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All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Modeling Progressive Failure of Bonded Joints Using a Single Joint Finite Element

Enhanced finite elements are elements with an embedded analytical solution which can capture detailed local fields, enabling more efficient, mesh-independent finite element analysis. In the present study, an enhanced finite element is applied to generate a general framework capable of modeling an array of joint types. The joint field equations are derived using the principle of minimum potential energy, and the resulting solutions for the displacement fields are used to generate shape functions and a stiffness matrix for a single joint finite element. This single finite element thus captures the detailed stress and strain fields within the bonded joint, but it can function within a broader structural finite element model. The costs associated with a fine mesh of the joint can thus be avoided while still obtaining a detailed solution for the joint. Additionally, the capability to model non-linear adhesive constitutive behavior has been included within the method, and progressive failure of the adhesive can be modeled by using a strain-based failure criteria and re-sizing the joint as the adhesive fails. Results of the model compare favorably with experimental and finite element results.

Stapleton, Scott E.↗
NASA NTRS2012

Influence of Finite Element Size in Residual Strength Prediction of Composite Structures

The sensitivity of failure load to the element size used in a progressive failure analysis (PFA) of carbon composite center notched laminates is evaluated. The sensitivity study employs a PFA methodology previously developed by the authors consisting of Hashin-Rotem intra-laminar fiber and matrix failure criteria and a complete stress degradation scheme for damage simulation. The approach is implemented with a user defined subroutine in the ABAQUS/Explicit finite element package. The effect of element size near the notch tips on residual strength predictions was assessed for a brittle failure mode with a parametric study that included three laminates of varying material system, thickness and stacking sequence. The study resulted in the selection of an element size of 0.09 in. X 0.09 in., which was later used for predicting crack paths and failure loads in sandwich panels and monolithic laminated panels. Comparison of predicted crack paths and failure loads for these panels agreed well with experimental observations. Additionally, the element size vs. normalized failure load relationship, determined in the parametric study, was used to evaluate strength-scaling factors for three different element sizes. The failure loads predicted with all three element sizes provided converged failure loads with respect to that corresponding with the 0.09 in. X 0.09 in. element size. Though preliminary in nature, the strength-scaling concept has the potential to greatly reduce the computational time required for PFA and can enable the analysis of large scale structural components where failure is dominated by fiber failure in tension.

Satyanarayana, Arunkumar↗
NASA NTRS2014

Nuclear Thermal Rocket Element Environmental Simulator (NTREES) Upgrade Activities

Over the past year the Nuclear Thermal Rocket Element Environmental Simulator (NTREES) has been undergoing a significant upgrade beyond its initial configuration. The NTREES facility is designed to perform realistic non-nuclear testing of nuclear thermal rocket (NTR) fuel elements and fuel materials. Although the NTREES facility cannot mimic the neutron and gamma environment of an operating NTR, it can simulate the thermal hydraulic environment within an NTR fuel element to provide critical information on material performance and compatibility. The first phase of the upgrade activities which was completed in 2012 in part consisted of an extensive modification to the hydrogen system to permit computer controlled operations outside the building through the use of pneumatically operated variable position valves. This setup also allows the hydrogen flow rate to be increased to over 200 g/sec and reduced the operation complexity of the system. The second stage of modifications to NTREES which has just been completed expands the capabilities of the facility significantly. In particular, the previous 50 kW induction power supply has been replaced with a 1.2 MW unit which should allow more prototypical fuel element temperatures to be reached. The water cooling system was also upgraded to so as to be capable of removing 100% of the heat generated during. This new setup required that the NTREES vessel be raised onto a platform along with most of its associated gas and vent lines. In this arrangement, the induction heater and water systems are now located underneath the platform. In this new configuration, the 1.2 MW NTREES induction heater will be capable of testing fuel elements and fuel materials in flowing hydrogen at pressures up to 1000 psi at temperatures up to and beyond 3000 K and at near-prototypic reactor channel power densities. NTREES is also capable of testing potential fuel elements with a variety of propellants, including hydrogen with additives to inhibit corrosion of certain potential NTR fuel forms. Additional diagnostic upgrades included in the present NTREES set up include the addition of a gamma ray spectrometer located near the vent filter to detect uranium fuel particles exiting the fuel element in the propellant exhaust stream to provide additional information any material loss occurring during testing. Other aspects of the upgrade included reworking NTREES to reduce the operational complexity of the system despite the increased complexity of the induction heating system. To this end, many of the controls were consolidated on fewer panels. As part of this upgrade activity, the Safety Assessment (SA) and the Standard Operating Procedures (SOPs) for NTREES were extensively rewritten. The new 1.2 MW induction heater consists of three physical units consisting of a transformer, rectifier, and inverter. This multiunit arrangement facilitated increasing the flexibility of the induction heater by more easily allowing variable frequency operation. Frequency ranges between 20 and 60 kHz can be accommodated in the new induction heater allowing more representative power distributions to be generated within the test elements.

