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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Probing for exoplanets hiding in dusty debris disks: Disk imaging, characterization, and exploration with HST/STIS multi-roll coronagraphy

Spatially resolved scattered-light images of circumstellar debris in exoplanetary systems constrain the physical properties and orbits of the dust particles in these systems. They also inform on co-orbiting (but unseen) planets, the systemic architectures, and forces perturbing the starlight-scattering circumstellar material. Using Hubble Space Telescope (HST)/Space Telescope Imaging Spectrograph (STIS) broadband optical coronagraphy, we have completed the observational phase of a program to study the spatial distribution of dust in a sample of 10 circumstellar debris systems and 1 'mature' protoplanetrary disk, all with HST pedigree, using point-spread-function-subtracted multi-roll coronagraphy. These observations probe stellocentric distances ≥5 AU for the nearest systems, and simultaneously resolve disk substructures well beyond corresponding to the giant planet and Kuiper Belt regions within our own solar system. They also disclose diffuse very low-surface-brightness dust at larger stellocentric distances. Herein we present new results inclusive of fainter disks such as HD 92945 (F {sub disk}/F {sub star} = 5 × 10{sup –5}), confirming, and better revealing, the existence of a narrow inner debris ring within a larger diffuse dust disk. Other disks with ring-like substructures and significant asymmetries and complex morphologies include HD 181327, for which we posit a spray of ejecta from a recent massive collision in an exo-Kuiper Belt; HD 61005, suggested to be interacting with the local interstellar medium; and HD 15115 and HD 32297, also discussed in the context of putative environmental interactions. These disks and HD 15745 suggest that debris system evolution cannot be treated in isolation. For AU Mic's edge-on disk, we find out-of-plane surface brightness asymmetries at ≥5 AU that may implicate the existence of one or more planetary perturbers. Time-resolved images of the MP Mus protoplanetary disk provide spatially resolved temporal variability in the disk illumination. These and other new images from our HST/STIS GO/12228 program enable direct inter-comparison of the architectures of these exoplanetary debris systems in the context of our own solar system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Infrared reflectance spectra: Effects of particle size, provenance and preparation

We have recently developed methods for making more accurate infrared total and diffuse directional - hemispherical reflectance measurements using an integrating sphere. We have found that reflectance spectra of solids, especially powders, are influenced by a number of factors including the sample preparation method, the particle size and morphology, as well as the sample origin. On a quantitative basis we have investigated some of these parameters and the effects they have on reflectance spectra, particularly in the longwave infrared. In the IR the spectral features may be observed as either maxima or minima: In general, upward-going peaks in the reflectance spectrum result from strong surface scattering, i.e. rays that are reflected from the surface without bulk penetration, whereas downward-going peaks are due to either absorption or volume scattering, i.e. rays that have penetrated or refracted into the sample interior and are not reflected. The light signals reflected from solids usually encompass all such effects, but with strong dependencies on particle size and preparation. This paper measures the reflectance spectra in the 1.3 – 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to observe the effects on the spectral features: Bulk materials were ground with a mortar and pestle and sieved to separate the samples into various size fractions between 5 and 500 microns. The median particle size is demonstrated to have large effects on the reflectance spectra. For certain minerals we also observe significant spectral change depending on the geologic origin of the sample. All three such effects (particle size, preparation and provenance) result in substantial change in the reflectance spectra for solid materials; successful identification algorithms will require sufficient flexibility to account for these parameters.

Reflectance, Hemispherical reflectance, integratin↗
DOE OSTI2024

Cosmic-ray confinement in radio bubbles by micromirrors

Radio bubbles, ubiquitous features of the intracluster medium around active galactic nuclei, are known to rise buoyantly for multiple scale heights through the intracluster medium (ICM). It is an open question how the bubbles can retain their high-energy cosmic-ray content over such distances. We propose that the enhanced scattering of cosmic rays due to micromirrors generated in the ICM is a viable mechanism for confining the cosmic rays within bubbles and can qualitatively reproduce their morphology. We discuss the observational implications of such a model of cosmic-ray confinement.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Dynamic heterogeneity and nanophase separation in rubber-toughened amine-cured highly cross-linked polymer networks

