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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

The Kullback-Leibler divergence as an estimator of the statistical properties of CMB maps

The identification of unsubtracted foreground residuals in the cosmic microwave background maps on large scales is of crucial importance for the analysis of polarization signals. These residuals add a non-Gaussian contribution to the data. We propose the Kullback-Leibler (KL) divergence as an effective, non-parametric test on the one-point probability distribution function of the data. With motivation in information theory, the KL divergence takes into account the entire range of the distribution and is highly non-local. We demonstrate its use by analyzing the large scales of the Planck 2013 SMICA temperature fluctuation map and find it consistent with the expected distribution at a level of 6%. Comparing the results to those obtained using the more popular Kolmogorov-Smirnov test, we find the two methods to be in general agreement.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

THE COUPLED PHYSICAL STRUCTURE OF GAS AND DUST IN THE IM Lup PROTOPLANETARY DISK

The spatial distribution of gas and solids in protoplanetary disks determines the composition and formation efficiency of planetary systems. A number of disks show starkly different distributions for the gas and small grains compared to millimeter–centimeter-sized dust. We present new Atacama Large Millimeter/Submillimeter Array observations of the dust continuum, CO, {sup 13}CO, and C{sup 18}O in the IM Lup protoplanetary disk, one of the first systems where this dust–gas dichotomy was clearly seen. The {sup 12}CO is detected out to a radius of 970 au, while the millimeter continuum emission is truncated at just 313 au. Based upon these data, we have built a comprehensive physical and chemical model for the disk structure, which takes into account the complex, coupled nature of the gas and dust and the interplay between the local and external environment. We constrain the distributions of gas and dust, the gas temperatures, the CO abundances, the CO optical depths, and the incident external radiation field. We find that the reduction/removal of dust from the outer disk exposes this region to higher stellar and external radiation and decreases the rate of freeze-out, allowing CO to remain in the gas out to large radial distances. We estimate a gas-phase CO abundance of 5% of the interstellar medium value and a low external radiation field ( G {sub 0} ≲ 4). The latter is consistent with that expected from the local stellar population. We additionally find tentative evidence for ring-like continuum substructure, suggestions of isotope-selective photodissociation, and a diffuse gas halo.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Rotational state-to-state transition rate coefficients for H 2 O + H 2 O collisions at nonequilibrium conditions

Aims.The goal is to develop a database of rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions that is suitable for the modeling of energy transfer in nonequilibrium conditions, in which the distribution of rotational states of H 2 O deviates from local thermodynamic equilibrium. Methods.A two-temperature model was employed that assumed that although there is no equilibrium between all possible degrees of freedom in the system, the translational and rotational degrees of freedom can be expected to achieve their own equilibria independently, and that they can be approximately characterized by Boltzmann distributions at two different temperatures,T kin andT rot . Results.Upon introducing our new parameterization of the collisional rates, taking into account their dependence on bothT kin andT rot , we find a change of up to 20% in the H 2 O rotational level populations for both ortho and para-H 2 O for the part of the cometary coma where the nonequilibrium regime occurs.

Astronomy & Astrophysics↗
DOE OSTI2017

In situ study of annealing-induced strain relaxation in diamond nanoparticles using Bragg coherent diffraction imaging

Here, we observed changes in morphology and internal strain state of commercial diamond nanocrystals during high-temperature annealing. Three nanodiamonds were measured with Bragg coherent x-ray diffraction imaging, yielding three-dimensional strain-sensitive images as a function of time/temperature. Up to temperatures of 800 °C, crystals with Gaussian strain distributions with a full-width-at-half-maximum of less than 8 × 10 –4 were largely unchanged, and annealing-induced strain relaxation was observed in a nanodiamond with maximum lattice distortions above this threshold. X-ray measurements found changes in nanodiamond morphology at temperatures above 600 °C that are consistent with graphitization of the surface, a result verified with ensemble Raman measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Nonstationarity of the Efficiency Coefficient and Heating Temperatures of Water in Flat-Plate Solar Collectors

A one-dimensional nonstationary three-element distributed thermal model of a flat-plate collector with allowance for time variation of the temperatures through the “thickness” of the elements and along the length of the solar collector (SC) has been developed and software-implemented. The main data in this model consist of the thermophysical and overall parameters of the collector elements, heat carrier inlet velocity, solar radiation density, and ambient and sky temperature. To decrease the calculation variants, the variation ranges of mass flow of the heat carrier and its flow velocity were estimated for the characteristic parameters of the heat-removal channels of flat-plate SCs. It has been found that the specific mass flows of water in flat-plate SCs are 2.5–10 g/(s m{sup 2}), and the water flow velocity is 0.0005–0.002 m/s. It is shown that the instantaneous efficiency coefficient and temperature of the heat carrier can fall outside stationary values within 1–3 h. However, the daily efficiency coefficients of the SC do not fall outside the stationary values even within a day. The developed flat-plate SC model can be used to estimate the influence of the thermophysical and overall parameters of the elements, as well as the parameters of the environment, on its thermophysical characteristics when developing flat-plate SCs and methods for experimentally determining their characteristics.