Emrich, William J., Jr.↗
NASA NTRS2017

Measuring Surface Bulk Elemental Composition on Venus

The extreme surface environment (462 C, 93 bars pressure) of Venus makes subsurface measurements of its bulk elemental composition extremely challenging. Instruments landed on the surface of Venus must be enclosed in a pressure vessel. The high surface temperatures also require a thermal control system to keep the instrumentation temperatures within their operational range for as long as possible. Since Venus surface probes can currently operate for only a few hours, it is crucial that the lander instrumentation be able to make statistically significant measurements in a short time. An instrument is described that can achieve such a measurement over a volume of thousands of cubic centimeters of material by using high energy penetrating neutron and gamma radiation. The instrument consists of a Pulsed Neutron Generator (PNG) and a Gamma-Ray Spectrometer (GRS). The PNG emits isotropic pulses of 14.1 MeV neutrons that penetrate the pressure vessel walls, the dense atmosphere and the surface rock. The neutrons induce nuclear reactions in the rock to produce gamma rays with energies specific to the element and nuclear process involved. Thus the energies of the detected gamma rays identify the elements present and their intensities provide the abundance of each element. The GRS spectra are analyzed to determine the Venus elemental composition from the spectral signature of individual major, minor, and trace radioactive elements. As a test of such an instrument, a Schlumberger Litho Scanner oil well logging tool was used in a series of experiments at NASA's Goddard Space Flight Center. The Litho Scanner tool was mounted above large (1.8 m x 1.8 m x.9 m) granite and basalt monuments and made a series of one-hour elemental composition measurements in a planar geometry more similar to a planetary lander measurement. Initial analysis of the results shows good agreement with target elemental assays

Venus↗
NASA NTRS2019

Elemental Variation and Petrogenesis of Pyroxenes in HED Meteorites by Multivariable Discriminant Analysis Method

HED (Howardite, Eucrite and Diogenite) are meteorites with mafic and ultramafic igneous composition. Previous studies suggested HED came from asteroid (4) Vesta and they were generated by magmatic melting followed by differentiation crystallization, metamorphic, and impact. Uniform oxygen isotopic composition of HED samples favors global magma ocean for (4) Vesta. However, the petrological diversity of HED may indicate more complex magma processes in the meteorites. In general, most of the geochemical studies are using traditional methods (e.g. element to element or ratio to ratio plots) to classify the different rock type and groups. With the traditional methods, only limited elements can be shown in a figure. As such, some meteorites may have been identified as HED by a traditional method but found different either in isotopic composition or other elemental characteristic. These anomalous HED meteorites may or may not come from asteroid (4) Vesta. In fact, magma is a unit system where any elemental change should affect to all other elements as a whole, it would be reasonable to consider all elements together to look for the systematical changes. Using multivariable discriminant analysis (MDA) method is one of such testing for their geochemical variation. The method may be able to help us to better understand the petrologic processes and the relationship among elements. This study is to test the MDA method by focus mainly on pyroxene composition of eucrite and diogenite.

Peng, Z. X.↗
NASA NTRS2017

Computationally Efficient Beam Elements for Accurate Stresses in Sandwich Laminates and Laminated Composites with Delaminations

Laminated composites are prone to delamination failure due to the lack of reinforcement through the thickness. Therefore, during the design process the initiation and propagation of delaminations should be accounted for as early as possible. This paper presents computationally efficient nine degree-of-freedom (dof) and eight-dof shear locking-free beam elements using the mixed form of the refined zigzag theory (RZT(sup(m))). The corresponding nine-dof and eight-dof elements use the anisoparametric and constrained anisoparametric interpolation schemes, respectively, to eliminate shear locking in slender beams. The advantage of the present element over previous RZT beam elements is that no post-processing is required to accurately model the transverse shear stress while maintaining the computational efficiency of a low-order beam element. Comparisons with high-fidelity finite element models and three-dimensional elasticity solutions show that the elements can robustly and accurately predict the displacement field, axial stress and transverse shear stress through the thickness of a sandwich beam or a composite laminate with an embedded delamination. In fact, the accuracy and computational efficiency of predicting stresses in laminates with embedded delaminations make the present elements attractive choices for RZT-based delamination initiation and propagation methodologies available in the literature.