Solid state nuclear magnetic resonance (NMR) spectroscopy and small-to wide-angle X-ray scattering (SWAXS) methods were used to characterize the heterogeneous dynamics and polymer domain structure in rubber modified thermoset materials containing the diglycidyl ether of bisphenol A (DGEBA) epoxy resin and a mixture of Jeffamine reactive rubber and 4,4-diaminodicyclohexylmethane (PACM) amine curing agent. The polymer chain dynamics and morphologies as a function of the PACM/Jeffamine ratio were determined. Using dipolar-filtered NMR experiments, the resulting networks are shown to be composed of mobile and rigid regions that are separated on nanometer length scales, along with a dynamically immobilized interface region. Proton NMR spin diffusion experiments measured the dimensions of the mobile phase to range between 9 and 66 nm and varied with the relative PACM concentration. Solid state 13 C magic angle spinning NMR experiments show that the highly mobile phase is composed entirely of the dynamically flexible polyether chains of the Jeffamine rubber, the immobilized interface region is a mixture of DGEBA, PACM, and the Jeffamine rubber, with the PACM cross-linked to DGEBA predominantly residing in the rigid phase. The SWAXS results showed compositional nanophase separation spanning the 11–77 nm range. These measurements of the nanoscale compositional and dynamic heterogeneity provide molecular level insight into the very broad and controllable glass transition temperature distributions observed for these highly cross-linked polymer networks.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Fundamental Surface Science of PFCs for Improved Plasma Performance in NSTX-U

This research applies to improving the plasma performance in the National Spherical Torus Experiment-Upgrade (NSTX-U). NSTX-U will extend the high performance plasmas produced and controlled in NSTX by doubling the heating power and extending the pulse duration by a factor of five. Both of these will substantially raise the thermal stress on plasma facing components (PFCs). Liquid metal-based PFCs, in particular lithium, have been used to improve the plasma performance of many tokamaks, but the predictive understanding needed for confident application of liquid metals and coatings in NSTX-U and future machines is in its infancy. Our work is aimed at applying surface analysis techniques to relevant materials and coatings in a controlled laboratory environment to understand the fundamental surface science and measure key properties that will guide the operations and optimize plasma facing materials at the higher temperatures expected in NSTX-U. Current plans for NSTX-U are to begin operations with carbon PFCs and gradually transition to refractory metal PFCs and liquid metal PFCs toward the end of the first 5 years. Accordingly, our research emphasizes the surface science of lithium on PFC substrates comprised of carbon, molybdenum, and stainless steel. Conditioning of these substrates with boron and the influence of impurities, such as water vapor, present in the tokamak environment will be investigated. These studies make quantitative measurements with low energy ion scattering (LEIS) and high-resolution X-ray photoelectron spectroscopy (HR-XPS) to characterize lithium and complex mixed-material deposits on metal single crystals, e.g. molybdenum, and practical alloys. We utilize ultrathin films of these deposits to be able to follow the surface chemistry and determine stoichiometry. The temperature dependence of surface properties and reactivity is a key parameter. Temperature programmed desorption (TPD) mass spectrometry is utilized to measure deuterium uptake and retention by these materials, and vibrational spectroscopy provides crucial information needed on surface species and chemical compounds. Additional measurements probe diffusion of oxygen into bulk lithium and explore lithium diffusion and wetting on molybdenum and stainless steel. The outcomes of these studies contributes to an improved understanding of plasma surface interactions and specific information needed for NSTX-U operations and the future development of lithium-conditioned plasma-facing components in high-heat flux long-pulse scenarios.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Dynamical Signatures of Thermotoga maritima Maltose-Binding Proteins Affected by Ligand Binding

Functional segregation among protein isoforms depends on the interplay of their overall structures and the molecular dynamics of these structures. Thermotoga maritima maltose-binding protein (tmMBP) isoforms show size-dependent differential binding of maltose and malto-oligomers while maintaining remarkable fold conservation. This differential behavior needs detailed characterization in native-like aqueous conditions to understand the effects of protein dynamics on ligand binding and recognition. Small-angle neutron scattering (SANS), neutron spin echo (NSE) spectroscopy, and dynamic light scattering (DLS) were used in conjunction with previously published computational molecular dynamics (MD) simulations to understand the dynamic behavior of tmMBPs experimentally. SANS provided information on the overall structure of the molecules, while NSE was used to determine the dynamics in the nanosecond time scale. Both tmMBP2 and tmMBP3 have a bidomain architecture linked with a flexible hinge, with the binding pocket sitting in the cleft between the two domains. tmMBP2 and tmMBP3 showed different solution dynamics, with the translational and rotational components dominating the dynamics of both systems, resulting in a clear differentiation of their diffusion pattern. A faster dynamics component was also observed and was attributed to segmental dynamics. Differences observed between the ligand-free (apo) and ligand-bound (holo) states of the two proteins are attributed to conformational entropy. Our results highlight the intricacies of how structure and dynamics can together shape binding to a repertoire of substrates in structurally similar proteins.

