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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 217 records · Page 12

GSAS-II (GENERAL STRUCTURE AND ALAYSIS SYSTEM-II)

GSAS-II is a comprehensive data analysis and simulation software package for determining atomistic structures from single-crystal and powder diffraction data. X-ray, neutron and electron data may be used. Constant-wavelength, time-of-flight and pink-beam sources may be employed and analyses may combine different types of data. The package is oriented towards materials characterization problems, but protein crystallography, pair-distribution function analysis, small-angle scattering and reflectometry analysis are all included. GSAS-II provides tools for indexing and solving structures from powder diffraction data, in addition to structure, data and results visualization tools

TOBY, BRIANH↗

Atmospheric Multiple Scattering Effects on GLAS Altimetry: Analysis of Expected Errors in Antarctic Altitude Measurements - Part 2

The altimetry bias in GLAS (Geoscience Laser Altimeter System) or other laser altimeters resulting from atmospheric multiple scattering is studied in relationship to current knowledge of cloud properties over the Antarctic Plateau. Estimates of seasonal and interannual changes in the bias are presented. Results show the bias in altitude from multiple scattering in clouds would be a significant error source without correction. The selective use of low optical depth clouds or cloudfree observations, as well as improved analysis of the return pulse such as by the Gaussian method used here, are necessary to minimize the surface altitude errors. The magnitude of the bias is affected by variations in cloud height, cloud effective particle size and optical depth. Interannual variations in these properties as well as in cloud cover fraction could lead to significant year-to-year variations in the altitude bias. Although cloud-free observations reduce biases in surface elevation measurements from space, over Antarctica these may often include near-surface blowing snow, also a source of scattering-induced delay. With careful selection and analysis of data, laser altimetry specifications can be met.

Mahesh, Ashwin↗

Near-Nadir Radar Scattering from Venus

Analysis of Magellan altimeter data using a fractal-surface scattering model. Additional information is contained in the original extended abstract.

Campbell, Bruce A.↗

Saturn's 3 nu 3 methane band - An analysis in terms of a scattering atmosphere

Using parameters recently measured in the laboratory, the shapes of manifolds belonging to the R-branch of Saturn's 3 nu 3 CH4 band were analyzed in terms of a homogeneous scattering model of Saturn's atmosphere, and the results were compared with those of an earlier analysis in terms of a reflecting-layer model. The resulting effective pressure is an order of magnitude smaller than for the reflecting-layer analysis, and the C/H ratio is an order of magnitude higher than the solar value. The overall fit of the theoretical profiles to the observed manifold shapes is distinctly worse, especially for R(7). Scattering evidently plays only a minor role in the formation of this band along Saturn's south-central meridian.

Trafton, L.↗

An Assessment of Global Positioning System Velocity Uncertainty in California

We analyze data from 580 continuous global positioning system (GPS) stations in California to quantify differences in published velocity estimates from five analysis centers. Horizontal and vertical rates for individual stations can differ up to 5 mm/yr, with systematic differences in some areas comparable to deformation rates. Published velocity uncertainties vary between analysis centers and are systematically underreported in the horizontal relative to empirical uncertainties calculated from the scatter of analysis center velocities. In the vertical, published velocity uncertainties are both over and underreported and vary more widely between centers. An interpolated ensemble vertical velocity field shows high-subsidence regions in the Central Valley and Salton Trough have the largest empirical uncertainties, while station density has a modest impact on uncertainties. Applications that rely on subcentimeter GPS accuracy should consider the possibility that formal errors published with velocity rate estimates understate true velocity uncertainties in both the horizontal and vertical.

