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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Integrated Experimental and Computational Approach to Understand the Effects of Heavy Ion Radiation on Skin Homeostasis.

The effects of low dose high linear energy transfer (LET) radiation on human health are of concern for both space and clinical exposures. As epidemiological data for such radiation exposures are scarce for making relevant predictions, we need to understand the mechanism of response especially in normal tissues. Our objective here is to understand the effects of heavy ion radiation on tissue homeostasis in a realistic model system. Towards this end, we exposed an in vitro three dimensional skin equivalent to low fluences of Neon (Ne) ions (300 MeV/u), and determined the differentiation profile as a function of time following exposure using immunohistochemistry. We found that Ne ion exposures resulted in transient increases in the tissue regions expressing the differentiation markers keratin 10, and filaggrin, and more subtle time-dependent effects on the number of basal cells in the epidermis. We analyzed the data using a mathematical model of the skin equivalent, to quantify the effect of radiation on cell proliferation and differentiation. The agent-based mathematical model for the epidermal layer treats the epidermis as a collection of heterogeneous cell types with different proliferation/differentiation properties. We obtained model parameters from the literature where available, and calibrated the unknown parameters to match the observed properties in unirradiated skin. We then used the model to rigorously examine alternate hypotheses regarding the effects of high LET radiation on the tissue. Our analysis indicates that Ne ion exposures induce rapid, but transient, changes in cell division, differentiation and proliferation. We have validated the modeling results by histology and quantitative reverse transcription polymerase chain reaction (qRT-PCR). The integrated approach presented here can be used as a general framework to understand the responses of multicellular systems, and can be adapted to other epithelial tissues.

von Neubeck, Claere↗
DOE OSTI2013

On optimizing Jacobi–Davidson method for calculating eigenvalues in low dimensional structures using eight band k · p model

The paper presents two ways of improving the Jacobi–Davidson method for calculating the eigenvalues and eigenvectors described by eight-band k · p model for quantum dots and other low dimensional structures. First, the method is extended by the application of time reversal symmetry operator. This extension allows efficient calculations of the twofold degeneracy present in the multiband k · p model and other interior eigenvalues. Second, the preconditioner for the indefinite matrix which comes from the discretization of the eight band k · p Hamiltonian is presented. The construction of this preconditioner is based on physical considerations about energy band structure in the k · p model. On the basis of two real examples, it is shown that the preconditioner can significantly shorten the time needed to calculate the interior eigenvalues, despite the fact that the memory usage of the preconditioner and Hamiltionian is comparable. Finally, some technical details for implementing the eight band k · p Hamiltonian and the eigensolver are provided.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Risks and Benefits of Pressurized Water Reactor Coupling to Energy Storage and Water Desalination

This research explored potential options to improve nuclear pressurized water reactors’ (PWRs) operational flexibility through integration with thermal energy storage (TES) and water desalination technologies. Benefits and challenges of TES technologies were reviewed, which includes sensible heat storage systems, latent heat storage systems, and thermochemical storage systems. Water desalination technologies were reviewed and compared, which includes multi-stage flash, reverse osmosis, and multi-effect distillation. The multi-effect distillation technology was selected to be coupled with a generic PWR. Risk of this cogeneration was quantified using the probabilistic risk assessment (PRA) methodology. Results suggest that nuclear-desalination cogeneration can be done safely because the additional risk to the PWR is trivial, and even in certain cases the PWR risk is decreased. This cogeneration operation is expected to improve efficiency of thermal utilization and the nuclear plant’s revenues. In summary, this study supports the potential of nuclear-desalination cogeneration systems to address water scarcity while optimizing nuclear energy use and managing safety.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Unitary Quantization and Para-Fermi Statistics of Order 2