Diffusion↗
DOE OSTI2012

A RADIATION TRANSFER SOLVER FOR ATHENA USING SHORT CHARACTERISTICS

We describe the implementation of a module for the Athena magnetohydrodynamics (MHD) code that solves the time-independent, multi-frequency radiative transfer (RT) equation on multidimensional Cartesian simulation domains, including scattering and non-local thermodynamic equilibrium (LTE) effects. The module is based on well known and well tested algorithms developed for modeling stellar atmospheres, including the method of short characteristics to solve the RT equation, accelerated Lambda iteration to handle scattering and non-LTE effects, and parallelization via domain decomposition. The module serves several purposes: it can be used to generate spectra and images, to compute a variable Eddington tensor (VET) for full radiation MHD simulations, and to calculate the heating and cooling source terms in the MHD equations in flows where radiation pressure is small compared with gas pressure. For the latter case, the module is combined with the standard MHD integrators using operator splitting: we describe this approach in detail, including a new constraint on the time step for stability due to radiation diffusion modes. Implementation of the VET method for radiation pressure dominated flows is described in a companion paper. We present results from a suite of test problems for both the RT solver itself and for dynamical problems that include radiative heating and cooling. These tests demonstrate that the radiative transfer solution is accurate and confirm that the operator split method is stable, convergent, and efficient for problems of interest. We demonstrate there is no need to adopt ad hoc assumptions of questionable accuracy to solve RT problems in concert with MHD: the computational cost for our general-purpose module for simple (e.g., LTE gray) problems can be comparable to or less than a single time step of Athena's MHD integrators, and only few times more expensive than that for more general (non-LTE) problems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

The Interplay of Magnetically Dominated Turbulence and Magnetic Reconnection in Producing Nonthermal Particles

Magnetized turbulence and magnetic reconnection are often invoked to explain the nonthermal emission observed from a wide variety of astrophysical sources. By means of fully kinetic 2D and 3D particle-in-cell simulations, we investigate the interplay between turbulence and reconnection in generating nonthermal particles in magnetically dominated (or, equivalently, “relativistic”) pair plasmas. A generic by-product of the turbulence evolution is the generation of a nonthermal particle spectrum with a power-law energy range. The power-law slope p is harder for larger magnetizations and stronger turbulence fluctuations, and it can be as hard as p ≲ 2. The Larmor radius of particles at the high-energy cutoff is comparable to the size l of the largest turbulent eddies. Plasmoid-mediated reconnection, which self-consistently occurs in the turbulent plasma, controls the physics of particle injection. Then, particles are further accelerated by stochastic scattering off turbulent fluctuations. The work done by parallel electric fields—naturally expected in reconnection layers—is responsible for most of the initial energy increase and is proportional to the magnetization σ of the system, while the subsequent energy gain, which dominates the overall energization of high-energy particles, is powered by the perpendicular electric fields of turbulent fluctuations. The two-stage acceleration process leaves an imprint in the particle pitch-angle distribution: lowenergy particles are aligned with the field, while the highest-energy particles move preferentially orthogonal to it. The energy diffusion coefficient of stochastic acceleration scales as Dγ ~ 0.1σ( c/l ) γ 2 , where γ is the particle Lorentz factor. This results in fast cceleration timescales t acc ~ (3 /σ)l/c . Our findings have important implications for understanding the generation of nonthermal particles in high-energy astrophysical sources.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Spin Orbit Coupling Controlled Spin Pumping and Spin Hall Magnetoresistance Effects

Effective spin mixing conductance (ESMC) across the nonmagnetic metal (NM)/ferromagnet interface, spin Hall conductivity (SHC), and spin diffusion length (SDL) in the NM layer govern the functionality and performance of pure spin current devices. It is shown that all three parameters can be tuned significantly via the spin orbit coupling (SOC) strength of the NM layer by virtue of the unique Pd 1-x Pt x /Y 3 Fe 5 O 12 system. Surprisingly, the ESMC is observed to increase significantly with x changing from 0 to 1.0, due to the enhanced local density of states for Pt-rich alloys. The SHC in PdPt alloys turns out to be dominated by the skew scattering term. In particular, the skew scattering parameter has for the first time been rigorously demonstrated to increase with increasing SOC strength. Meanwhile, the SDL is found to decrease when Pd atoms are replaced by heavier Pt atoms, validating the SOC induced spin flip scattering model in polyvalent PdPt alloys. Furthermore, a thorough grasp of the dependence of these parameters on the SOC strength in the present work can help to develop a better theoretical graph on the physics of SOC and spin orbit torque switching, relevant to next generation spintronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Engineered selective biotoxin‐binding hydrogels for toxin sequestration