R. M. J. Groh↗
NASA NTRSDate not supplied

Trace Elemental Abundances in Calcium-Aluminum-Rich Inclusions in CV Chondrites

Introduction: Calcium-aluminum-rich inclusions (CAIs), are the first formed solids that define the age of the Solar System [1,2]. CAIs are thought to have condensed from nebular gas [3,4] within the first <1 Ma of Solar System formation [5,6]. CAIs have experienced numerous early Solar System processes including condensation, evaporation, melting, recrystallization, and aqueous alteration [e.g., 7]. The chemical, mineralogical, and textural diversity among CAIs results from a range of chemical and physical processes recorded during nebular and parent body epoch. This study aims to explore the mineralogical, textural, and chemical compositions of CAIs including the trace elemental abundances in CAI phases to determine the early Solar System processes recorded in them. Samples and Analytical Methods: We analyzed one CAI each from CV3 chondrites Northwest Africa (NWA) 5508 designated as ‘Saguaro’, and Northwest Africa (NWA) 12772 designated as ‘Hoopoe’. Back-scatter electron (BSE) images were collected using a Phenom XL scanning electron microscope (SEM) at the Lunar and Planetary Institute (LPI) and the JEOL JXA-8530F electron probe microanalyzer (EPMA) at Johnson Space Center (JSC)-NASA. Additionally, energy dispersive X-ray spectrometry (EDS) elemental maps of select areas for these samples were collected using a 15.0kV beam energy and a 40µA emission current. Using the EPMA, wavelength-dispersive X-ray spectroscopy (WDS) quantitative data were collected. In-situ trace element measurements for both CAIs were determined at JSC-NASA using a Photon Machines 193nm laser ablation system and a Thermo-Scientific Element-XR inductively coupled plasma mass spectrometer (ICP-MS). Analyses consisted of 30s ablations at 10Hz, spot sizes of 20-25µm, and a fluence of 6.0 J/cm2 for anorthite and melilite, and a 3.5 J/cm2 fluence for all other phases. NIST612 was used to correct for instrument drift, while BHVO-2g was used as a primary calibration standard. BCR-2g and in-house mineral standards were regularly measured as unknowns to ensure accuracy. Results: Saguaro is a coarse-grained CAI, ~11 x 6 mm in dimensions. Saguaro contains spinel, Al-rich pyroxene, anorthite, Mg-rich melilite, and minor perovskite in its interior and is therefore classified as a Type B CAI. Individual melilite grains shows normal compositional zoning with an Ak content ranging from ~24 to 54 with no apparent trend from the core to the edge of the CAI. The spinel appears euhedral and occurs both as clusters and as spinel palisades [8]. Two rim sequences surround most of the sample: the inner rim being a Wark-Lovering (WL) rim (~10-35 µm) containing pyroxene, spinel, and melilite (or anorthite), and the outer rim is a finer-grained, thicker (~100 µm), accretionary rim (Fig. 1). The mineral phases in Saguaro record an overall flat REE pattern with an average negative Eu anomaly in pyroxene, and an average positive Eu anomaly in anorthite and melilite respectively. Anorthite, melilite, and pyroxene have a minor depletion in Tm (Fig. 2). The Hoopoe CAI is a compact, coarse-grained ~6 × 4 mm in size. The major mineralogy includes hibonite, spinel, melilite, anorthite, and perovskite. Therefore, it is classified as a compact transitional type A and B. (?)zoning was observed in some hibonites. Individual melilite grains show both reverse and normal zoning, where the Ak content ranges from ~6- to 28. Melilite shows two distinct textures. One texture consisted of smooth melilite that appeared homogenous, while the second appeared to consist of many fine fractures. The spinel also often appears clustered. The WL-rim sequence surrounding Hoopoe is ~25 µm thick and composed of spinel, perovskite, hibonite, and melilite/anorthite. It is then partially surrounded by an outer accretionary rim (~75µm). Like before, refractory metal nuggets appeared concentrated near the WL rims. Other metal assemblages rich in Fe and Ni were