We consider the relationship between the unitary quantization scheme and the para-Fermi statistics of order 2. We propose an appropriate generalization of Green’s ansatz, which has made it possible to transform bilinear and trilinear commutation relations for the creation and annihilation operators for two different para-Fermi fields φ{sub a} and φ{sub b} into identities. We also propose a method for incorporating para-Grassmann numbers ξ{sub k} into the general unitary quantization scheme. For the parastatistics of order 2, a new fact has been revealed: the trilinear relations containing both para-Grassmann variables ξ{sub k} and field operators ak and bm are transformed under a certain reversible mapping into unitary equivalent relations in which commutators are replaced by anticommutators, and vice versa. It is shown that this leads to the existence of two alternative definitions of the coherent state for para-Fermi oscillators. The Klein transformation for Green’s components of operators a{sub k} and b{sub m} is constructed in explicit form, which enabled us to reduce the initial commutation rules for the components to the normal commutation relations for ordinary Fermi fields. We have analyzed a nontrivial relationship between the trilinear commutation relations of the unitary quantization scheme and the so-called Lie supertriple system. The possibility of incorporating the Duffin–Kemmer–Petiau theory into the unitary quantization scheme is discussed briefly.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The formation of IRIS diagnostics. V. A quintessential model atom of C ii and general formation properties of the C ii lines at 133.5 nm

The C ii 133.5 nm lines are important observables for the NASA/SMEX mission Interface Region Imaging Spectrograph. To make three-dimensional (3D) non-LTE radiative transfer computationally feasible, it is crucial to have a model atom with as few levels as possible while retaining the main physical processes. We here develop such a model atom and we study the general formation properties of the C ii lines. We find that a nine-level model atom of C i–C iii with the transitions treated assuming complete frequency redistribution (CRD) suffices to describe the C ii 133.5 nm lines. 3D scattering effects are important for the intensity in the core of the line. The lines are formed in the optically thick regime. The core intensity is formed in layers where the temperature is about 10 kK at the base of the transition region. The lines are 1.2–4 times wider than the atomic absorption profile due to the formation in the optically thick regime. The smaller opacity broadening happens for single peak intensity profiles where the chromospheric temperature is low with a steep source function increase into the transition region, the larger broadening happens when there is a temperature increase from the photosphere to the low chromosphere leading to a local source function maximum and a double peak intensity profile with a central reversal. Assuming optically thin formation with the standard coronal approximation leads to several errors: neglecting photoionization severly underestimates the amount of C ii at temperatures below 16 kK, erroneously shifts the formation from 10 kK to 25 kK, and leads to too low intensities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Modification and analysis of context-specific genome-scale metabolic models: methane-utilizing microbial chassis as a case study

