2-reduced Fe was investigated in children and adolescents. One hundred and sixty-two individuals (eighty-six boys and seventy-six girls) from public educational centres in Londrina, Paraná (southern Brazil) participated in the study. Fe-deficiency anaemia (IDA) was defined when Hb and serum ferritin values fell below 12 g/dl and 20 microg/l, respectively; Fe deficiency (ID) was considered when serum ferritin was below 20 microg/l. The prevalence of ID and IDA decreased from 18.0 % and 14.9 %, values found at the beginning of the study, to respectively 5.6 % and 1.2 % after 6 months. Changes from altered to normal values occurred more often than normal to altered values with transferrin saturation (14.2 % v. 6.8 %; P < 0.04) and ferritin (12.4 % v. 0 %; P < 0.001). Hb, transferrin saturation and ferritin showed differences between normal and altered parameters after 6 months (P < 0.001). A pronounced reduction in the prevalence of ID and IDA was observed in children and adolescents following 6 months' ingestion of corn flour-derived products enriched with elemental Fe.

Ferric iron in sediments as a novel CO2 mineral trap: CO 2-SO2 reaction with hematite

USGS Publications Warehouse

Palandri, J.L.; Rosenbauer, R.J.; Kharaka, Y.K.

2005-01-01

Thermodynamic simulations of reactions among SO2-bearing CO 2-dominated gas, water and mineral phases predict that Fe III in sediments should be converted almost entirely to dissolved FeII and siderite (FeCO3), and that SO2 should simultaneously be oxidized to dissolved sulfate. The reactions are however, subject to kinetic constraints which may result in deviation from equilibrium and the precipitation of other metastable mineral phases. To test the prediction, a laboratory experiment was carried out in a well stirred hydrothermal reactor at 150??C and 300 bar with hematite, 1.0 m NaCl, 0.5 m NaOH, SO2 in quantity sufficient to reduce much of the iron, and excess CO2. The experiment produced stable siderite and metastable pyrite and elemental S. Changes in total dissolved Fe are consistent with nucleation of pyrite at ???17 h, and nucleation of siderite at ???600 h. Dissolution features present on elemental S at the conclusion of the experiment suggest nucleation early in the experiment. The experiment did not reach equilibrium after ???1400 h, as indicated by coexistence of hematite with metastable pyrite and elemental sulfur. However, the results confirm that FeIII can be used to trap CO2 in siderite if partly oxidized S, as SO2, is present to reduce the Fe with CO2 in the gas phase. ?? 2005 Elsevier Ltd. All rights reserved.

Creating physically-based three-dimensional microstructures: Bridging phase-field and crystal plasticity models.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lim, Hojun; Owen, Steven J.; Abdeljawad, Fadi F.

In order to better incorporate microstructures in continuum scale models, we use a novel finite element (FE) meshing technique to generate three-dimensional polycrystalline aggregates from a phase field grain growth model of grain microstructures. The proposed meshing technique creates hexahedral FE meshes that capture smooth interfaces between adjacent grains. Three dimensional realizations of grain microstructures from the phase field model are used in crystal plasticity-finite element (CP-FE) simulations of polycrystalline a -iron. We show that the interface conformal meshes significantly reduce artificial stress localizations in voxelated meshes that exhibit the so-called "wedding cake" interfaces. This framework provides a direct linkmore » between two mesoscale models - phase field and crystal plasticity - and for the first time allows mechanics simulations of polycrystalline materials using three-dimensional hexahedral finite element meshes with realistic topological features.« less

Apollo 17 lunar surface cosmic ray experiment - Measurement of heavy solar wind particles

NASA Technical Reports Server (NTRS)

Zinner, E.; Walker, R. M.; Borg, J.; Maurette, M.

1974-01-01

During the Apollo 17 mission a series of metal foils and nuclear track detectors were exposed both in the sun and in the shade on the surface of the moon. Here we give the analysis of the mica detectors which were used to measure the flux of solar wind particles of Fe-group and heavier elements. These particles register as shallow pits after etching in hydrofluoric acid. Calibration experiments were performed to determine the registration properties of different ions and to simulate the lunar environment. We obtain an Fe-group flux of 39,000 per sec per sq cm, which together with the H flux measured on IMP-7 gives an Fe/H ratio of 0.000041. For elements with Z exceeding 45 we can set only an upper limit on the abundance, ruling out an overabundance of extremely heavy elements relative to iron by a factor of 4.