also observed. All major mineral phases in Hoopoe display relatively flat REE patterns, except for varying Eu and Tm between phases (Fig. 2). There is a prominent negative Eu anomaly in perovskite and an average positive Eu anomaly in spinel, anorthite, and hibonite respectively (Fig. 2, 3). The mixed phases along the rim of the CAI also display a negative Eu anomaly, and all phases the CAI were depleted in Pb. Discussion: The CV3 CAIs analyzed in this study were classified based on their mineralogy and textures into Type A versus Type B CAIs [10]. Hibonite appears to be pseudomorphically replacing the spinel, (i.e., is hibonite in composition, but appears in the shape of spinel). Spinel palisades. The presence of spinel palisades present in Saguaro are consistent with the melting and recrystallization experienced by this CAI. Trace elemental analyses. Saguaro and Hoopoe display similar trace element patterns to each other, with both appearing generally flat, with anomalies in Eu, and Tm. Melilite and anorthite display positive Eu anomalies in both CAIs, in addition to the hibonite in Hoopoe (Fig. 2). The phases that are depleted in Eu are pyroxene and perovskite in both Saguaro and Hoopoe, respectively (Fig. 3). Given that Eu is volatile in reducing environments [11], this could possibly indicate reducing conditions at the time anorthite and melilite crystallized, with the gas they formed from containing Eu. As these CAIs continued to form, this gas as a result would become depleted in Eu. This also could be supported by the propensity of anorthite and melilite to take up Eu from its surroundings and incorporate it into their structure [12]. In addition, analyzing the assemblage of the phases in the Saguaro, melilite and anorthite (Eu enriched) often surround the pyroxene (Eu depleted) as they are crystallized. This intergrowth of phases and the proximity of the phases would support that the Eu is being incorporated into some phases, preventing it from incorporating into other. Trace elemental analyses of the CAI rims will be evaluated in more detail, as they are complicated by the transient signal being composed of a mixture of mineral phases. Broadly, however, the patterns in the rims of both CAIs are comparable to each other, and for Hoopoe, to the mixed phase patterns in the core (Fig. 3). Other studies have found that CAI rims can be depleted in Ce and Yb [13], however we did not observe these anomalies in the two CAIs discussed here. Given their similarity, the trace elemental analyses of the mixed interior (i.e. core) and rim phases could be interpreted as forming from similar, if not the same, reservoirs. The REE abundance between the rim and core of Hoopoe are also similar, indicating they may have formed from a gas of the same or similar composition. Acknowledgments: We thank the ASU Center for Meteorite Studies for loaning the samples used in this work and Tabb Prissel for his assistance with the analysis. Mouti Al-Hashimi thanks Sam Crossley and Cyrena Goodrich for their help with the LPI SEM training. This work was supported by the LPI Summer Intern Program in Planetary Science and the LPI Cooperative Agreement. References: [1] Connelly J.N. (2012) Science, 338, 651-655. [2] MacPherson G. J. (2014) Treatise on Geochem., 2, 139-179. [3] Grossman L. (1972) GCA, 36, 597-619. [4] Ebel, D.S. (2006) Meteorites and the Early Solar System II (D. S. Lauretta & H. Y. McSween, Eds.) 253-277. [5] MacPherson G. J. (2012) Earth Planet. Sci. Lett., 331-332, 43-54. [6] MacPherson G.J. (2017) GCA, 201, 65-82. [7] Krot A.N. (1995) Meteoritics & Planet. Sci., 30, 748-775. [8] Wark and Lovering (1982) GCA, 46, 2595-2607. [9] Palme H. and Jones A. (2003) Treatise on Geochemistry (H. D. Holland and K. K. Turekian Eds.), 1, 41-61. [10] Grossman L. (1980) Ann. Rev. Earth Planet. Sci., 8, 559-608. [11] Floss C. et al. (1996) GCA, 60, 1975-1997. [12] Mason B. and Martin P. M. (1974) Earth Planet. Sci. Lett., 22, 141-144. [13] Wark B. and Boynton W. V. (2001) Meteoritics & Planet. Sci., 36, 1135-1166.