ABSTRACT Context-specific genome-scale model (CS-GSM) reconstruction is becoming an efficient strategy for integrating and cross-comparing experimental multi-scale data to explore the relationship between cellular genotypes, facilitating fundamental or applied research discoveries. However, the application of CS modeling for non-conventional microbes is still challenging. Here, we present a graphical user interface that integrates COBRApy, EscherPy, and RIPTiDe, Python-based tools within the BioUML platform, and streamlines the reconstruction and interrogation of the CS genome-scale metabolic frameworks via Jupyter Notebook. The approach was tested using -omics data collected for Methylotuvimicrobium alcaliphilum 20Z R , a prominent microbial chassis for methane capturing and valorization. We optimized the previously reconstructed whole genome-scale metabolic network by adjusting the flux distribution using gene expression data. The outputs of the automatically reconstructed CS metabolic network were comparable to manually optimized i IA409 models for Ca-growth conditions. However, the CS model questions the reversibility of the phosphoketolase pathway and suggests higher flux via primary oxidation pathways. The model also highlighted unresolved carbon partitioning between assimilatory and catabolic pathways at the formaldehyde-formate node. Only a very few genes and only one enzyme with a predicted function in C1 metabolism, a homolog of the formaldehyde oxidation enzyme ( fae1-2 ), showed a significant change in expression in La-growth conditions. The CS-GSM predictions agreed with the experimental measurements under the assumption that the Fae1-2 is a part of the tetrahydrofolate-linked pathway. The cellular roles of the tungsten (W)-dependent formate dehydrogenase ( fdhAB ) and fae homologs ( fae1-2 and fae3 ) were investigated via mutagenesis. The phenotype of the f dhAB mutant followed the model prediction. Furthermore, a more significant reduction of the biomass yield was observed during growth in La-supplemented media, confirming a higher flux through formate. M. alcaliphilum 20Z R mutants lacking fae1-2 did not display any significant defects in methane or methanol-dependent growth. However, contrary to fae1, the fae1-2 homolog failed to restore the formaldehyde-activating enzyme function in complementation tests. Overall, the presented data suggest that the developed computational workflow supports the reconstruction and validation of CS-GSM networks of non-model microbes. IMPORTANCE The interrogation of various types of data is a routine strategy to explore the relationship between genotype and phenotype. An efficient approach for integrating and cross-comparing experimental multi-scale data in the context of whole-genome-based metabolic network reconstruction becomes a powerful tool that facilitates fundamental and applied research discoveries. The present study describes the reconstruction of a context-specific (CS) model for the methane-utilizing bacterium, Methylotuvimicrobium alcaliphilum 20Z R . M. alcaliphilum 20Z R is becoming an attractive microbial platform for the production of biofuels, chemicals, pharmaceuticals, and bio-sorbents for capturing atmospheric methane. We demonstrate that this pipeline can help reconstruct metabolic models that are similar to manually curated networks. Furthermore, the model is able to highlight previously overlooked pathways, thus advancing fundamental knowledge of non-model microbial systems or promoting their development toward biotechnological or environmental implementations.

Kulyashov, M. A.↗
DOE OSTI2017

APT malware static trace analysis through bigrams and graph edit distance

Research and business organizations are vulnerable to attack by malware, particularly advanced persistent threat malware tailored for a specific target. Malware identification is made more difficult because samples can be subtly altered to avoid detection by methods that check for an identical match to known code. Different versions of an original piece of malware form a malware family. And when new malicious software is identified, reverse engineers seek to identify its origin and purpose. Knowing whether new malware is from a known family or a previously unobserved family aids the efficiency of reverse engineers. Furthermore, this article presents a three-stage method to classify new malware into a family by comparing its similarity to existing static traces, and assigning it to the most similar family. First, a fast filtering method creates a shortlist of samples with some similarity to the new malware, using a simple bigram comparison of the instructions. The second stage takes the call graph view of the shortlisted static traces and uses simulated annealing to estimate the graph edit distance, a measure of dissimilarity between graphs. Finally, a random forest classifier combines the previous two results to predict the family to which a new sample belongs. Our paper also considers how to detect when malware is from a new family.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Octahedral to tetrahedral bonding transitions in the local structure of phase change optical media Ge 2 Sb 2 Se 5 x Te 5-5 x with Se doping

Random access memories utilize fast, reversible switching between ordered and disordered states of matter in phase change materials (PCMs) such as Ge2Sb2Te5-5x. The short-range structure in the disordered phase has been described either as (i) a network of Ge tetrahedra or (ii) Peierls distorted Ge/Sb octahedra. The PCM transition was investigated in bulk Ge2Sb2Se5xTe5-5x (GSST), in which amorphization sets in with Se doping (x ≈ 0.85) upon quenching. GSST has a hexagonal crystalline ground state with Ge/Sb octahedral coordination, but the phase change transition to the amorphous state that is only observed when the system is quenched brings a short-range structure with sharp, tetrahedrally coordinated Ge/Sb correlations and shortened bonds that are distinctly different from the expected octahedral pairing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