Selective Tuning of Gilbert Damping in Spin-Valve Trilayer by Insertion of Rare-Earth Nanolayers.

PubMed

Zhang, Wen; Zhang, Dong; Wong, Ping Kwan Johnny; Yuan, Honglei; Jiang, Sheng; van der Laan, Gerrit; Zhai, Ya; Lu, Zuhong

2015-08-12

Selective tuning of the Gilbert damping constant, α, in a NiFe/Cu/FeCo spin-valve trilayer has been achieved by inserting different rare-earth nanolayers adjacent to the ferromagnetic layers. Frequency dependent analysis of the ferromagnetic resonances shows that the initially small magnitude of α in the NiFe and FeCo layers is improved by Tb and Gd insertions to various amounts. Using the element-specific technique of X-ray magnetic circular dichroism, we find that the observed increase in α can be attributed primarily to the orbital moment enhancement of Ni and Co, rather than that of Fe. The amplitude of the enhancement depends on the specific rare-earth element, as well as on the lattice and electronic band structure of the transition metals. Our results demonstrate an effective way for individual control of the magnetization dynamics in the different layers of the spin-valve sandwich structures, which will be important for practical applications in high-frequency spintronic devices.

A Fe-C-Ca big cycle in modern carbon-intensive industries: toward emission reduction and resource utilization

PubMed Central

Sun, Yongqi; Sridhar, Seetharaman; Seetharaman, Seshadri; Wang, Hao; Liu, Lili; Wang, Xidong; Zhang, Zuotai

2016-01-01

Herein a big Fe-C-Ca cycle, clarifying the basic element flows and energy flows in modern carbon-intensive industries including the metallurgical industry and the cement industry, was proposed for the first time in the contexts of emission reduction and iron ore degradation nowadays. This big cycle was focused on three industrial elements of Fe, C and Ca and thus it mainly comprised three interdependent loops, i.e., a C-cycle, a Fe-cycle and a Ca-path. As exemplified, we started from the integrated disposal of hot steel slags, a man-made iron resource via char gasification and the employment of hematite, a natural iron resource greatly extended the application area of this idea. Accordingly, based on this concept, the theoretical potentials for energy saving, emission reduction and Fe resource recovery achieved in modern industry are estimated up to 7.66 Mt of standard coal, 63.9 Mt of CO2 and 25.2 Mt of pig iron, respectively. PMID:26923104

A Fe-C-Ca big cycle in modern carbon-intensive industries: toward emission reduction and resource utilization

NASA Astrophysics Data System (ADS)

Sun, Yongqi; Sridhar, Seetharaman; Seetharaman, Seshadri; Wang, Hao; Liu, Lili; Wang, Xidong; Zhang, Zuotai

2016-02-01

Herein a big Fe-C-Ca cycle, clarifying the basic element flows and energy flows in modern carbon-intensive industries including the metallurgical industry and the cement industry, was proposed for the first time in the contexts of emission reduction and iron ore degradation nowadays. This big cycle was focused on three industrial elements of Fe, C and Ca and thus it mainly comprised three interdependent loops, i.e., a C-cycle, a Fe-cycle and a Ca-path. As exemplified, we started from the integrated disposal of hot steel slags, a man-made iron resource via char gasification and the employment of hematite, a natural iron resource greatly extended the application area of this idea. Accordingly, based on this concept, the theoretical potentials for energy saving, emission reduction and Fe resource recovery achieved in modern industry are estimated up to 7.66 Mt of standard coal, 63.9 Mt of CO2 and 25.2 Mt of pig iron, respectively.