The development of synthetic selective membranes that separate materials of similar sizes, charges, and/or polarities remains a difficult challenge, and looking towards biology provides inspiration for new designs. In this work, a series of cholera toxin binding peptides (CTBPs) are identified, spanning a range of binding inhibitions, and integrated into chemically cross-linked cholera toxin binding gels (CTBGs) via thiol-Michael polycondensation reactions. All gels demonstrate rheological profiles consistent with elastic solids. The CTBGs are probed via small-angle neutron scattering and exhibit a correlation length, ξ, smaller than most proteins (1.3–2.5 nm). Thus, an effective entropic mesh is formed to block non-targeted proteins. However, the CTBGs have a dynamic mesh size, Ξ, that is larger than cholera toxin (CT) to allow the transport of target proteins. The CTBGs with the highest binding inhibitions both show high selectivity and permeation of CT, rejecting all other tested proteins. In total, two new highly selective CTBGs are synthesized and validated for use in cholera toxin remediation. Together, this platform demonstrates the wide applicability of selectively-diffusive materials for difficult separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Dual-pump Coherent anti-Stokes Raman scattering measurements in H 2 /CH 4 Counterflow Flames

Temperature and major species concentration measurements are reported in a Williams Seshadri counterflow burner using dual-pump coherent anti-Stokes Raman scattering (DPCARS). Hencken burner H2/Air flames with equivalence ratio of 0.8-1.4 were used to characterize the accuracy of the system. The mean errors for temperature, XH2/XN2 mole fraction ratio, and XO2/XN2 mole fraction ratio are 1.0%, 14.7%, and 5.5%, respectively. The counterflow burner uses a CH4, H2, and N2 mixture as fuel and synthetic air as oxidizer. Measurements were performed along the counterflow burner central axis for two different fuel compositions: 4% H2/86% CH4/10% N2 and 87%H2/3% CH4/10% N2. The measured temperature and species mole fractions agree well with the 1-D opposed-flow diffusion flame simulation. One observation is that the fuel inlet temperature is higher than 300 K, which suggests the possibility of the stagnation plane residing closer to the fuel side. Lastly, these measurements provide valuable data for testing and validation of advanced 2-D flame models.

Murdock, Benjamin K.↗
DOE OSTI2017

Exploring the Use of Muon Momentum for Detection of Nuclear Material Within Shielded Spent Nuclear Fuel Dry Casks

The inspection of the storage containers that house used nuclear fuel is an important issue facing the nuclear industry; currently, there are limited options available to provide for even minimal inspections. During the long storage life of the fuel, intermediate handling and transportation activities may take place that can create concerns regarding fuel integrity (safety) and continuity of knowledge (safeguards and security). Accidents and natural disasters also contribute to this concern. The reliable and safe management of used nuclear fuel is among the critical tasks to be addressed for the advancement of fission-based nuclear energy in the United States and elsewhere. Since the early 1950's, when the first nuclear power plant began to produce electricity, approximately 65,000 metric tons of used nuclear fuel have been generated in the United States. The postponement of the opening of a permanent repository until 2048 will lead to increased used fuel accumulation at reactor sites. A rapid increase in storage installations with more than 9,000 casks storing {approx}420,000 assemblies is anticipated by 2050 even if no new nuclear power plants are built. After used nuclear fuel has been placed inside a cask, the cask is sealed, not allowing for visual inspection. Conventional methods, e.g., x-rays, are limited in that they cannot penetrate dense, well-shielded objects. More sophisticated techniques, such as penetrating neutrons or proton radiography, require the use of an expensive accelerator. Efforts by Ziock et al. using neutron and gamma-ray imagers concluded that '...the signatures are deemed insufficient to uniquely identify individual casks of the same type...'. It was found that the gamma-ray and neutron images were dominated by diffusion and thermalization effects resulting from the large amount of shielding. One promising mode of inspection would use cosmic-ray muons. These muons are naturally generated, are able to penetrate dense materials, and are incident from all directions above the horizon. Tomography performed using these muons could potentially provide efficient, inexpensive, remote assessment of used nuclear fuel. However, current muon applications are limited in that they have not included momentum measurement. If momentum measurement could be incorporated, that would represent a big step forward because it would allow more accurate estimation of the muon observables, e.g., scattering variance. This approach has the potential to reconstruct the contents of a cask with improved resolution and identify partial defects, fuel assemblies, and individual fuel rods.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Controlled release of ibuprofen by meso–macroporous silica