RAMSeS: Rapid Analysis of Mission Software Systems

Over the past few decades, software has become ubiquitous as it has been integrated into nearly every aspect of society, including household appliances, consumer electronics, industrial control systems, public utilities, government operations, and military systems. Consequently, many critical national security questions can no longer be answered convincingly without understanding software, including its purpose, its capabilities, its flaws, its communication, or how it processes and stores data. As software continues to become larger, more complex, and more widespread, our ability to answer important mission questions and reason about software in a timely way is falling behind. Today, to achieve such understanding of third-party software, we rely predominantly on the ability of reverse engineering experts to manually answer each particular mission question for every software system of interest. This approach often requires heroic human effort that nevertheless fails to meet current mission needs and will never scale to meet future needs. The result is an emerging crisis: a massive and expanding gap between the national security need to answer mission questions about software and our ability to do so. Sandia National Laboratories has established the Rapid Analysis of Mission Software Systems (RAMSeS) effort, a collaborative long-term effort aimed at dramatically improving our nation’s ability to answer mission questions about third-party software by growing an ecosystem of tools that augment the human reverse engineer through automation, interoperability, and reuse. Focusing on static analysis of binary programs, we are attempting to identify reusable software analysis components that advance our ability to reason about software, to automate useful aspects of the software analysis process, and to integrate new methodologies and capabilities into a working ecosystem of tools and experts. We aim to integrate existing tools where possible, adapt tools when modest modifications will enable them to interoperate, and implement missing capability when necessary. Although we do hope to automate a growing set of analysis tasks, we will approach this goal incrementally by assisting the human in an ever-widening range of tasks.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2025

Emergence of Moiré Dirac Fermions at the Interface of Topological and 2D Magnetic Insulators

Dirac Fermions on the surface of the topological insulator are spin-momentum locked and topologically protected, making them interesting for spintronics and quantum computing applications. When in proximity to magnetism and superconductivity, these electronic states could result in quantum anomalous Hall effect and Majorana Fermions, respectively. An even more dramatic enrichment of the topological insulators’ physics is expected for moiré superlattices, where, analogously to the twisted graphene layers, electronic correlations could be strongly enhanced, a task previously notoriously difficult to achieve in topological matter. Until now, the experimental confirmation of such moiré properties has remained elusive. Here, we grow the two-dimensional van der Waals magnetic insulators FeX 2 (where X = Cl or Br) on top of the topological insulator Bi 2 Se 3 and establish a moiré superlattice formation at the interface. By means of scanning tunneling microscopy and angle-resolved photoemission spectroscopy, we investigate the electronic properties of the formed moiré superlattice and demonstrate its tunability via the film choice. We reveal replicated Dirac cones and focus on their intersections, which, in the case of FeBr 2 /Bi 2 Se 3 , occur below the Fermi level. We identify the signatures of small gaps at the intersections around the M̅ i points that we attribute to the moiré interaction. These findings point to the specific type of magnetic moiré potential that breaks the time-reversal symmetry at these points but not at the $\barΓ$ point. Our observations provide an intriguing scenario of correlated topological phases induced by moiré superlattice that may result in topological superconductivity, high Chern number phases, and exotic noncollinear magnetic textures.

2D magnets↗
DOE OSTI2017

Direct Observation of Halide Migration and its Effect on the Photoluminescence of Methylammonium Lead Bromide Perovskite Single Crystals

Optoelectronic devices based on hybrid perovskites have demonstrated outstanding performance within a few years of intense study. However, commercialization of these devices requires barriers to their development to be overcome, such as their chemical instability under operating conditions. In order to investigate this instability and its consequences, the electric field applied to single crystals of methylammonium lead bromide (CH 3 NH 3 PbBr 3 ) is varied, and changes are mapped in both their elemental composition and photo-luminescence. Synchrotron-based nanoprobe X-ray fluorescence (nano-XRF) with 250 nm resolution reveals quasi-reversible field-assisted halide migration, with corresponding changes in photoluminescence. It is observed that higher local bromide concentration is correlated to superior optoelectronic performance in CH 3 NH 3 PbBr 3 . A lower limit on the electromigration rate is calculated from these experiments and the motion is interpreted as vacancy-mediated migration based on nudged elastic band density functional theory (DFT) simulations. The XRF mapping data provide direct evidence of field-assisted ionic migration in a model hybrid-perovskite thin single crystal, while the link with photoluminescence proves that the halide stoichiometry plays a key role in the optoelectronic properties of the perovskite.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Spatially Distributed Ramp Reversal Memory in VO 2