54 ENVIRONMENTAL SCIENCES↗

Design of fiber optic probes for laser light scattering

A quantitative analysis is presented of the role of optical fibers in laser light scattering. Design of a general fiber optic/microlens probe by means of ray tracing is described. Several different geometries employing an optical fiber of the type used in lightwave communications and a graded index microlens are considered. Experimental results using a nonimaging fiber optic detector probe show that due to geometrical limitations of single mode fibers, a probe using a multimode optical fiber has better performance, for both static and dynamic measurements of the scattered light intensity, compared with a probe using a single mode fiber. Fiber optic detector probes are shown to be more efficient at data collection when compared with conventional approaches to measurements of the scattered laser light. Integration of fiber optic detector probes into a fiber optic spectrometer offers considerable miniaturization of conventional light scattering spectrometers, which can be made arbitrarily small. In addition static and dynamic measurements of scattered light can be made within the scattering cell and consequently very close to the scattering center.

Dhadwal, Harbans S.↗

Local atomic and magnetic structure of multiferroic (Sr,Ba)⁢(Mn,Ti)⁢O 3

Here, we present a detailed study of the local atomic and magnetic structure of the type-I multiferroic perovskite system (Sr,Ba)(Mn,Ti)O 3 using x-ray and neutron pair distribution function (PDF) analysis, polarized neutron scattering, and muon spin relaxation (μSR) techniques. The atomic PDF analysis reveals widespread nanoscale tetragonal distortions of the crystal structure even in the paraelectric phase with average cubic symmetry, corresponding to incipient ferroelectricity in the local structure. Magnetic PDF analysis, polarized neutron scattering, and μSR likewise confirm the presence of short-range antiferromagnetic correlations in the paramagnetic state, which grow in magnitude as the temperature approaches the magnetic transition. We show that these short-range magnetic correlations coincide with a reduction of the tetragonal (i.e., ferroelectric) distortion in the average structure, suggesting that short-range magnetism can play an important role in magnetoelectric and/or magnetostructural phenomena even without genuine long-range magnetic order. The reduction of the tetragonal distortion scales linearly with the local magnetic order parameter, pointing to spontaneous linear magnetoelectric coupling in this system. These findings provide greater insight into the multiferroic properties of (Sr,Ba)(Mn,Ti)O 3 and demonstrate the importance of investigating the local atomic and magnetic structure to gain a deeper understanding of the intertwined degrees of freedom in multiferroics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effective field theory analysis of 3 He–α scattering data

We treat low-energy 3 He–α elastic scattering in an effective field theory (EFT) that exploits the separation of scales in this reaction. We compute the amplitude up to next-to-next-to-leading order, developing a hierarchy of the effective-range parameters (ERPs) that contribute at various orders. We use the resulting formalism to analyse data for recent measurements at center-of-mass energies of 0.38–3.12 MeV using the scattering of nuclei in inverse kinematics (SONIK) gas target at TRIUMF as well as older data in this energy regime. We employ a likelihood function that incorporates the theoretical uncertainty due to truncation of the EFT and use Markov chain Monte Carlo sampling to obtain the resulting posterior probability distribution. We find that the inclusion of a small amount of data on the analysing power A y is crucial to determine the sign of the p-wave splitting in such an analysis. Here, the combination of A y and SONIK data constrains all ERPs up to O(p 4 ) in both s- and p-waves quite well. The asymptotic normalisation coefficients and s-wave scattering length are consistent with a recent EFT analysis of the capture reaction 3 He(α, γ) 7 Be.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Light scattering instrumentation for micro gravity research

The analysis of light scattered from an ensemble of particles has long been a preferred method for characterizing their physical properties. Instrumentation to perform the measurements which forms the basis for such analysis is available in many forms based upon a variety of different experimental techniques. A system is presented which is singularly applicable for making many types of measurements in a microgravity environment. The commercial version of this device, the DAWN-F, has been used in many labs throughout the world to perform analyses of particular importance for both research and production. Light scattering theory is reviewed and the structure and function of the system is described.