Structured meso–macroporous silica was successfully synthesized from an O/W emulsion using decane as a dispersed phase. Sodium silicate solution, which acts as a silica source and a poly(ethylene oxide)–poly(propylene oxide)–poly(ethylene oxide) (EO{sub 19}PO{sub 39}EO{sub 19}) denoted as P84 was used in order to stabilize the emulsion and as a mesopore template. The materials obtained were characterized through transmission electron microscopy (TEM), scanning electron microscopy (SEM), small-angle X-ray diffraction scattering (SAXS) and nitrogen adsorption–desorption isotherms. Ibuprofen (IBU) was selected as the model drug and loaded into ordered meso–macroporous materials. The effect of the materials’ properties on IBU drug loading and release was studied. The results showed that the loading of IBU increases as the macropore presence in the material is increased. The IBU adsorption process followed the Langmuir adsorption isotherm. A two-step release process, consisting of an initial fast release and then a slower release was observed. Macropores enhanced the adsorption capacity of the material; this was probably due to the fact that they allowed the drug to access internal pores. When only mesopores were present, ibuprofen was probably adsorbed on the mesopores close to the surface. Moreover, the more macropore present in the material, the slower the release behaviour observed, as the ibuprofen adsorbed in the internal pores had to diffuse along the macropore channels up to the surface of the material. The material obtained from a highly concentrated emulsion was functionalized with amino groups using two methods, the post-grafting mechanism and the co-condensation mechanism. Both routes improve IBU adsorption in the material and show good behaviour as a controlled drug delivery system. - Graphical abstract: Ibuprofen release profiles for the materials obtained from samples P84{sub m}eso (black diamonds), P84{sub 2}0% (white squares), P84{sub 5}0% (black triangles), P84{sub 7}5% (white diamonds), P84{sub 7}5% functionalized by grafting (black squares) and P84{sub 7}5% functionalized by co-condensation method (white triangles). Display Omitted - Highlights: • Ordered meso–macroporous material is used as a controlled delivery system for ibuprofen. • Incorporation of macropores in mesoporous silica improves ibuprofen adsorption. • Meso–macroporous structures provide a lower delivery than mesoporous silica. • APTES functionalization in meso–macroporous materials improves ibuprofen adsorption and delivery behaviour.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Photoluminescence and compositional-structural properties of ion-beam sputter deposited Er-doped TiO{sub 2−x}N{sub x} films: Their potential as a temperature sensor

Er-doped TiO{sub 2−x}N{sub x} films were grown by Ar{sup +} ion-beam sputtering a Ti + Er target under different N{sub 2} + O{sub 2} high-purity atmospheres. The compositional-structural properties of the samples were investigated after thermal annealing the films up to 1000 °C under a flow of oxygen. Sample characterization included x-ray photoelectron spectroscopy, grazing incidence x-ray diffraction, Raman scattering, and photoluminescence experiments. According to the experimental data, both composition and atomic structure of the samples were very sensitive to the growth conditions and annealing temperature. In the as-deposited form, the N-rich TiO{sub 2−x}N{sub x} films presented TiN crystallites and no photoluminescence. As the thermal treatments proceed, the films were transformed into TiO{sub 2} and Er{sup 3+}-related light emission were observed in the visible and near-infrared ranges at room-temperature. Whereas the development of TiO{sub 2} occurred due to the insertion-diffusion of oxygen in the films, light emission originated because of optical bandgap widening and/or structural-chemical variations in the vicinity of the Er{sup 3+} ions. Finally, the photoluminescence results in the visible range suggested the potential of the present samples in producing an optically based temperature sensor in the ∼150–500 K range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

The influence of molecular design on structure–property relationships of a supramolecular polymer prodrug

