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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tutorial: Machine-Learning-Based CREASE-2D Analysis of 2D SAXS Profiles to Characterize Anisotropic Nanostructures in Soft Materials

We present a tutorial to guide users on how to extend the Computational Reverse Engineering Analysis of Scattering Experiments-2D (CREASE-2D) framework to interpret their experimental two-dimensional small-angle scattering (SAS) data from soft materials (e.g., polymers, peptide amphiphiles, biomolecular fibrils). Unlike most traditional SAS analysis approaches, which typically rely on azimuthally averaged onedimensional (1D) profiles, CREASE-2D utilizes the complete 2D scattering profile to reveal information about anisotropy in the structure. In past applications, CREASE has provided insights into complex structural features, including the cross-sectional shapes of assembled nanostructures and dispersity in these features, which are difficult to discern with existing analytical models. While (1D- ) CREASE has been applied to SANS and SAXS data, this tutorial shares the steps for implementing CREASE-2D using an example of a dipeptide solution system, for which we have SAXS data. We present details for these steps involved in using CREASE-2D to interpret SAXS profiles: how to preprocess SAXS data, define relevant structural features, generate three-dimensional real-space structures for specific values of these features, train a machine learning (ML) surrogate model to predict scattering profiles for given structural features, and optimize these features using genetic algorithms (GA). Then, we use these steps to interpret complex 2DSAXS data collected from dipeptide solutions that, in microscopy images, exhibit nanoscale structures that could be elliptical tubes/ flat tapes/cylinders or a combination of these cross sections. Open-source codes, computational hardware, and software requirements, as well as the strengths and limitations of this protocol, are also presented. We expect researchers working with (soft) biomaterials, peptide amphiphiles, amphiphilic polymer solutions, polymer nanocomposites, and blends of particles/polymers will find this CREASE-2D method and this tutorial of use.

CREASE↗
DOE OSTI2026

Origins of anisotropic linear magnetoresistance with isotropic mobility in Cd 3 As 2 films on GaAs$[110]$

Thin film synthesis allows for the potential to orient crystals in different orientations, permitting measurement of orientation-dependent material aspects such as band structures and transport anisotropy. Here, Dirac semimetal Cd 3 As 2 films are epitaxially grown on GaAs$[110]$ substrates, which has a $[001]$ orientation in-plane. Films contain domains of two different c-axis orientations resulting from an aligned a-axis in-plane. Magnetoresistance measurements performed along both $[1\bar{1}0]$ and $[001]$ substrate directions reveal similar mobility and carrier concentration, but much larger magnetoresistance along the $[001]$ direction, which can be explained by the guiding center diffusion model as arising from anisotropic disorder and different atomic spacings.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Vector meson production in ultraperipheral heavy ion collisions

We review model calculations of exclusive vector meson production in ultraperipheral heavy ion collisions. We highlight differences and similarities between different dipole models and leading twist shadowing calculations. Recent color glass condensate calculations are presented with focus on effects from nuclear structure and azimuthal anisotropies driven by interference effects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Weak Dispersion of Exciton Landé Factor with Band Gap Energy in Lead Halide Perovskites: Approximate Compensation of the Electron and Hole Dependences

The optical properties of lead halide perovskite semiconductors in vicinity of the bandgap are controlled by excitons, so that investigation of their fundamental properties is of critical importance. The exciton Landé or g-factor g X is the key parameter, determining the exciton Zeeman spin splitting in magnetic fields. The exciton, electron, and hole carrier g-factors provide information on the band structure, including its anisotropy, and the parameters contributing to the electron and hole effective masses. Here, g X is measured by reflectivity in magnetic fields up to 60 T for lead halide perovskite crystals. The materials band gap energies at a liquid helium temperature vary widely across the visible spectral range from 1.520 up to 3.213 eV in hybrid organic–inorganic and fully inorganic perovskites with different cations and halogens: FA 0.9 Cs 0.1 PbI 2.8 Br 0.2 , MAPbI 3 , FAPbBr 3 , CsPbBr 3 , and MAPb(Br 0.05 Cl 0.95 ) 3 . The exciton g-factors are found to be nearly constant, ranging from +2.3 to +2.7. Thus, the strong dependences of the electron and hole g-factors on the bandgap roughly compensate each other when combining to the exciton g-factor. The same is true for the anisotropies of the carrier g-factors, resulting in a nearly isotropic exciton g-factor. The experimental data are compared favorably with model calculation results.

36 MATERIALS SCIENCE↗
NASA NTRS1985

The 13C nuclear magnetic resonance in graphite intercalation compounds

The (13)C NMR chemical shifts of graphite intercalation compounds were calculated. For acceptor types, the shifts come mainly from the paramagnetic (Ramsey) intra-atomic terms. They are related to the gross features of the two-dimensional band structures. The calculated anisotropy is about -140 ppm and is independent of the finer details such as charge transfer. For donor types, the carbon 2p pi orbitals are spin-polarized because of mixing with metal conduction electrons, thus there is an additional dipolar contribution which may be correlated with the electronic specific heat. The general agreement with experimental data is satisfactory.