Wyatt, Philip J.↗

Propagation and scattering of elastic waves in fiber-reinforced plates

The objectives of this program are as follows: modelling of guided waves in fiber-reinforced plates in terms of different modes; and analysis of scattering by transverse cracks using modal representation. A hybrid numerical method combining the finite element representation of a region around the crack with the modal representation in the exterior region will be used in this program. Modes will be obtained using the through-the-thickness discretization of the displacement field.

Bratton, Robert L.↗

Event Selection in the MicroBooNE Deep Learning Based Low Energy Excess Analysis Using Two-Body Scattering Criteria

The uniquely detailed neutrino event information from liquid argon time projection chambers allows reconstruction of a set of kinematic quantities that over-constrain the expectations for charged current quasielastic scattering (CCQE). MicroBooNE makes use of the CCQE consistency requirements in a deep-learning-based search for the MiniBooNE low energy excess analysis. This requirement rejects backgrounds as well as events with poorly reconstructed neutrino energy due to final state interactions of the outgoing proton. The results presented here demonstrate the quality of the selection of $\nu_e$ and $\nu_µ$ events. We show excellent agreement between the data and the simulation across many data sets. This positions us to be ready to unblind the MicroBooNE low energy excess analysis in the very near future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Butterfly-Accelerated Volume Integral Equation Solver for Broad Permittivity and Large-Scale Electromagnetic Analysis

In this work, a butterfly-accelerated volume integral equation (VIE) solver is proposed for fast and accurate electromagnetic (EM) analysis of scattering from heterogeneous objects. The proposed solver leverages the hierarchical off-diagonal butterfly (HOD-BF) scheme to construct the system matrix and obtain its approximate inverse, used as a preconditioner. Complexity analysis and numerical experiments validate the O(N log 2 N) construction cost of the HOD-BF-compressed system matrix and O(N log 1.5 N) inversion cost for the preconditioner, where N is the number of unknowns in the high-frequency EM scattering problem. For many practical scenarios, the proposed VIE solver requires less memory and computational time to construct the system matrix and obtain its approximate inverse compared to a H matrix-accelerated VIE solver. The accuracy and efficiency of the proposed solver have been demonstrated via its application to the EM analysis of large-scale canonical and real-world structures comprising of broad permittivity values and involving millions of unknowns.

42 ENGINEERING↗

Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers

In this study, we present a complete set of electron scattering cross-sections from 1-Methyl-5-Nitroimidazole (1M5NI) molecules for impact energies ranging from 0.1 to 1000 eV. This information is relevant to evaluate the potential role of 1M5NI as a molecular radiosensitizers. The total electron scattering cross-sections (TCS) that we previously measured with a magnetically confined electron transmission apparatus were considered as the reference values for the present analysis. Elastic scattering cross-sections were calculated by means of two different schemes: The Schwinger multichannel (SMC) method for the lower energies (below 15 eV) and the independent atom model-based screening-corrected additivity rule with interferences (IAM-SCARI) for higher energies (above 15 eV). The latter was also applied to calculate the total ionization cross-sections, which were complemented with experimental values of the induced cationic fragmentation by electron impact. Double differential ionization cross-sections were measured with a reaction microscope multi-particle coincidence spectrometer. Using a momentum imaging spectrometer, direct measurements of the anion fragment yields and kinetic energies by the dissociative electron attachment are also presented. Cross-sections for the other inelastic channels were derived with a self-consistent procedure by sampling their values at a given energy to ensure that the sum of the cross-sections of all the scattering processes available at that energy coincides with the corresponding TCS. This cross-section data set is ready to be used for modelling electron-induced radiation damage at the molecular level to biologically relevant media containing 1M5NI as a potential radiosensitizer. Nonetheless, a proper evaluation of its radiosensitizing effects would require further radiobiological experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Making sense of vacancy correlations with single-crystal diffuse scattering data

Local ordering of atoms within a crystalline structure is increasingly recognized as essential to understanding the properties of a variety of interesting materials. This is shown by the success of pair distribution function (PDF) analysis of scattering data from powder samples to investigate departures from perfectly crystalline order (Billinge & Kanatzidis, 2004; Egami & Billinge, 2012). Diffuse scattering from single crystals can also be a powerful probe of local order, potentially providing key information that would be difficult to obtain from PDF methods; however, difficulties in both measurement and interpretation of data have too often restricted their use by a larger community. In this issue of IUCrJ, Rothet al.(2020) demonstrate how simple concepts can be applied to better understand single-crystal diffuse scattering from half-Heusler systems.

