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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Thermal Neutron Scattering Law Evaluation for Zirconium Carbide and Critical Mass Calculations

Zirconium carbide (ZrC) is a candidate material for use in advanced high temperature reactors, including space nuclear thermal propulsion applications. Thermal neutron scattering laws (TSLs) are generated for carbon bound in ZrC, C(ZrC), and zirconium bound in ZrC, Zr(ZrC), using ab initio lattice dynamics methods. These evaluations are to be submitted for inclusion in ENDF/B-VIII.1 and use the incoherent approximation for inelastic scattering as well as the new mixed elastic scattering treatment. The application of disordered alloy theory is introduced to appropriately capture the isotopic composition of Zr and C in the elastic scattering cross section. Localized higher energy vibrations in the C(ZrC) phonon density of states that are separated from lower energy modes result in quantized oscillations in the inelastic contributions to the TSL with a significant likelihood of large energy down-scattering and up-scattering interactions, where the latter increases in probability with temperature. The quanta of energy transfer during neutron thermalization is substantially greater than classically expected within the thermal neutron energy range. MC21 critical mass calculations of ZrC mixtures with high-enriched uranium demonstrate an impact of the TSLs when compared to free-gas treatment for 235 U concentrations less than 0.2 g/cm 3 . Additional MC21 critical mass calculations with homogenous mixtures of ZrC and reactor-grade graphite also demonstrate sensitivity to the ZrC TSL for thermal spectrum driven fission systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Re-evaluation of the TSL for Yttrium Hydride

Yttrium hydride (YH x ) is of interest as a high-temperature moderator material in advanced nuclear reactor systems because of its superior ability to retain hydrogen at elevated temperatures. Thermal neutron scattering laws (TSL) for hydrogen bound in yttrium hydride (H-YH 2 ) and yttrium bound in yttrium hydride (Y-YH 2 ) were previously evaluated by Naval Nuclear Laboratory using the ab initio approach and released in ENDF/B-VIII.0. In that work, density functional theory, incorporating the generalized gradient approximation (GGA) for the exchange-correlation energy, was used to simulate the face-centered cubic structure of YH 2 and calculate the interatomic Hellmann-Feynman forces for a 2×2×2 supercell containing 96 atoms. Lattice dynamics calculations using PHONON were used to determine the phonon density of states. The calculated phonon density of states for H and Y in YH 2 were then used to prepare H-YH 2 and Y-YH 2 TSL evaluations, in the incoherent approximation, using the LEAPR module of NJOY. In addition, elastic scattering was assumed to be incoherent for both H and Y. While the incoherent elastic scattering approximation is appropriate for H-YH 2 , it introduces an undesirable approximation for Y-YH 2 . In this work, we re-evaluate the TSL for Y-YH 2 using FLASSH (Full Law Analysis Scattering System Hub). Y-YH 2 is evaluated using the FLASSH generalized coherent elastic scattering capability in order to capture the Bragg peaks associated with the YH 2 crystal structure which were neglected in the prior NJOY-based evaluation due to limitations in LEAPR. An experimental approach to validate the Y-YH 2 TSL using neutron transmission measurements is discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Many-Body Collective Neutrino Oscillations: Recent Developments

Neutrino flavor transformations in core-collapse supernovae and binary neutron star mergers represent a complex and unsolved problem that is integral to our understanding of the dynamics and nucleosynthesis in these environments. The high number densities of neutrinos present in these environments can engender various collective effects in neutrino flavor transformations, driven either by neutrino-neutrino coherent scattering, or in some cases, through collisional (incoherent) interactions. An ensemble of neutrinos undergoing coherent scattering among themselves is an interacting quantum many-body system -- as such, there is a tantalising prospect of quantum entanglement developing between the neutrinos, which can leave imprints on their flavor evolution histories. Here, in this study, we seek to summarize recent progress that has been made towards understanding this phenomenon.

Hypernuclei↗
DOE OSTI2025

Spin-dependent scattering of sub-GeV dark matter: Models and constraints

We calculate the scattering rate of sub-GeV dark matter in solid-state targets for spin-dependent dark matter–nucleon interactions. For dark matter particles with mass below 100 MeV, the scattering occurs predominantly through incoherent phonon production. For dark matter heavier than 100 MeV, we match onto the nuclear recoil calculation. To compare the sensitivity of future direct detection experiments with existing constraints, we consider three models with interactions that are mediated by spin-0 or spin-1 particles. This allows us to derive bounds on the cross section from searches for the mediating particle, including bounds from stellar cooling, beam dump experiments, meson factories, and dark matter self-interactions. The existing bounds are very stringent, though for 𝑚 𝜒 ≳100 MeV there is parameter space, which may be accessible with direct detection, depending on the exposure and background rates.