Tsang, T.↗
NASA NTRS1985

C-13 nuclear magnetic resonance in graphite intercalation compounds

The C-13 NMR chemical shifts of graphite intercalation compounds have been calculated. For acceptor types, the shifts come mainly from the paramagnetic (Ramsey) intra-atomic terms. They are related to the gross features of the two-dimensional band structures. The calculated anisotropy is about - 140 ppm and is independent of the finer details such as charge transfer. For donor types, the carbon 2p pi orbitals are spin-polarized because of mixing with metal-conduction electrons, thus there is an additional dipolar contribution which may be correlated with the electronic specific heat. The general agreement with experimental data is satisfactory.

Tsang, T.↗
NASA NTRS1988

Active Cavity Radiometer (ACR)

The objective of the Active Cavity Radiometer (ACR) experiment on the Atmospheric Laboratory for Applications and Science (ATLAS) mission is the measurement of the total solar irradiance with state-of-the-art accuracy and precision. This experiment is part of an ongoing program of space flight observations to study short- and long-term variations in the total solar output of optical energy. Precise observations of solar total irradiance provide information on the solar cycle and other long-term trends in solar output that are of climatological significance as well as short-term solar physics phenomena such as radiation anisotropy, active region structure, missing flux due to sunsports, bolometry of solar flares, global oscillations, coronal holes, and large-scale convective flows. The principal role of the ATLAS ACR observations will be in support of extended solar irradiance experiments on free-flying satellites. Annual in-flight comparison of observations by both ATLAS and free-flying experiments is an important part of sustaining the long-term precision of the climatological solar irradiance data base at the required + or - 0.1 percent level. Another role for ATLAS solar irradiance measurements will be establishment of the radiation scale at the solar total flux level in the International System of Units (SI). Two types of pyrheliometers, the ACR and SOLCON, will be directly intercompared during the ATLAS 1 mission. Addition of other sensors is planned for future reflights. Comparisons of solar observations by different pyrheliometers in the shuttle space environment will provide the most definitive experiment for determining their accuracy in defining the radiation scale at the solar total flux level.

Willson, R. C.↗
NASA NTRS1990

Application of the embedded atom method to Pb and Be

We have derived the embedding energy functional and two-body potential of the embedded atom method using decreasing exponentials for both the electron density and the two body potential. The embedding function was obtained from the equation of state given by Rose et al. (1984). Because of the form of the embedding function, the equilibrium lattice constant, cohesive energy, and bulk modulus are automatically satisfied. The two parameters phi(e) and gamma of the two-body potential were determined by fitting to shear modulus and the single vacancy formation energy. Contributions of up to the third nearest neighbors were included in the evaluation of the charge density rho and the two-body potential phi. The stability and anisotropy of each structure were estimated and compared with the available experimental data.

Karimi, M.↗
NASA NTRS1991

Cosmic-structure constraints from a one-degree microwave-background anisotropy experiment

A recent anisotropy experiment with a 30-arcmin beam is close to optimal for testing models in which cosmic structure arose from inflation-generated Gaussian density perturbations. Using a Bayesian analysis to constrain the amplitude of the perturbation spectrum, it is shown that adiabatic hot-dark-matter models are convincingly ruled out and cold-dark-matter models have anisotropies near the derived limits. Theories with broken scale invariance such as isocurvature baryon models are strongly constrained, as are models with extra power crafted to give significant large-scale structures and flows.

Bond, J. R.↗
NASA NTRS1989

Distortion of homogeneous turbulence by axisymmetric strain and dilatation

Rapid distortion theory is applied to study distortion of homogeneous turbulence subject to two different axisymmetric strain modes: the axisymmetric contraction (AC, nozzle-type flow), and the axisymmetric expansion (AE, diffuser-type flow). The paper explores the differences in effects of the two axisymmetric strain modes on the anisotropy of correlations and structures of turbulence; examines the effect of dilatation on the distortion of turbulence; and provides a theoretical background for turbulence model development. It is found that velocity and vorticity fluctuations are enhanced more efficiently by contraction than by expansion; contraction produces much higher anisotropy in velocity and vorticity than expansion; root-mean-square pressure is slightly reduced during contraction, whereas it increases rapidly during expansion; and vortical structures of rodlike shape develop in a contraction flow, while disklike structures develop in an expansion flow. A simple model that reflects the dependence of turbulence evolution on structural parameters such as the Reynolds-stress anisotropy and total strain is proposed, and is shown to outperform all other models for all cases examined, regardless of the mean strain rate.