X Mouti↗
NASA NTRS2024

Bulk Major and Trace Elemental Composition of an Aggregate Sample From Asteroid Bennu

On September 24, 2023, NASA’s OSIRIS-REx mission returned a capsule to Earth carrying material from asteroid Bennu. This event was the first time a U.S. mission delivered pristine samples from an asteroid and is the largest asteroid sample return to date. As these samples represent some of the oldest, most primitive, and pristine materials available to us, and which originate from a known and well-studied asteroid, they allow us a rare opportunity to gain a better understanding of the formation and evolution of our solar system. Key to understanding the material returned from asteroid Bennu is establishing its bulk chemical composition. Previous studies have shown that each chondrite group has a distinct elemental composition. For the carbonaceous chondrites specifically, each group exhibits a distinct pattern of moderately and highly volatile elemental depletions, relative to CI chondrites. CI chondrites are considered the most primitive chondrite group and broadly represent the solar photosphere composition. The two most striking features of these depletion patterns is that the moderately volatile element depletions increase with decreasing 50% condensation temperature and then plateau out at abundances that roughly correlate with matrix abundance. Due to these distinctive patterns, bulk elemental composition has become an important classification tool for establishing the different chondrite groups and the connections between them. As such, determining the bulk chemical composition of the Bennu aggregates will help to test two mission hypothesis: “Bennu’s bulk elemental composition reflects that of its main parent asteroid and is similar to the composition of the Sun, with depletions in moderately to highly volatile elements” and “Bennu’s dominant lithologies are comparable in bulk mineralogy, petrology, and composition to the most aqueously altered carbonaceous chondrites” . Furthermore as the carbonaceous and non-carbonaceous chondrites are thought to have likely formed in the inner and outer protoplanetary disk, respectively (e.g., [8]), determining the bulk chemical compositions of the Bennu aggregates will also help test the major mission hypothesis that “Bennu's parent body formed beyond the snow line by accretion of material in the pro-toplanetary disk” . Regarding chondrite formation, observed elemental patterns have been successfully used to model how the mixing of volatile-rich and volatile-poor chondritic components can produce the observed carbonaceous chondrites groups. They have also been significant in investigating how volatilization processes influenced chondrite formation. As such, establishing bulk chemical compositions of the pristine Bennu samples is vital for understanding the asteroid, and solar system formation. To begin this processes, we analyzed the bulk major and trace elemental compositions of Bennu aggregates.

P Koefoed↗
DOE OSTI2022

Removal of Bond Sodium from Full-Length Unirradiated Fermi-1 Blanket Elements and Assembly via Melt-Drain-Evaporate Process

Equipment was designed, fabricated, tested, and operated in an inert atmosphere radiological glovebox at Idaho National Laboratory to demonstrate the removal of bond sodium from full-length unirradiated Fermi-1 radial blanket elements and an entire radial blanket assembly using a Melt-Drain-Evaporate process. A series of three runs was performed with individual and multiple radial Fermi-1 blanket elements, and a fourth run was conducted with an entire Fermi-1 radial blanket assembly. After each run, the depleted uranium alloy slugs in every element slid out of its cladding, mechanically exhibiting the effectual absence of bond sodium. Quantitative and further qualitative analyses of the treated Fermi-1 material revealed the substantive, if not complete, absence of sodium metal in blanket element components. Indeed, entire columns of depleted uranium alloy slugs and associated cladding from select treated elements were separately contacted with water to react with residual sodium metal on the element surfaces, forming hydrogen gas. Samples of the resultant gas were analyzed to quantify the hydrogen concentration, which correlated to a residual sodium metal content for the treated element. Accordingly, no detectable sodium metal (<7 µg) was found on the surfaces of multiple depleted uranium alloy slugs after removal from its cladding. Detectable sodium metal, ranging from 14 to 30 µg, was found on the surfaces of one separated column of slugs and two separated full-length cladding segments. Each element originally contained ~25 g of bond sodium, resulting in quantitative sodium metal removal efficiencies of =99.9998%. The remaining separated uranium alloy slugs and cladding segments from the four runs were piece-wise immersed in alcohol while videorecording possible gas bubble formation as an additional qualitative analysis for residual sodium metal on treated surfaces, which identified the predominant absence of sodium reactivity on the balance of treated Fermi-1 blanket material. The results of this demonstration substantiate a path forward for treatment and disposal of 34 metric tons heavy metal of irradiated sodium-bonded Fermi-1 blanket material currently stored at Idaho National Laboratory.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Magnetic Nanofluid Rare Earth Element Extraction Process Report, Techno Economic Analysis, and Results for Geothermal Fluids