Magnetocaloric effect in heavy rare-earth elements doped Fe-based bulk metallic glasses with tunable Curie temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Jiawei; Huo, Juntao; Chang, Chuntao, E-mail: ctchang@nimte.ac.cn, E-mail: dujun@nimte.ac.cn

2014-08-14

The effects of heavy rare earth (RE) additions on the Curie temperature (T{sub C}) and magnetocaloric effect of the Fe-RE-B-Nb (RE = Gd, Dy and Ho) bulk metallic glasses were studied. The type of dopping RE element and its concentration can easily tune T{sub C} in a large temperature range of 120 K without significantly decreasing the magnetic entropy change (ΔS{sub M}) and refrigerant capacity (RC) of the alloys. The observed values of ΔS{sub M} and RC of these alloys compare favorably with those of recently reported Fe-based metallic glasses with enhanced RC compared to Gd{sub 5}Ge{sub 1.9}Si{sub 2}Fe{sub 0.1}. The tunable T{submore » C} and large glass-forming ability of these RE doped Fe-based bulk metallic glasses can be used in a wide temperature range with the final required shapes.« less

Iron deficiency cause changes in photochemistry, thylakoid organization, and accumulation of photosystem II proteins in Chlamydomonas reinhardtii.

PubMed

Devadasu, Elsin Raju; Madireddi, Sai Kiran; Nama, Srilatha; Subramanyam, Rajagopal

2016-12-01

A trace element, iron (Fe) plays a pivotal role in photosynthesis process which in turn mediates the plant growth and productivity. Here, we have focused majorly on the photochemistry of photosystem (PS) II, abundance of proteins, and organization of supercomplexes of thylakoids from Fe-depleted cells in Chlamydomonas reinhardtii. Confocal pictures show that the cell's size has been reduced and formed rosette-shaped palmelloids; however, there is no cell death. Further, the PSII photochemistry was reduced remarkably. Further, the photosynthetic efficiency analyzer data revealed that both donor and acceptor side of PSII were equally damaged. Additionally, the room-temperature emission spectra showed the fluorescence emission maxima increased due to impaired energy transfer from PSII to PSI. Furthermore, the protein data reveal that most of the proteins of reaction center and light-harvesting antenna were reduced in Fe-depleted cells. Additionally, the supercomplexes of PSI and PSII were destabilized from thylakoids under Fe-deficient condition showing that Fe is an important element in photosynthesis mechanism.

Structural classification of RAO/sub 3/(MO)/sub n/ compounds (R = Sc, In, Y, or lanthanides; A = Fe(III), Ga, Cr, or Al; M = divalent cation; n = 1-11)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kimizuka, N.; Mohri, T.

A series of new compounds (RAO/sub 3/MO)/sub n/ (n = 1-11) having spinel, YbFe/sub 2/O/sub 4/, or InFeO/sub 3/(ZnO)/sub n/ types of structures were newly synthesized (R = Sc, In, Y, Lu, Yb, Tm, or Er; A = Fe(III), Ga, Cr, or Al; M = Mg, Mn, Fe(II), Co, Ni, Zn, or Cd) at elevated temperatures. The conditions of synthesis and the lattice constants for these compounds are reported. The stacking sequences of the InO/sub 1.5/, (FeZn)O/sub 2.5/, and ZnO layers for InFeO/sub 3/(ZnO)/sub 10/ and the TmO/sub 1.5/, (AlZn)O/sub 2.5/, and ZnO layers for TmAlO/sub 3/(ZnO)/sub 11/ are presented,more » respectively. The crystal structures of the (RAO/sub 3/)/sub m/(MO)/sub n/ phases R = Sc, In, Y, or lanthanide elements; A = Fe(III), Ga, Cr, or Al; M = divalent cation elements; m and n = integer are classified into four crystal structure types (K/sub 2/NiF/sub 4/, CaFe/sub 2/O/sub 4/, YbFe/sub 2/O/sub 4/, and spinel), based upon the constituent cations R, A, and M.« less

Olivine-hosted melt inclusions as an archive of redox heterogeneity in magmatic systems

NASA Astrophysics Data System (ADS)

Hartley, Margaret E.; Shorttle, Oliver; Maclennan, John; Moussallam, Yves; Edmonds, Marie