Gori, Stefania [University of California, Santa Cr↗
NASA NTRS1988

Ultraviolet Lidar Would Measure Wind Velocity

Incoherent Doppler-shifted scattering from aerosols reveals important weather data. Remote-sensing system in early stage of development makes global measurements of wind velocities along probing beam of ultraviolet light. In aviation system promotes safety through detection of wind shears and clear-air turbulence. System includes range-gated ultraviolet-excimer laser operating at 308 or 353 nm.

Mcdermid, Iain Stuart↗
DOE OSTI2022

Thermal Neutron Scattering Improvements and Fixes for MCNP6.3 [Slides]

Major error (10,000+ pcm) discovered when using uranium-dioxide or uranium-nitride included in ENDF80SaB2 release. Improvements are being made towards preparing the code for ENDF/B-VIII.1 (ACE) format updates. A minor error (0-10’s pcm) was discovered while working on new capability development for Lab Directed Research & Development (LDRD) project. Previously, only a single coherent or incoherent elastic channel (along with an inelastic channel) was allowed in a thermal neutron scattering evaluation and subsequent processed ACE file. Based on what is planned in ENDF/B-VIII.1 release, there will be (a) new thermal scattering evaluation(s) which uses this mixed-mode coherent and incoherent elastic scattering blocks. MCNP6.3 has been modified to be able to handle such data in the future. Some reorganization has been made in the cross section calculation (acetot, sabcol, colidn) in the presence of TSL data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1979

Two-potential approach for electron-molecular collisions at intermediate and high energies - Application to e-N2 scatterings

A general theoretical approach is proposed for the calculation of elastic, vibrational, and rotational transitions for electron-molecule scattering at intermediate and high-electron-impact energies. In this formulation, contributions to the scattering process come from the incoherent sum of two dominant potentials: a short-range shielded nuclear Coulomb potential from individual atomic centers, and a permanent/induced long-range potential. Application to e-N2 scattering from 50-500 eV incident electron energies has yielded good agreement with absolutely calibrated experiments. Comparisons with other theoretical approaches are made. The physical picture as well as the general features of electron-molecule scattering process are discussed within the framework of the two-potential approach.

Choi, B. H.↗
DOE OSTI2024

Hydrogen motion in near stoichiometric yttrium dihydride at elevated temperatures

The high-temperature motion of hydrogen in near stoichiometric yttrium dihydride (YH x , x = 1.62 and 1.87 at.%) was investigated using incoherent quasi-elastic neutron scattering and Density Functional Theory (DFT) calculations as a function of hydrogen stoichiometry. Translational motion (diffusivity) of hydrogen in yttrium dihydride was only observed in a temperature range of 1073–1173 K under vacuum environment. Here, the hydrogen motion was found to be limited to the tetrahedral sublattice, and diffusivity of hydrogen was observed to increase with decreasing hydrogen stoichiometry. The same behavior was also supported with DFT calculations. The DFT results also indicated that certain migration paths with smaller energy barriers favored H jump resulting in higher diffusivities.

08 HYDROGEN↗
NASA NTRSDate not supplied

Geometric Acoustics for Aircraft Noise Scattering

This paper discusses aircraft noise scattering by geometric acoustics, which consists of the basic features of sound propagation and reflection in rays or ray tubes, diffraction by smooth geometry in terms of surface creeping waves, and diffraction by abrupt geometry features such as the wing trailing edges. Based on the classic theories of these features, prediction methodologies can be constructed for aircraft noise scattering. The methodologies, however, require important modifications and extensions to account for unique features in aircraft noise applications, for both current conventional aircraft and future unconventional designs. These modifications and extensions include the derivation of a general reflection coefficient that contains the effects of surface geometry curvature, surface impedance, and mean flow. Corrections to the basic formulation of diffraction, both smooth geometry and sharp edges, are formulated to account for the finite dimensions of practical applications. For smooth geometry diffraction, a second order correction is used to continuously transition from insolified to shadow zones and an approach is presented to compute the properties of the geodesic path of surface wave propagation. A model is developed to make use of the ray propagation formulation for incoherent and partially coherent propagation and scattering, which is an important phenomenon in aircraft noise. Mean flow effect is also included in the methodology for low Mach number flows. Examples of calculations based on these theoretical developments are presented to illustrate the unique features in aircraft noise applications.