This GDR submission is an interim technical report and raw data files from the first year of testing on functionalized nanoparticles for rare earth element extraction from geothermal fluids. The report contains Rare Earth Element uptake results (percent removal, mg Rare Earth Element/gram of sorbent, distribution coefficient) for the elements of Neodymium, Europium, Yttrium, Dysprosium, and Cesium. A detailed techno economic analysis is also presented in the report for a scaled up geothermal rare earth element extraction process. All rare earth element uptake testing was done on simulated geothermal brines with one rare earth element in each brine. The rare earth element uptake testing was conducted at room temperature.

15 GEOTHERMAL ENERGY↗
DOE OSTI2018

Variational multiscale element-free Galerkin method combined with the moving Kriging interpolation for solving some partial differential equations with discontinuous solutions

Solving partial differential equations with discontinuous solutions is an important challenging problem in numerical analysis. To this end, there are some methods such as finite volume method, discontinuous Galerkin approach and particle technique that are able to solve these problems. In the current paper, the moving Kriging element-free Galerkin method has been combined with the variational multiscale algorithm to obtain acceptable and high-resolution solutions. For testing this technique, we select some PDEs with discontinuous solution such as Burgers’, Sod’s shock tube, advection–reaction–diffusion, Kuramoto–Sivashinsky, Boussinesq and shallow water equations. First, we obtain a time-discrete scheme by approximating time derivative via finite difference technique. Then we introduce the moving Kriging interpolation and also obtain their shape functions. We use the element-free Galerkin method for approximating the spatial derivatives. This method uses a weak form of the considered equation that is similar to the finite element method with the difference that in the classical element-free Galerkin method test and trial functions are moving least squares approximation (MLS) shape functions. Since the shape functions of moving least squares (MLS) approximation do not have Kronecker delta property, we cannot implement the essential boundary condition, directly. Thus, we employ the shape functions of moving Kriging interpolation and radial point interpolation technique which have the mentioned property. Also, in the element-free Galekin method, we do not use any triangular, quadrangular or other type of meshes. The element-free Galerkin method is a global method while finite element method is a local one. This technique employs a background mesh for integration which makes it different from the truly mesh procedures. Several test problems are solved and numerical simulations are reported which confirm the efficiency of the proposed schemes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

First-principles search for alloying elements that increase corrosion resistance of Mg with second-phase particles of transition metal impurities

A significant challenge for applications of Mg alloys is their poor corrosion resistance and hence Mg alloys designs with built-in corrosion resistance are of significant interest. Corrosion can result from the coupling of anodic dissolution of Mg and cathodic reduction of water on impurities such as Iron (Fe)-rich second-phase particles. Experiments have shown that small quantities of Arsenic (As) or Germanium (Ge) can inhibit Mg corrosion, possibly slowing the hydrogen evolution reaction (HER) as the cathodic reaction on Fe surfaces. Since a broader experimental search across the periodic table for other Mg corrosion inhibiting elements is unavailable, we designed thermodynamic and HER criteria, and used high-throughput computations to search a pool of 68 elements including As and Ge that can segregate from bulk Mg to surfaces of Fe particles and impede the HER there. Our computational procedure predicts that six p-block elements meet these criteria, and they rank according to their ability to reduce H adsorption energies and the HER rate as follows: As > Ge > Si > Ga > P ≈ Al. Results for As, the most effective corrosion-inhibiting element, and Ge are in qualitative accord with recent experiments. Further, while none of the 68 elements was found to enhance H adsorption, the six p-block elements reduce H adsorption via strong orbital overlap (Pauli repulsion) between their outer-shell orbitals and the s orbitals of H adsorbates. These p-block elements are also found to have the potential to reduce HER on surfaces of Ni second-phase particles in Mg according to the same criteria, but not on surfaces of Cu second-phase particles.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Multi-element least square HDMR methods and their applications for stochastic multiscale model reduction