14 SOLAR ENERGY↗
DOE OSTI2018

Bismuth Islands for Low-Temperature Sodium-Beta Alumina Batteries

Wetting liquid metal on the solid electrolyte of a liquid-metal battery determines the battery’s operating temperature and performance. Liquid sodium electrodes are particularly attractive because of their low cost, natural abundance, and geological distribution, but wet poorly on a solid electrolyte near its metaling temperature, limiting their widespread suitability for low-temperature batteries used for large-scale energy storage systems. Herein we develop an isolated metal island strategy that can improve sodium wetting in sodium-beta alumina batteries that allows operation at lower temperatures. Our results suggest that in situ heat treatment of a solid electrolyte followed by bismuth deposition effectively eliminates oxygen and moisture from the surface of the solid electrolyte, preventing the formation of an oxide layer on liquid sodium, leading to enhanced wetting. We also show that employing isolated bismuth islands significantly improves cell performance, retaining 94% charge after the initial cycle, an improvement over cells without bismuth islands. These results suggest that coating isolated metal islands is a promising but simple strategy for the development of low-temperature sodium-beta alumina batteries.

Jin, Dana↗
DOE OSTI2018

Numerically exact full counting statistics of the nonequilibrium Anderson impurity model

The time-dependent full counting statistics of charge transport through an interacting quantum junction is evaluated from its generating function, controllably computed with the inchworm Monte Carlo method. Exact noninteracting results are reproduced; then, we continue to explore the effect of electron-electron interactions on the time-dependent charge cumulants, first-passage time distributions, and n-electron transfer distributions. We observe a crossover in the noise from Coulomb blockade to Kondo-dominated physics as the temperature is decreased. In addition, we uncover long-tailed spin distributions in the Kondo regime and analyze queuing behavior caused by correlations between single-electron transfer events

36 MATERIALS SCIENCE↗
DOE OSTI2015

The Cheshire Cat gravitational lens: The formation of a massive fossil group

The Cheshire Cat is a relatively poor group of galaxies dominated by two luminous elliptical galaxies surrounded by at least four arcs from gravitationally lensed background galaxies that give the system a humorous appearance. Our combined optical/X-ray study of this system reveals that it is experiencing a line of sight merger between two groups with a roughly equal mass ratio with a relative velocity of ∼1350 km s{sup −1}. One group was most likely a low-mass fossil group, while the other group would have almost fit the classical definition of a fossil group. The collision manifests itself in a bimodal galaxy velocity distribution, an elevated central X-ray temperature and luminosity indicative of a shock, and gravitational arc centers that do not coincide with either large elliptical galaxy. One of the luminous elliptical galaxies has a double nucleus embedded off-center in the stellar halo. The luminous ellipticals should merge in less than a Gyr, after which observers will see a massive 1.2–1.5 × 10{sup 14} M{sub ⊙} fossil group with an M{sub r}=−24.0 brightest group galaxy at its center. Thus, the Cheshire Cat offers us the first opportunity to study a fossil group progenitor. We discuss the limitations of the classical definition of a fossil group in terms of magnitude gaps between the member galaxies. We also suggest that if the merging of fossil (or near-fossil) groups is a common avenue for creating present-day fossil groups, the time lag between the final galactic merging of the system and the onset of cooling in the shock-heated core could account for the observed lack of well-developed cool cores in some fossil groups.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Austenite Formation and Manganese Partitioning during Double Soaking of an Ultralow Carbon Medium‐Manganese Steel

Double soaking (DS) is a thermal processing route intended to produce austenite–martensite microstructures in steels containing austenite‐stabilizing additions and consists of intercritical annealing (primary soaking), followed by heating and brief isothermal holding at an increased temperature (secondary soaking), and quenching. Herein, experimental dilatometry during DS of a medium‐manganese (Mn) steel with nominally 7 wt% Mn and an ultralow residual carbon concentration, in combination with phase‐field simulations of austenite formation during secondary soaking, is presented. The feasibility of maintaining heterogeneous Mn distributions during DS is demonstrated and insight is provided on the effects of the secondary soaking temperature and prior Mn distribution on the ferrite‐to‐austenite phase transformation during the secondary soaking portion of the DS treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2026