2017-12-01

The redox state of volcanic products determines their leverage on the oxidation of Earth's oceans and atmosphere, providing a long-term feedback on oxygen accumulation at the planet's surface. An archive of redox conditions in volcanic plumbing systems from a magma's mantle source, through crustal storage, to eruption, is carried in pockets of melt trapped within crystals. While melt inclusions have long been exploited for their capacity to retain information on a magma's history, their permeability to fast-diffusing elements such as hydrogen is now well documented and their retention of initial oxygen fugacities (fO2) could be similarly diffusion-limited. To test this, we have measured Fe3+/ΣFe by micro-XANES spectroscopy in a suite of 65 olivine-hosted melt inclusions and 9 matrix glasses from the AD 1783 Laki eruption, Iceland. This eruption experienced pre-eruptive mixing of chemically diverse magmas, syn-eruptive degassing at the vent, and post-eruptive degassing during lava flow up to 60 km over land, providing an ideal test of whether changes in the fO2 of a magma may be communicated through to its cargo of crystal-hosted melt inclusions. Melt inclusions from rapidly quenched tephra samples have Fe3+/ΣFe of 0.206 ± 0.008 (ΔQFM of +0.7 ± 0.1), with no correlation between their fO2 and degree of trace element enrichment or differentiation. These inclusions preserve the redox conditions of the mixed pre-eruptive Laki magma. When corrected for fractional crystallisation to 10 wt.% MgO, these inclusions record a parental magma [Fe3+/ΣFe](10) of 0.18 (ΔQFM of +0.4), significantly more oxidised than the Fe3+/ΣFe of 0.10 that is often assumed for Icelandic basalt magmas. Melt inclusions from quenched lava selvages are more reduced than those from the tephra, having Fe3+/ΣFe between 0.133 and 0.177 (ΔQFM from -0.4 to +0.4). These inclusions have approached equilibrium with their carrier lava, which has been reduced by sulfur degassing. The progressive re-equilibration of fO2 between inclusions and carrier melts occurs on timescales of hours to days, causing a drop in the sulfur content at sulfide saturation (SCSS) and driving the exsolution of immiscible sulfide globules in the inclusions. Our data demonstrate the roles of magma mixing, progressive re-equilibration, and degassing in redox evolution within magmatic systems, and the open-system nature of melt inclusions to fO2 during these processes. Redox heterogeneity present at the time of inclusion trapping may be overprinted by rapid re-equilibration of melt inclusion fO2 with the external environment, both in the magma chamber and during slow cooling in lava at the surface. This can decouple the melt inclusion archives of fO2, major and trace element chemistry, and mask associations between fO2, magmatic differentiation and mantle source heterogeneity unless the assembly of diverse magmas is rapidly followed by eruption. Our tools for understanding the redox conditions of magmas are thus limited; however, careful reconstruction of pre- and post-eruptive magmatic history has enabled us to confirm the relatively oxidised nature of ocean island-type mantle compared to that of mid-ocean ridge mantle.

High-pressure and high-temperature phase diagram for Fe0.9Ni0.1-H alloy

NASA Astrophysics Data System (ADS)

Shibazaki, Yuki; Terasaki, Hidenori; Ohtani, Eiji; Tateyama, Ryuji; Nishida, Keisuke; Funakoshi, Ken-ichi; Higo, Yuji

2014-03-01

Planetary cores are considered to consist of an iron-nickel (Fe-Ni) alloy and light elements and hydrogen is one of plausible light elements in the core. Here we have performed in situ X-ray diffraction experiments on an Fe0.9Ni0.1-H system up to 15.1 GPa and 1673 K, and investigated the effect of Ni on phase relations of FeHx under high pressure and high temperature. The experimental system in the present work was oversaturated with hydrogen. We found a face-center-cubic (fcc) phase (with hydrogen concentration up to x∼1) and a body-center-cubic (bcc) phase (x < 0.1) as stable phases. The partial melting was observed below 6 GPa. We could not observe a double-hexagonal-close-packed (dhcp) phase because of limitations in pressure and temperature conditions. The stability field of each phase of Fe0.9Ni0.1Hx was almost same as that of FeHx. The solidus of Fe0.9Ni0.1Hx was 500-700 K lower than the melting curve of Fe and its liquidus was 400-600 K lower than that of Fe in the pressure range of this study. Both the solidus and liquidus of Fe0.9Ni0.1Hx were depressed at around 3.5 GPa, as was the solidus of FeHx. The hydrogen contents in fcc-Fe0.9Ni0.1Hx just below solidus were slightly lower than those of fcc-FeHx, which suggests that nickel is likely to prevent dissolution of hydrogen into iron. Due to the lower hydrogen solubilities in Fe0.9Ni0.1 compared to Fe, the solidus of Fe0.9Ni0.1Hx is about 100-150 K higher than that of FeHx.