36 MATERIALS SCIENCE↗

Microstructurally informed synchrotron x-ray analysis revealing helium defect transitions in ultrafine grained tungsten

The formation of insoluble gaseous defects in materials due to nuclear transmutation or ion implantation involves the diffusion of impurity atoms to form atomic defect clusters that coalesce into bubbles or cavities and ultimately degrade the material properties. Transmission electron microscopy (TEM) is limited in its ability to resolve sub-nanometer gas clusters whereas X-ray diffraction (XRD) provides information pertaining to local atomic changes. Here, in this study, helium (He) implanted ultrafine grained tungsten is explored through a multimodal defect characterization campaign combining TEM-informed Small Angle X-ray Scattering (SAXS) analysis, XRD lattice parameter measurements, and nanoscale He cluster quantification from a region of reciprocal space accessible via Wide Angle X-ray Scattering (WAXS). Moderate elevated temperature implantations are shown to produce high concentrations of sub-nanoscale He clusters and small, homogeneously distributed cavities, which collectively are linked to lattice expansion and further substantiated through complementary atomistic simulations. Increased implantation temperatures encourage the diffusion of these defects to the grain boundaries (GBs), leading to lattice relaxation and the growth of large GB cavities manifesting as bimodal size distributions in the SAXS analysis. Overall, our results demonstrate the utility of multimodal synchrotron X-ray analysis in bridging the gap between microscale He cavity quantification and atomic-scale defect analysis.

36 MATERIALS SCIENCE↗

Giant resonances in topological spin Hall effect due to electron-skyrmion scattering in two-dimensional Rashba spin-orbit ferromagnets

Here we study a topological spin Hall effect where conduction electrons are scattered by Néel-type skyrmions in two-dimensional Rashba spin-orbit ferromagnets. We find the resonance structures in direct and Hall electric conductivities. The resonances strongly depend on the skyrmion size, the Rashba spin-orbit coupling vector value, and the relative direction between magnetization and Rashba vectors. The antiparallel arrangement of the Rashba spin-orbit coupling vector with respect to the magnetization determines the resonance structure and increases the direct conductivity by about two orders of magnitude. For the parallel arrangement the electric conductivities decrease by one to three orders of magnitude and the Hall conductivity changes the sign. The Rashba spin-orbit coupling also modifies electron bands depending on the ratio ε R /J, where ε R is Rashba energy and J is an exchange integral between conduction and localized electrons. If ε R /J ≤ 1, each energy band has the single minimum while for ε R /J > 1 the lower band has the “Mexican-hat” shape with the maximum at k = 0. We focus on the dependencies of direct and Hall electric conductivities on Fermi energy, ε F , skyrmion sizes, and Rashba spin-orbit coupling constant values and its relative direction with the magnetization. Analyzing both types of the energy bands, in general, we find two types of resonances: at the minimum of the upper band and behaviors, we employ the scattering pattern analysis. The resonance dependencies on skyrmion sizes and Rashba, a spin-orbit coupling contestant, can be qualitatively explained in terms of the Ramsauer-Townsend scattering of the upper band electrons by the skyrmion quantum well. The resonance properties can be used in spin transistors. To discover the resonances it is necessary to know the specific range of the parameters. At some values of the parameters the electric conductivity changes by about two orders of magnitude in the narrow range of ε F (< 0.01 eV). To detect the resonances it is also important to identify the relative direction of the Rashba spin-orbit coupling vector with respect to the magnetization.

36 MATERIALS SCIENCE↗