Yueping Guo↗
NASA NTRS2000

Modeling of Optoelectronic Devices

Ultrafast modulation of semiconductor quantum well (QW) laser is of technological importance for information technology. Improvement by order(s) of magnitude in data transfer rate is possible as terahertz (THz) radiation is available for heating the laser at picosecond time scale. Optical gain modulation in the QW is achieved via temperature modulation of electron-hole plasma (EHP). Applications include free-space THz communication, optical switching, and pulse generation. The EHP in the semiconductor QW is described with a two-band model. Semiconductor Bloch equations with many-body effects are used to derive a hydrodynamical model for the active QW region. Because of ultrafast carrier-carrier scatterings in the order of 50 fs, EHP follows quasiequilibrium Fermi-Dirac distributions and THz field interacts incoherently with it. Carrier-longitudinal optical (LO) phonon scatterings and coherent laser-EHP interaction are treated microscopically in our physical model. A set of hydrodynamical equations for plasma density, temperature, and laser envelop amplitude are derived and Runge-Kutta method is adopted for numerical simulation. A typical 8 nm GaAs/Al(0.3)Ga(0.7) As single QW at 300 K is used. Additional information is contained in the original extended abstract.

Li, Jian-Zhong↗
DOE OSTI2022

Exploring the Limits of Biological Complexity Amenable to Studies by Incoherent Neutron Spectroscopy

The wavelengths of neutrons available at neutron scattering facilities are comparable with intra- and inter-molecular distances, while their energies are comparable with molecular vibrational energies, making such neutrons highly suitable for studies of molecular-level dynamics. The unmistakable trend in neutron spectroscopy has been towards measurements of systems of greater complexity. Several decades of studies of dynamics using neutron scattering have witnessed a progression from measurements of solids to liquids to protein complexes and biomembranes, which may exhibit properties characteristic of both solids and liquids. Over the last two decades, the frontier of complexity amenable to neutron spectroscopy studies has reached the level of cells. Considering this a baseline for neutron spectroscopy of systems of the utmost biological complexity, we briefly review what has been learned to date from neutron scattering studies at the cellular level and then discuss in more detail the recent strides into neutron spectroscopy of tissues and whole multicellular organisms.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1993

Second order distorted born approximation for backscattering from a layer of discrete random medium

In recent years there has been increasing interest in scattering and depolarization characteristics of the vegetation canopies. Scattering models applied to the microwave remote sensing of vegetation canopies showed that multiple scattering effects can be important in simulating the backscattering coefficients correctly. In particular, in most applications, the cross-polarized backscattering coefficients are often underestimated by single scattering models. Recently, there have been concerted efforts to include the second order terms in the radiative transfer models of vegetation canopies in order to account for multiple scattering within the canopy. The coherent wave theory approach is extended to include multiple scattering effects to predict the coherent and incoherent backscattering contributions from a layer of vegetation canopy. The problem is initially formulated in terms of the exact equation for the correlation function of the field, i.e., the Bethe-Salpeter equation. Using fractional volume as a small parameter, a Foldy type approximation is made to obtain a more manageable correlation equation. This equation is iterated to obtain first and second order solutions. The iteration procedure assumes the variance of the field fluctuations are small compared to the coherent intensity. This assumption proved to be particularly successful in computing backscattering coefficients. First and second order backscattering coefficients are calculated from the iterants of the correlation equation. It is shown that the first order coefficients are the same as the distorted Born results used previously by the authors. These results contained enhancement terms in the direct-reflected contributions. The important contributions to second order backscattering are examined and interpreted in terms of scattering diagrams. Examples of situations in which second order backscattering coefficients are important are given.

Lang, Roger H.↗
NASA NTRS1982

Multiple scattering calculations of rain effects

The multiple scattering calculations of rain effects are studied on the basis of calculating the incoherent intensity at 30, 60, 90, and 120 GHz. The Mie solution and the Laws-Parsons distribution are used to determine scattering and absorption characteristics. The equation of transfer and the Stokes parameters are used to determine incoherent intensities for the horizontal and vertical polarizations. The ratio of the copolarized incoherent intensity to the copolarized coherent intensity is defined as the incoherent copolarized discrimination. The ratio of the cross-polarized incoherent intensity is defined as the incoherent cross-polarized discrimination. These ratios are calculated in terms of copolarized attenuation, rain rate, and field of view. The results show that multiple scattering effects may become significant during heavy rains.

Ishimaru, A.↗
NASA NTRS1980

Multiple scattering effects on wave propagation due to rain

The paper examines the multiple scattering of microwaves due to rain and the resulting incoherent intensity for a plane wave incident on a plane-parallel rain region. General formulations of the transfer equation using Stokes parameters are presented, and an extinction matrix which takes into account depolarization effects and nonspherical droplet shape is introduced. Scattering characteristics are calculated for spherical droplets using the Mie solution and the Laws-Parsons distributions. The ratios of incoherent to coherent received powers are calculated at 30 GHz for rain rates of 12.5, 50, 100, and 150 mm/h, rain thicknesses of 3 km and 10 km, and fields of view of 1.5, 5, and 15 deg.