On the Ordering Mechanism of Cu + in 2D van der Waals Multiferroic CuCrP 2 S 6

CuCrP 2 S 6 is a van der Waals multiferroic where the tunable Cu + sublattice underpins its exceptional ferroelectric and electronic switching properties. Yet, the microscopic mechanism governing Cu + ordering has remained elusive. Here, we combine single-crystal X-ray and neutron diffraction with pair distribution function analysis to uncover a temperature-driven evolution of Cu + ordering, giving rise to an incommensurate quasi-antipolar phase between the paraelectric and antiferroelectric states. The modulation originates from correlated Cu + occupancy redistribution coupled to breathing distortion of surrounding S 3 triangles, establishing a symmetry-adapted lattice distortion mode. Diffuse scattering persisting over 35 K above the transition confirms that the structural instability follows an order-disorder mechanism. The spontaneous off-centering of Cu + positions CuCrP 2 S 6 as a model platform for correlated order-disorder phenomena in 2D layered ferroics, and provides design principles for next-generation memory and logic devices.

ferroelectrics↗
DOE OSTI2016

Supramolecular clusters and chains of 2,6-dimethylpyridine on Cu(110): Observation of dynamic configuration change with real-space surface science techniques and DFT calculations

Here, the adsorption of 2,6-dimethylpyridine (2,6-DMP) on Cu(110) has been studied using low temperature scanning tunneling microscopy (LT-STM), time-of-flight electron stimulated desorption ion angular distribution (TOF-ESDIAD), and density functional theory (DFT) calculations. At low temperatures (T < ~ 150 K), the 2,6-DMP adsorbs in a flat configuration on Cu(110) producing clusters and extended domains via weak hydrogen bonding (C—H···N) with the molecular symmetry axis aligned along the < 001 > surface direction.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-Entropy Borides under Extreme Environment of Pressures and Temperatures

The high-entropy transition metal borides containing a random distribution of five or more constituent metallic elements offer novel opportunities in designing materials that show crystalline phase stability, high strength, and thermal oxidation resistance under extreme conditions. We present a comprehensive theoretical and experimental investigation of prototypical high-entropy boride (HEB) materials such as (Hf, Mo, Nb, Ta, Ti)B2 and (Hf, Mo, Nb, Ta, Zr)B2 under extreme environments of pressures and temperatures. The theoretical tools include modeling elastic properties by special quasi-random structures that predict a bulk modulus of 288 GPa and a shear modulus of 215 GPa at ambient conditions. HEB samples were synthesized under high pressures and high temperatures and studied to 9.5 GPa and 2273 K in a large-volume pressure cell. The thermal equation of state measurement yielded a bulk modulus of 276 GPa, in excellent agreement with theory. The measured compressive yield strength by radial X-ray diffraction technique in a diamond anvil cell was 28 GPa at a pressure of 65 GPa, which is a significant fraction of the shear modulus at high pressures. The high compressive strength and phase stability of this material under high pressures and high temperatures make it an ideal candidate for application as a structural material in nuclear and aerospace fields.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Spatial variation of the low-temperature micro-photoluminescence of THM-grown CdZnTeSe

The quaternary compound CdZnTeSe (CZTS) has emerged as a next-generation detector material. Unlike CdZnTe (CZT), CZTS has the distinct advantages of little or no sub-grain boundary networks and a much lower concentration of Te inclusions, plus better compositional homogeneity. Thus, the material is expected to offer better spatial charge-transport homogeneity compared to CZT. However, an inhomogeneous distribution of point defects in both CZT and CZTS, such as Cd vacancies and residual impurities, can impose additional spatial inhomogeneity of the resistivity, carrier mobilities, and carrier lifetimes of the material. To investigate the spatial distribution of such defects in CZTS, low-temperature photoluminescence (PL) spectroscopic studies were performed at different positions along a single crystalline CZTS sample surface, which was grown by the traveling heater method (THM). In conclusion, the intensity variation of the PL emission of excitons bound to a neutral acceptor defect (A 0 , X), which is likely dominated by an acceptor like Cu-related level, with respect to the PL emission line from a neutral donor-bound exciton (D 0 , X) exhibited significant spatial variation, while the peak energy positions were approximately uniform due to the high compositional and bandgap homogeneity of the material.