Lee, Moon Joo↗
DOE OSTI2022

A molecular dynamics survey of grain boundary energy in uranium dioxide and cerium dioxide

Uranium dioxide (UO 2 ) is the primary fuel material that is used in current nuclear reactors. As one of the most fundamental material parameters, grain boundary (GB) energy strongly influences many fuel properties, and the influences depend on the characters and properties of individual GBs. Using molecular dynamics simulations, a high throughput survey of GB energy in UO 2 was carried out for the purpose of elucidating the roles of GB geometry such as misorientation and inclination, as well as the bonding nature of UO 2 , in affecting GB energy. GB energies in CeO 2 were calculated as well for comparison with UO2toinvestigate the generality of GB energy anisotropy in fluorite phase oxides. The results show significant GB energy anisotropy in both UO 2 and CeO 2 that is associated with the cubic symmetry of the fluorite structure. More interestingly, the GB anisotropy is found to be dependent not only on the crystal structure but also the ionic bonding. As such, the GB energy anisotropy in fluorite oxides has significant differences compared with that in fcc metals. We report that the data obtained and the increased knowledge on GB anisotropy will facilitate GB engineering for nuclear fuels with improved properties

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2001

Observing the Cosmic Microwave Background Radiation: A Unique Window on the Early Universe

The cosmic microwave background radiation is the remnant heat from the Big Bang. It provides us with a unique probe of conditions in the early universe, long before any organized structures had yet formed. The anisotropy in the radiation's brightness yields important clues about primordial structure and additionally provides a wealth of information about the physics,of the early universe. Within the framework of inflationary dark matter models observations of the anisotropy on sub-degree angular scales will reveal the signatures of acoustic oscillations of the photon-baryon fluid at a redshift of approx. 1100. The validity of inflationary models will be tested and, if agreement is found, accurate values for most of the key cosmological parameters will result. If disagreement is found, we will need to rethink our basic ideas about the physics of the early universe. I will present an overview of the physical processes at work in forming the anisotropy and discuss what we have already learned from current observations. I will conclude with a brief overview of the recently launched Microwave Anisotropy Probe (MAP) mission which will observe the anisotropy over the full sky with 0.21 degree angular resolution. At the time of this meeting, MAP will have just arrived at the L2 Lagrange point, marking the start of its observing campaign. The MAP hardware is being produced by Goddard in partnership with Princeton University.

Hinshaw, Gary↗
NASA NTRS2008

The Cosmic Microwave Background Radiation - A Unique Window on the Early Universe

The cosmic microwave background radiation is the remnant heat from the Big Bang. It provides us with a unique probe of conditions in the early universe, long before any organized structures had yet formed. The anisotropy in the radiation's brightness yields important clues about primordial structure and additionally provides a wealth of information about the physics of the early universe. Within the framework of inflationary dark matter models, observations of the anisotropy on sub-degree angular scales reveals the signatures of acoustic oscillations of the photon-baryon fluid at a redshift of approximately 1100. Data from the first five years of operation of the Wilkinson Microwave Anisotropy Probe (WMAP) satellite provide detailed full-sky maps of the cosmic microwave background temperature and polarization anisotropy. Together, the data provide a wealth of cosmological information, including the age of the universe, the epoch when the first stars formed, and the overall composition of baryonic matter, dark matter, and dark energy. The results also provide constraints on the period of inflationary expansion in the very first moments of time. WMAP, part of NASA's Explorers program, was launched on June 30, 2001. The WMAP satellite was produced in a partnership between the Goddard Space Flight Center and Princeton University. The WMAP team also includes researchers at Johns Hopkins University; the Canadian Institute of Theoretical Astrophysics; University of Texas; Oxford University; University of Chicago; Brown university; University of British Columbia; and University of California, Los Angeles.

Hinshaw, Gary F.↗
NASA NTRS2009

The Cosmic Microwave Background Radiation - A Unique Window on the Early Universe

The cosmic microwave background radiation is the remnant heat from the Big Bang. It provides us with a unique probe of conditions in the early universe, long before any organized structures had yet formed. The anisotropy in the radiation's brightness yields important clues about primordial structure and additionally provides a wealth of information about the physics of the early universe. Within the framework of inflationary dark matter models, observations of the anisotropy on sub-degree angular scales reveals the signatures of acoustic oscillations of the photon-baryon fluid at a redshift of approx. 1100. Data from the first five years of operation of the Wilkinson Microwave Anisotropy Probe (WMAP) satellite provide detailed full-sky maps of the cosmic microwave background temperature and polarization anisotropy. Together, the data provide a wealth of cosmological information, including the age of the universe, the epoch when the first stars formed, and the overall composition of baryonic matter, dark matter, and dark energy. The results also provide constraints on the period of inflationary expansion in the very first moments of time.