Supramolecular self-assemblies of hydrophilic macromolecules functionalized with hydrophobic, structure-directing components have long been used for drug delivery. In these systems, loading of poorly soluble compounds is typically achieved through physical encapsulation during or after formation of the supramolecular assembly, resulting in low encapsulation efficiencies and limited control over release kinetics, which are predominately governed by diffusion and carrier degradation. To overcome these limitations, amphiphilic prodrugs that leverage a hydrophobic drug as both the therapeutic and structure-directing component can be used to create supramolecular materials with higher loading and controlled-release kinetics using biodegradable or enzymatically cleavable linkers. Here, we report the design, synthesis, and characterization of a library of supramolecular polymer prodrugs based on poly(ethylene glycol) (PEG) and the proregenerative drug 1,4-dihydrophenonthrolin-4-one-3-carboxylic acid (DPCA). Structure–property relationships were elucidated through experimental characterization of prodrug behavior in both the wet and dry states using scattering techniques and electron microscopy and corroborated by coarse-grained modeling. Molecular architecture and the hydrophobic-to-hydrophilic ratio of PEG–DPCA conjugates strongly influenced their physical state in water, ranging from fully soluble to supramolecular spherical assemblies and nanofibers. Molecular design and supramolecular structure, in turn, were shown to dramatically alter hydrolytic and enzymatic release and cellular transport of DPCA. In addition to potentially expanding therapeutic options for DPCA through control of supramolecular assemblies, the design principles elaborated here may inform the development of other supramolecular prodrugs based on hydrophobic small-molecule compounds.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Interactive automated Bragg peak identification with 3D neutron scattering data

Neutron scattering experiments have undergone significant technological development through large area detectors with concurrent enhancements in neutron transport and electronic functionality. Data collected for neutron events include detector pixel location in 3D, time and associated metadata, such as, sample orientation, neutron wavelength, and environmental conditions. RadiaSoft and Oak Ridge National Laboratory personnel are considering single-crystal diffraction data from the TOPAZ instrument. We are leveraging a new method for rapid, interactive analysis of neutron data using NVIDIA’s IndeX 3D volumetric visualization framework. We have implemented machine learning techniques to automatically identify Bragg peaks and separate them from diffuse backgrounds and analyze the crystalline lattice parameters for further analysis. The implementation of automatic peak identification into IndeX allows scientists to visualize and analyze data in real-time. Our methods include a robust comparison with current analysis techniques which show improvement in a variety of aspects. These improvements will be incorporated into IndeX for visualization to allow scientists an interactive tool for crystal analysis.

Kilpatrick, Matthew↗
DOE OSTI2019

A multi-dimensional, moment-accelerated deterministic particle method for time-dependent, multi-frequency thermal radiative transfer problems

Thermal Radiative Transfer (TRT) is the dominant energy transfer mechanism in high-energy density physics with applications in inertial confinement fusion and astrophysics. The stiff interactions between the material and radiation fields make TRT problems challenging to model. In this study, we propose a multi-dimensional extension of the deterministic particle (DP) method. The DP method combines aspects from both particle and deterministic methods. If the emission source is known a priori, and no physical scattering is present, the intensity of a particle can be integrated analytically. This introduces no statistical noise compared to Monte-Carlo methods, while maintaining the flexibility of particle methods. The method is closely related to the popular method of long characteristics. The combination of the DP-method with a discretely-consistent, nonlinear, gray low-order system enables an efficient solution algorithm for multi-frequency TRT problems. Here, we demonstrate with numerical examples that the use of a linear-source approximation based on spatial moments improves the behavior of our method in the thick diffusion limit significantly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Oxide structure of air-passivated U-6Nb alloy thin films

U-6Nb is a uranium alloy containing 6 wt% niobium that possesses high corrosion resistance. The structure and composition of the passivating oxide layer formed on air-aged U-6Nb, which gives the material its corrosion resistant properties, was characterized using surface scattering techniques. Stable oxide layers formed on the surface of a set of U-6Nb alloy thin films under ambient conditions were investigated using neutron reflectometry (NR), x-ray reflectometry (XRR) and grazing incidence x-ray diffraction (GIXD). The passivating oxide was composed of approximately 27% U, 5% Nb, and 68% O, primarily consisting of a thin niobium oxide layer (5.5 ± 0.4 nm) separating a thicker UO2 layer (27.1 ± 2.3 nm) from the underlying U-6Nb alloy. A critical density of enriched niobium oxide at the metal-oxide interface is hypothesized to limit oxygen diffusion and confer high corrosion resistance to the alloy.

36 MATERIALS SCIENCE↗