Ramp‐reversal memory has recently been discovered in several insulator‐to‐metal transition materials where a non‐volatile resistance change can be set by repeatedly driving the material partway through the transition. This study uses optical microscopy to track the location and internal structure of accumulated memory as a thin film of VO 2 is temperature cycled through multiple training subloops. These measurements reveal that the gain of insulator phase fraction between consecutive subloops occurs primarily through front propagation at the insulator‐metal boundaries. By analyzing transition temperature maps, it is found, surprisingly, that the memory is also stored deep inside both insulating and metallic clusters throughout the entire sample, making the metal‐insulator coexistence landscape more rugged. This non‐volatile memory is reset after heating the sample to higher temperatures, as expected. Diffusion of point defects is proposed to account for the observed memory writing and subsequent erasing over the entire sample surface. By spatially mapping the location and character of non‐volatile memory encoding in VO 2 , this study results enable the targeting of specific local regions in the film where the full insulator‐to‐metal resistivity change can be harnessed in order to maximize the working range of memory elements for conventional and neuromorphic computing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Bead–Spring Simulation of Ionomer Melts—Studying the Effects of Chain-Length and Associating Group Fraction on Equilibrium Structure and Extensional Flow Behavior

Ionomers are associative polymers with diverse applications ranging from selective membranes and high-performance adhesives to abrasion- and chemical-resistant coatings, insulation layers, vacuum packaging, and foamed sheets. Within equilibrium melt, the ionic or associating groups are known to form thermally reversible, associative clusters whose presence can significantly affect the system’s mechanical, viscoelastic, and transport properties. It is, thus, of great interest to understand how to control such clusters’ size distribution, shape, and stability through the designed choice of polymer architecture and the ionic groups’ fraction, arrangement, and interaction strength. In this work, we represent linear associating polymers using a Kremer–Grest type bead–spring model and perform large-scale MD simulations to explore the effect of polymer chain-length (l) and fraction (f s ) of randomly placed associating groups on the size distribution and stability of formed clusters. We consider different chain-lengths (below and above entanglement), varying fractions of associating groups (represented by ‘sticky’ beads) between 5 and 20%, and a fixed sticky–sticky nonbond interaction strength of four times that between regular non-associating beads. For all melts containing associating groups the equilibrium structure factor S(q) displays a signature ionomer peak at low wave vector q whose intensity increases with increasing f s and l. The average cluster size Nc increases with f s . However, the effect of chain-length on Nc appears to be pronounced only at higher values of f s . Under extensional flows, the computed stress (and viscosity) is higher at higher f s and l regardless of strain rate. Beyond a critical strain rate, we observe fragmentation of the associative clusters, which has interesting effects on the stress/viscous response.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Redox Poise during Rhodospirillum rubrum Phototrophic Growth Drives Large-scale Changes in Macromolecular Synthesis Pathways