Hinshaw, Gary F.↗
NASA NTRS2009

The Cosmic Microwave Background Radiation - A Unique Window on the Early Universe

The cosmic microwave background radiation is the remnant heat from the Big Bang. It provides us with a unique probe of conditions in the early universe, long before any organized structures had yet formed. The anisotropy in the radiation's brightness yields important clues about primordial structure and additionally provides a wealth of information about the physics of the early universe. Within the framework of inflationary dark matter models, observations of the anisotropy on sub-degree angular scales reveals the signatures of acoustic oscillations of the photon-baryon fluid at a redshift of approximately 1100. Data from the first five years of operation of the Wilkinson Microwave Anisotropy Probe (WMAP) satellite provide detailed full-sky maps of the cosmic microwave background temperature and polarization anisotropy. Together, the data provide a wealth of cosmological information, including the age of the universe, the epoch when the first stars formed, and the overall composition of baryonic matter, dark matter, and dark energy. The results also provide constraints on the period of inflationary expansion in the very first moments of time. WMAP, part of NASA's Explorers program, was launched on June 30, 2001. The WMAP satellite was produced in a partnership between the Goddard Space Flight Center and Princeton University. The WMAP team also includes researchers at the Johns Hopkins University; the Canadian Institute of Theoretical Astrophysics; University of Texas; Oxford University; University of Chicago; Brown University; University of British Columbia; and University of California, Los Angeles.

Hinshaw, Gary F.↗
NASA NTRS2010

The Cosmic Microwave Background Radiation-A Unique Window on the Early Universe

The cosmic microwave background radiation is the remnant heat from the Big Bang. It provides us with a unique probe of conditions in the early universe, long before any organized structures had yet formed. The anisotropy in the radiation's brightness yields important clues about primordial structure and additionally provides a wealth of information about the physics of the early universe. Within the framework of inflationary dark matter models, observations of the anisotropy on sub-degree angular scales reveals the signatures of acoustic oscillations of the photon-baryon fluid at a redshift of ~ 11 00. Data from the first seven years of operation of the Wilkinson Microwave Anisotropy Probe (WMAP) satellite provide detailed full-sky maps of the cosmic microwave background temperature and polarization anisotropy. Together, the data provide a wealth of cosmological information, including the age of the universe, the epoch when the first stars formed, and the overall composition of baryonic matter, dark matter, and dark energy. The results also provide constraints on the period of inflationary expansion in the very first moments of time. WMAP, part of NASA's Explorers program, was launched on June 30, 2001. The WMAP satellite was produced in a partnership between the Goddard Space Flight Center and Princeton University. The WMAP team also includes researchers at the Johns Hopkins University; the Canadian Institute of Theoretical Astrophysics; University of Texas; Oxford University; University of Chicago; Brown University; University of British Columbia; and University of California, Los Angeles.

Hinshaw, Gary↗
DOE OSTI2022

Optically Induced Anisotropy in Time-Resolved Scattering: Imaging Molecular-Scale Structure and Dynamics in Disordered Media with Experiment and Theory

Time-resolved scattering experiments enable imaging of materials at the molecular scale with femtosecond time resolution. However, in disordered media they provide access to just one radial dimension thus limiting the study of orientational structure and dynamics. Here we introduce a rigorous and practical theoretical framework for predicting and interpreting experiments combining optically induced anisotropy and time-resolved scattering. Using impulsive nuclear Raman and ultrafast x-ray scattering experiments of chloroform and simulations, we demonstrate that this framework can accurately predict and elucidate both the spatial and temporal features of these experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

On the elastic anisotropy of the entropy-stabilized oxide (Mg, Co, Ni, Cu, Zn)O compound

Herein, we study the elastic properties of the entropy-stabilized oxide (Mg, Co, Ni, Cu, Zn)O using experimental and first principles techniques. Our measurements of the indentation modulus on grains with a wide range of crystallographic orientations of the entropy-stabilized oxide revealed a high degree of elastic isotropy at ambient conditions. First principles calculations predict mild elastic anisotropy for the paramagnetic structure, which decreases when the system is considered to be non-magnetic. When the antiferromagnetic state of CoO, CuO, and NiO is accounted for in the calculations, a slight increase in elastic anisotropy is observed, suggesting a coupling between magnetic ordering and the orientation dependent elastic properties. Furthermore, an examination of the local structure reveals that the isotropy is favored through local ionic distortions of Cu and Zn—due to their tendencies to form tenorite and wurtzite phases. The relationships between the elastic properties of the multicomponent oxide and those of its constituent binary oxides are reviewed. These insights open up new avenues for controlling isotropy for technological applications through tuning composition and structure in the entropy-stabilized oxide or the high-entropy compounds in general.

Entropy↗