II-VI semiconductor↗
DOE OSTI2025

Multiscale structural analysis of polymorphic phase boundaries in doped antiferroelectric sodium niobate

In the current work, we have performed multiscale structural analysis of a Pb-free sodium niobate-based smart system, i.e., 0.9⁢NaNbO 3 –0.1⁢Ba 0.9 ⁢Ca 0.1 ⁢TiO 3 (NN-10BCT) reported earlier for its high ferroelectric response. We have investigated the temperature-dependent evolution of crystal structure at long, medium, and short ranges using synchrotron x-ray diffraction (SXRD), Raman scattering, and pair distribution function(PDF) techniques in conjunction with dielectric studies. Temperature-dependent synchrotron x-ray diffraction data combined with dielectric analysis suggest two unique polymorphic phase boundaries (PPB) with two coexisting ferroelectric phases stable in the wide temperature ranges. These PPBs are stable in different regions viz. (i) cryogenic temperatures with coexisting R3c and Pmc⁢2 1 phases (ii) vicinity of room temperatures with coexisting Pmc⁢2 1 and Amm2 phases. In contrast to the conclusions drawn from SXRD, PDF reveals structures having lower symmetry (with coexisting Cc+ Pmc2 1 phases at 1.7 ≤r≤ 20 Å) at short ranges for these PPBs. In conclusion, the presence of different long- and short-range symmetries (accommodating tilt-oriented ferroelectric phases) in the unique polymorphic phase boundaries makes them thermally stable and advantageous for technological applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

CORONAL SOURCES, ELEMENTAL FRACTIONATION, AND RELEASE MECHANISMS OF HEAVY ION DROPOUTS IN THE SOLAR WIND

The elemental abundances of heavy ions (masses larger than He) in the solar wind provide information about physical processes occurring in the corona. Additionally, the charge state distributions of these heavy ions are sensitive to the temperature profiles of their respective source regions in the corona. Heavy ion dropouts are a relatively new class of solar wind events identified by both elemental and ionic charge state distributions. We have shown that their origins lie in large, closed coronal loops where processes such as gravitational settling dominate and can cause a mass-dependent fractionation pattern. In this study we consider and attempt to answer three fundamental questions concerning heavy ion dropouts: (1) 'where are the source loops located in the large-scale corona?'; (2) 'how does the interplay between coronal processes influence the end elemental abundances?'; and (3) 'what are the most probable release mechanisms'? We begin by analyzing the temporal and spatial variability of heavy ion dropouts and their correlation with heliospheric plasma and magnetic structures. Next we investigate the ordering of the elements inside dropouts with respect to mass, ionic charge state, and first ionization potential. Finally, we discuss these results in the context of the prevailing solar wind theories and the processes they posit that may be responsible for the release of coronal plasma into interplanetary space.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Analysis of Nb{sub 3}Sn surface layers for superconducting radio frequency cavity applications

We present an analysis of Nb{sub 3}Sn surface layers grown on a bulk Niobium (Nb) coupon prepared at the same time and by the same vapor diffusion process used to make Nb{sub 3}Sn coatings on 1.3 GHz Nb cavities. Tunneling spectroscopy reveals a well-developed, homogeneous superconducting density of states at the surface with a gap value distribution centered around 2.7 ± 0.4 meV and superconducting critical temperatures (T{sub c}) up to 16.3 K. Scanning transmission electron microscopy performed on cross sections of the sample's surface region shows an ∼2 μm thick Nb{sub 3}Sn surface layer. The elemental composition map exhibits a Nb:Sn ratio of 3:1 and reveals the presence of buried sub-stoichiometric regions that have a ratio of 5:1. Synchrotron x-ray diffraction experiments indicate a polycrystalline Nb{sub 3}Sn film and confirm the presence of Nb rich regions that occupy about a third of the coating volume. These low T{sub c} regions could play an important role in the dissipation mechanisms occurring during RF tests of Nb{sub 3}Sn-coated Nb cavities and open the way for further improving a very promising alternative to pure Nb cavities for particle accelerators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Estimating Electron Temperature and Density Using Van Allen Probe Data: Typical Behavior of Energetic Electrons in the Inner Magnetosphere

Abstract The Earth's inner magnetosphere contains multiple electron populations influenced by different factors. The cold electrons of the plasmasphere, warm plasma that contributes to the ring current, and the relativistic plasma of the radiation belts often seem to behave independently. Using omni‐directional flux and energy measurements from the HOPE and Magnetic Electron Ion Spectrometer instruments aboard the Van Allen Probes, we provide a detailed density and temperature description of the inner magnetosphere, offering a comprehensive statistical analysis of the entire Van Allen Probe era. While number density and temperature data at geosynchronous orbit are available, this study focuses on the warm plasma in the inner magnetosphere . Values of density and temperature are extracted by fitting energy and phase space density to obtain the distribution function. The fitted distributions are related to the zeroth and second moments to estimate the number density and temperature. Analysis has indicated that a two Maxwellian fit is sufficient over a wide range of and that there are two independent plasma populations. The more energetic population has a median number density of approximately and a temperature of around 130 keV, with a temperature peak observed between L * = 4 and L * = 4.5. This population is relatively uniform in magnetic local time (MLT). In contrast, the less energetic warm electron population has a median number density of about and a temperature of 7.4 keV. Strong statistical trends in density and temperature across both L * and MLT are presented, along with potential sources driving these variations.

58 GEOSCIENCES↗