Stochastic multiscale modeling has become a necessary approach to quantify uncertainty and characterize multiscale phenomena for many practical problems such as flows in stochastic porous media. The numerical treatment of the stochastic multiscale models can be very challengeable as the existence of complex uncertainty and multiple physical scales in the models. To efficiently take care of the difficulty, we construct a computational reduced model. To this end, we propose a multi-element least square high-dimensional model representation (HDMR) method, through which the random domain is adaptively decomposed into a few subdomains, and a local least square HDMR is constructed in each subdomain. These local HDMRs are represented by a finite number of orthogonal basis functions defined in low-dimensional random spaces. The coefficients in the local HDMRs are determined using least square methods. We paste all the local HDMR approximations together to form a global HDMR approximation. To further reduce computational cost, we present a multi-element reduced least-square HDMR, which improves both efficiency and approximation accuracy in certain conditions. To effectively treat heterogeneity properties and multiscale features in the models, we integrate multiscale finite element methods with multi-element least-square HDMR for stochastic multiscale model reduction. This approach significantly reduces the original model's complexity in both the resolution of the physical space and the high-dimensional stochastic space. We analyze the proposed approach, and provide a set of numerical experiments to demonstrate the performance of the presented model reduction techniques. - Highlights: • Multi-element least square HDMR is proposed to treat stochastic models. • Random domain is adaptively decomposed into some subdomains to obtain adaptive multi-element HDMR. • Least-square reduced HDMR is proposed to enhance computation efficiency and approximation accuracy in certain conditions. • Integrating MsFEM and multi-element least square HDMR can significantly reduce computation complexity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Characterizing major and trace element compositions in fallout melt glass from a near-surface nuclear test

We report the chemical and isotopic compositions of fallout melt glasses from nuclear tests contain a range of information constraining the physical conditions within the fireball and the mechanisms of fallout formation but historic studies tended to exclude the behavior of stable major and trace elements. Here, we present a large study specifically focused on major and trace element relationships within a population of macroscale fallout samples from a single event. We interpret these data to better constrain how fallout melt glass formation in near surface environments is influenced by that environment and demonstrate how major and trace element abundances can provide useful insights into chemical processes within the fireball. Data confirm that the uranium in the fallout glass population derives from two isotopically distinct endmembers: isotopically enriched uranium (presumably from the weapon), and natural composition uranium that may be a combination of anthropogenic and environmental materials from within the blast zone. The similarity between major and trace element concentrations in fallout and corresponding local soils from the event site confirm the local soils as the most probable source of entrained material into the fireball and the source of carrier material into which the bomb vapor was incorporated. The lack of correlation between major and trace element abundances with size indicates that volatility driven processes, such as condensation from the fireball, do not control the composition of macroscale fallout melt glass. Although the fallout has major and trace element chemical characteristics broadly similar to those of the local, associated soils, some systematic differences are observed between the two populations. Fallout melt glass is depleted in volatile elements such as K, Na, Tl and Pb, consistent with heating to temperatures above ~1000 °C for 3-10 s. This is supported by the results of laser heating experiments performed on rhyolitic soil at temperatures (1600-2200 °C) and timescales (1-120 s) that are broadly relevant to fallout formation conditions. Relative enrichments of metals such as Cu and Co do not correlate with the abundance of uranium, suggesting that fallout also records input of near field anthropogenic materials. Our observations suggest that major chemical features can be related to processing in the fireball and used to inform the thermal-chemical evolution of the system. Ultimately, these data are consistent with a fallout formation mechanism that involves rapid melting of surface materials to form carrier material melts with minor incorporation of bomb vapor and a degree of volumetric volatile loss due to heating.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Rare earth element extraction from pretreated bastnäsite in supercritical carbon dioxide