Micro-spatial variation of elemental distribution in estuarine sediment and their accumulation in mangroves of Indian Sundarban.

PubMed

Bakshi, Madhurima; Ram, S S; Ghosh, Somdeep; Chakraborty, Anindita; Sudarshan, M; Chaudhuri, Punarbasu

2017-05-01

This work describes the micro-spatial variation of elemental distribution in estuarine sediment and bioaccumulation of those elements in different mangrove species of the Indian Sundarbans. The potential ecological risk due to such elemental load on this mangrove-dominated habitat is also discussed. The concentrations of elements in mangrove leaves and sediments were determined using energy-dispersive X-ray fluorescence spectroscopy. Sediment quality and potential ecological risks were assessed from the calculated indices. Our data reflects higher concentration of elements, e.g., Al, K, Ca, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn, and Pb, in the sediment, as compared to that reported by earlier workers. Biological concentration factors for K, Ca, Mn, Fe, Cu, and Zn in different mangroves indicated gradual elemental bioaccumulation in leaf tissues (0.002-1.442). Significant variation was observed for elements, e.g., Ni, Mn, and Ca, in the sediments of all the sites, whereas in the plants, significant variation was found for P, S, Cl, K, Ca, Mn, Fe, Cu, and Zn. This was mostly due to the differences in uptake and accumulation potential of the plants. Various sediment quality indices suggested the surface sediments to be moderately contaminated and suffering from progressive deterioration. Cu, Cr, Zn, Mn, and Ni showed higher enrichment factors (0.658-1.469), contamination factors (1.02-2.7), and geo-accumulation index (0.043-0.846) values. The potential ecological risk index values considering Cu, Cr, Pb, and Zn were found to be within "low ecological risk" category (20.04-24.01). However, Cr and Ni in the Sundarban mangroves exceeded the effect range low and probable effect level limits. Strong correlation of Zn with Fe and K was observed, reflecting their similar transportation and accumulation process in both sediment and plant systems. The plant-sediment elemental correlation was found to be highly non-linear, suggesting role of some physiological and edaphic factors in the accumulation process. Overall, the study of micro-spatial distribution of elements can act as a useful tool for determining health of estuarine ecosystem.

Cathode refunctionalization as a lithium ion battery recycling alternative

NASA Astrophysics Data System (ADS)

Ganter, Matthew J.; Landi, Brian J.; Babbitt, Callie W.; Anctil, Annick; Gaustad, Gabrielle

2014-06-01

An approach to battery end-of-life (EOL) management is developed involving cathode refunctionalization, which enables remanufacturing of the cathode from EOL materials to regain the electrochemical performance. To date, the optimal end-of-life management of cathode materials is based on economic value and environmental impact which can influence the methods and stage of recycling. Traditional recycling methods can recover high value metal elements (e.g. Li, Co, Ni), but still require synthesis of new cathode from a mix of virgin and recovered materials. Lithium iron phosphate (LiFePO4) has been selected for study as a representative cathode material due to recent mass adoption and limited economic recycling drivers due to the low inherent cost of iron. Refunctionalization of EOL LiFePO4 cathode was demonstrated through electrochemical and chemical lithiation methods where the re-lithiated LiFePO4 regained the original capacity of 150-155 mAh g-1. The environmental impact of the new recycling technique was determined by comparing the embodied energy of cathode material originating from virgin, recycled, and refunctionalized materials. The results demonstrate that the LiFePO4 refunctionalization process, through chemical lithiation, decreases the embodied energy by 50% compared to cathode production from virgin materials.