Ishimaru, A.↗
NASA NTRS1982

Measurement of soil moisture using remote sensing multisensor radiation techniques

Theoretical modeling as well as laboratory and field measurement were coupled with analysis of aircraft data obtained from controlled sites in an effort to enhance understanding of the microwave response due to soil moisture so as to specify sensor parameters and develop inversion algorithms. Models to predict the complex dielectric constant were produced which led to the interpretation of the results in terms of a matrix potential rather than simply moisture content. Similar advances were made in the development of coherent and incoherent radiative transfer models and rough surface scattering models.

Waite, W. P.↗
NASA NTRS1988

Modified radiative transfer theory for a two-layer anisotropic random medium

The modified radiative transfer (MRT) equations which describe propagation and scattering of the electromagnetic field intensity in a layered anisotropic random medium are derived from the Bethe-Salpeter equation with the ladder approximation and the Dyson equation with the nonlinear approximation. The extinction matrices and scattering phase matrices for both mean and incoherent field intensities are obtained. Backscattering enhancement is observed due to the spatial coherent effect between upward and downward propagating waves. It also occurs for the half-space case, because of coupling between ordinary and extraordinary waves. The depolarization effect is predicted in the first-order renormalization approximation to the MRT equation.

Lee, J. K.↗
NASA NTRS1989

Redistribution in astrophysically important hydrogen lines

Under typical solar chromospheric conditions for hydrogen radiators, strong collisions due to both electrons and ions are well separated in time, so that a binary collision theory for collisional redistribution is applicable. However, a simple impact approximation may not be used, but rather a unified type theory is required in which frequency dependent line shape parameters are used to describe both impact and quasi-static regions of the spectrum. In addition, correlated terms which describe absorption and emission during a collision are important, and, in fact, without correlated terms describing both transfer of excitation and emission during the same collision unphysical predictions (such as negative intensities) would be obtained. In this paper theory is specifically developed for the coupled Lyman-alpha, Lyman-beta, Hydrogen-alpha system, and equations of statistical equilibrium and absorption and emission coefficients are given. All correlated events are examined and emission during a collision is found to be important in the line wings. Stimulated emission and absorption is also included within a broadband approximation. The major approximation is to ignore lower state interaction. It is found that for Lyman-beta Raman-coupling with Hydrogen-alpha occurs and the overall scattering of radiation in the line wings is mostly coherent. In contrast, for Hydrogen-alpha, incoherent redistribution due to lower state radiative decay (which occurs even in the absence of collisions) is found to dominate the coherent scattering. Finally, in the Lyman series the dominant incoherent contribution is associated with cascade transitions and inelastic collisions between different principal quantum states.

Cooper, J.↗
DOE OSTI2025

Magnon damping and mode softening in quantum double-exchange ferromagnets

We present a comprehensive analysis of the magnetic excitations and electronic properties of fully quantum double-exchange ferromagnets, i.e. systems where ferromagnetic (FM) ordering emerges from the competition between spin, charge, and orbital degrees of freedom, but without the canonical approximation of using classical localized spins. Specifically, we investigate spin excitations within the Kondo lattice-like model, as well as a two-orbital Hubbard Hamiltonian in proximity to the orbital-selective Mott phase. Computational analysis of the magnon dispersion, damping, and spectral weight within these models reveals unexpected phenomena, such as magnon mode softening and the anomalous decoherence of magnetic excitations as observed in earlier experimental efforts, but explained here without the use of the phononic degrees of freedom. We show that these effects are intrinsically linked to incoherent spectral features near the Fermi level, which arise due to the quantum nature of the local (on-site) triplets. This incoherent spectrum leads to a Stoner-like continuum on which spin excitations scatter, governing magnon lifetime and strongly influencing the dynamical spin structure factor. Our study explores the transition from coherent to incoherent magnon spectra by varying the electron density. Furthermore, we demonstrate that the magnitude of the localized spin mitigates decoherence by suppressing the incoherent spectral contributions near the Fermi level. We also discuss the effective J 1 –J 2 spin Hamiltonian, which can accurately describe the large doping region characterized by the magnon-mode softening. Finally, we show that this behavior is also present in multiorbital models with partially filled orbitals, namely, in systems without localized spin moments, provided that the model is in a strong coupling regime. Our results potentially have far-reaching implications for understanding FM ordering in various multi-band systems. These findings establish a previously unknown direct connection between the electronic correlations of those materials and spin excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