Rare earth elements are a critical component in many clean energy technologies. Extraction of individual rare earth elements from natural ores or recycled material is challenging due to the very similar chemical properties across the lanthanide series. Supercritical carbon dioxide has emerged in recent years as a possible extraction medium for rare earth elements, due to its tunability and selectivity as a solvent. In this study, rare earth elements were recovered from bastnäsite concentrate using supercritical carbon dioxide extraction with nitric acid/tributyl phosphate adducts. Two bastnäsite pretreatment methods were used to render the rare earth elements amenable to recovery: 1) dry roasting of the source material at 730 °C for 3 hours, and 2) decomposition with 50% sodium hydroxide solution at 150 °C for 4 hours. These pretreated powder samples were extracted in supercritical carbon dioxide at 34 MPa and 65 °C, with kinetic samples obtained at 15-30 minute intervals. A range of tributyl phosphate/nitric acid adduct compositions (from 2 mol/L H + to 6 mol/L H + ) were used in order to determine the effect of adduct composition on recovery rate. The results showed the fastest extraction with an adduct containing approximately 4 M HNO 3 . Adducts with higher acidity showed reduced extraction of cerium, praseodymium, and neodymium. This could be due to the formation of aqueous droplets which dissolve rare earth elements and create an equilibrium limitation, or due to competition between the rare earth nitrates and nitric acid for coordination with tributyl phosphate. Extraction with various adduct concentrations in supercritical CO 2 showed the expected increase in reaction rate with increased adduct concentration. For the 4 mol/L H + adduct at 5.0 mol% adduct concentration, roasted bastnäsite recoveries were 72% for La, 96% for Ce, 88% for Pr, and 90% for Nd after 120 minutes. For 4 mol/L H + adduct at 5.1 mol% adduct concentration, NaOH digested bastnäsite recoveries were 93% for La, 100% for Ce, 99% for Pr, and 101% for Nd after 90 minutes. In conclusion, though further research is needed, these results are a key step in demonstrating applicability of supercritical extraction to rare earth element ores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Non destructive multi elemental analysis using prompt gamma neutron activation analysis techniques: Preliminary results for concrete sample

In this study, principle of prompt gamma neutron activation analysis has been used as a technique to determine the elements in the sample. The system consists of collimated isotopic neutron source, Cf-252 with HPGe detector and Multichannel Analysis (MCA). Concrete with size of 10×10×10 cm{sup 3} and 15×15×15 cm{sup 3} were analysed as sample. When neutrons enter and interact with elements in the concrete, the neutron capture reaction will occur and produce characteristic prompt gamma ray of the elements. The preliminary result of this study demonstrate the major element in the concrete was determined such as Si, Mg, Ca, Al, Fe and H as well as others element, such as Cl by analysis the gamma ray lines respectively. The results obtained were compared with NAA and XRF techniques as a part of reference and validation. The potential and the capability of neutron induced prompt gamma as tool for multi elemental analysis qualitatively to identify the elements present in the concrete sample discussed.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

A static analysis of three-dimensional functionally graded beams through hierarchical one-dimensional finite elements

In this paper, the static response of three-dimensional beams made of functionally graded materials is investigated through a family of hierarchical one-dimensional finite elements. A wide variety of elements is proposed differing by the kinematic formulation and the number of nodes per elements along the beam axis. Elements’ stiffness matrix and load vector are derived in a unified nuclear form that does not depend upon the a priori expansion order over the cross-section nor the finite element approximation along the beam axis. Results are validated towards three-dimensional finite element models as well as equivalent Navier-type analytical solutions. The numerical investigations show that accurate and efficient solutions (when compared with full three-dimensional FEM solutions) can be obtained by the proposed family of hierarchical one-dimensional elements’ family.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Trace element analysis of soil type collected from the Manjung and central Perak

Trace elements in soils primarily originated from their parent materials. Parents’ material is the underlying geological material that has been undergone different types of chemical weathering and leaching processes. Soil trace elements concentrations may be increases as a result of continuous input from various human activities, including power generation, agriculture, mining and manufacturing. This paper describes the Neutron Activation Analysis (NAA) method used for the determination of trace elements concentrations in part per million (ppm) present in the terrestrial environment soil in Perak. The data may indicate any contamination of trace elements contributed from human activities in the area. The enrichment factors were used to check if there any contamination due to the human activities (power plants, agricultural, mining, etc.) otherwise the values would serve as a baseline data for future study. The samples were collected from 27 locations of different soil series in the area at two different depths: the top soil (0-15cm) and the sub soil (15-30cm). The collected soil samples were air dried at 60°C and passed through 2 µm sieve. Instrumental Neutron Activation Analysis (NAA) has been used for the determination of trace elements. Samples were activated in the Nuclear Malaysia TRIGA Mark II reactor followed by gamma spectrometric analysis. By activating the stable elements in the samples, the elements can be determined from the intensities of gamma energies emitted by the respected radionuclides.

54 ENVIRONMENTAL SCIENCES↗