During photoheterotrophic growth on organic substrates, purple nonsulfur photosynthetic bacteria like Rhodospirillum rubrum can acquire electrons by multiple means, including oxidation of organic substrates, oxidation of inorganic electron donors (e.g., H2), and by reverse electron flow from the photosynthetic electron transport chain. These electrons are stored as reduced electron-carrying cofactors (e.g., NAD(P)H and ferredoxin). The overall ratio of oxidized to reduced cofactors (e.g., NAD(P)+:NAD(P)H), or ’redox poise’, is difficult to understand or predict, as are the cellular processes for dissipating these reducing equivalents. Using physics-based models that capture mass action kinetics consistent with the thermodynamics of reactions and pathways, a range of redox conditions for heterophototrophic growth are evaluated, from conditions in which the NADP+/NADPH levels approach thermodynamic equilibrium to conditions in which the NADP+/NADPH ratio is far above the typical physiological values. Modeling predictions together with experimental measurements indicate that the redox poise of the cell results in large-scale changes in the activity of biosynthetic pathways and, thus, changes in cell macromolecule levels (DNA, RNA, proteins, and fatty acids). Furthermore, modeling predictions indicate that during phototrophic growth, reverse electron flow from the quinone pool is a minor contributor to the production of reduced cofactors (e.g., NAD(P)H) compared to other oxidative processes (H2 and carbon substrate oxidation). Instead, the quinone pool primarily operates to aid ATP production. The high level of ATP, in turn, drives reduction processes even when NADPH levels are relatively low compared to NADP+ by coupling ATP hydrolysis to the reductive processes. The model, in agreement with experimental measurements of macromolecule ratios of cells growing on different carbon substrates, indicates that the dynamics of nucleotide versus lipid and protein production is likely a significant mechanism of balancing oxidation and reduction in the cell.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Isochronal annealing effects on local structure, crystalline fraction, and undamaged region size of radiation damage in Ga-stabilized δ-Pu

The effects on the local structure due to self-irradiation damage of Ga stabilized δ-Pu stored at cryogenic temperatures have been examined using extended x-ray absorption fine structure (EXAFS) experiments. Extensive damage, seen as a loss of local order, was evident after 72 days of storage below 15 K. The effect was observed from both the Pu and the Ga sites, although less pronounced around Ga. Isochronal annealing was performed on this sample to study the annealing processes that occur between cryogenic and room temperature storage conditions, where damage is mostly reversed. Damage fractions at various points along the annealing curve have been determined using an amplitude-ratio method, a standard EXAFS fitting, and a spherical crystallite model, and provide information complementary to the previous electrical resistivity- and susceptibility-based isochronal annealing studies. The use of a spherical crystallite model accounts for the changes in EXAFS spectra using just two parameters, namely, the crystalline fraction and the particle radius. Together, these results are discussed in terms of changes to the local structure around Ga and Pu throughout the annealing process and highlight the unusual role of Ga in the behavior of the lowest temperature anneals.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Experimental and Computational Studies of the Control of Convection of Non-Conducting Liquids During solidification by Means of a Magnetic Field Gradient

The elimination of convection is essential in experimental investigations of diffusive transport (of heat and matter) during solidification. One classical approach to damping convection in a conducting liquid is the application of a magnetic field. The damping phenomenon is the induction, by the motion of a conductor in a magnetic field, of currents which interact with the field to produce Lorentz forces that oppose the flow. However, there are many liquids which are not sufficiently conducting to exploit this phenomenon; examples include the transparent liquids (such as succinonitrile-acetone) that are used as "model alloys" in fundamental solidification studies. There have been several investigations of the solidification of these liquids that have been carried out in orbiting laboratories to eliminate natural convection. The paper describes an investigation of an alternative approach whereby a magnetic field gradient is applied to the liquid. A magnetic body force then arises which is dependent on the susceptibility of the liquid and thereby on the temperature and or concentration. With the field gradient aligned vertically and of correct magnitude, the variation of gravitational body force due to temperature/concentration dependent density can be counterbalanced by a variation in magnetic body force. Experiments have been carried out in a super-conducting magnet at Marshall Space Flight Center to measure velocities in an aqueous manganese chloride solution. The solution was contained in a chamber with temperature controlled end walls and glass side walls. Velocities were measured by particle image velocimetry. Starting from zero current in the magnet (zero field gradient) flow driven by the temperature difference between the end walls was measured. At a critical current the flow was halted. At higher currents the normal convection was reversed. The experiments included ones where the solution was solidified and were accompanied by solution of the flow/transport equations using the software package FLUENT.

Seybert, C. D.↗