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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Thermodynamically constrained correction to ab initio equations of state

We show how equations of state generated by density functional theory methods can be augmented to match experimental data without distorting the correct behavior in the high- and low-density limits. The technique is thermodynamically consistent and relies on knowledge of the density and bulk modulus at a reference state and an estimation of the critical density of the liquid phase. We apply the method to four materials representing different classes of solids: carbon, molybdenum, lithium, and lithium fluoride. It is demonstrated that the corrected equations of state for both the liquid and solid phases show a significantly reduced dependence of the exchange-correlation functional used.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

Method for determining transport critical current densities and flux penetration depth in bulk superconductors

A contact-less method for determining transport critical current density and flux penetration depth in bulk superconductor material. A compressor having a hollow interior and a plunger for selectively reducing the free space area for distribution of the magnetic flux therein are formed of superconductor material. Analytical relationships, based upon the critical state model, Maxwell's equations and geometrical relationships define transport critical current density and flux penetration depth in terms of the initial trapped magnetic flux density and the ratio between initial and final magnetic flux densities whereby data may be reliably determined by means of the simple test apparatus for evaluating the current density and flux penetration depth.

Israelsson, Ulf E.↗
DOE OSTI2015

Electrochemical-acoustic time of flight: in operando correlation of physical dynamics with battery charge and health

We demonstrate that a simple acoustic time-of-flight experiment can measure the state of charge and state of health of almost any closed battery. An acoustic conservation law model describing the state of charge of a standard battery is proposed, and experimental acoustic results verify the simulated trends; furthermore, a framework relating changes in sound speed, via density and modulus changes, to state of charge and state of health within a battery is discussed. Regardless of the chemistry, the distribution of density within a battery must change as a function of state of charge and, along with density, the bulk moduli of the anode and cathode changes as well. The shifts in density and modulus also change the acoustic attenuation in a battery. Experimental results indicating both state-of-charge determination and irreversible physical changes are presented for two of the most ubiquitous batteries in the world, the lithium-ion 18650 and the alkaline LR6 (AA). Overall, a one-or two-point acoustic measurement can be related to the interaction of a pressure wave at multiple discrete interfaces within a battery, which in turn provides insights into state of charge, state of health, and mechanical evolution/degradation.

Hsieh, AG↗
DOE OSTI2020

Magnonic analog of the Edelstein effect in antiferromagnetic insulators

Here we investigate the nonequilibrium spin polarization due to a temperature gradient in antiferromagnetic insulators, which is the magnonic analog of the inverse spin-galvanic effect of electrons. We derive a linear-response theory of a temperature-gradient-induced spin polarization for collinear and noncollinear antiferromagnets, which comprises both extrinsic and intrinsic contributions. We apply our theory to several noncentrosymmetric antiferromagnetic insulators, i.e., to a one-dimensional antiferromagnetic spin chain, a single layer of kagome noncollinear antiferromagnet, e.g., KFe 3 ( OH ) 6 ( SO 4 ) 2 , and a noncollinear breathing pyrochlore antiferromagnet, e.g., LiGaCr 4 O 8 . The shapes of our numerically evaluated response tensors agree with those implied by the magnetic symmetry. Furthermore, assuming a realistic temperature gradient of 10 K/mm , we find two-dimensional spin densities of up to ~ 10 6 ℏ / cm 2 and three-dimensional bulk spin densities of up to ~ 10 14 ℏ / cm 3 , encouraging an experimental detection

36 MATERIALS SCIENCE↗
DOE OSTI2022

First-principles wave-vector- and frequency-dependent exchange-correlation kernel for jellium at all densities

Here we propose a spatially and temporally nonlocal exchange correlation (XC) kernel for the spin-unpolarized fluid phase of ground-state jellium for use in time-dependent density functional and linear response calculations. The kernel is constructed to satisfy known properties of the exact XC kernel to accurately describe the correlation energies of bulk jellium and to satisfy frequency-moment sum rules at a wide range of bulk jellium densities, including those low densities that display strong correlation and symmetry breaking. These effects are easier to understand in the simple jellium model than in real systems. All exact constraints satisfied by the recent MCP07 kernel are maintained in the revised MCP07 (rMCP07) kernel, while others are added. The revision $f^{rMCP07}_{XC}$ (q, ω) differs from MCP07 only for nonzero frequencies ω. Only at densities much lower than those of real bulk metals is the frequency dependence of the kernel important for the correlation energy of jellium. As the wave vector q tends to zero, the kernel has a -4$πα(ω)/q^2$ divergence whose frequency-dependent ultranonlocality coefficient $α(ω)$ vanishes in jellium, and is predicted by rMCP07 to be extremely small for the real metals Al and Na.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The transfer between electron bulk kinetic energy and thermal energy in collisionless magnetic reconnection

By performing two-dimensional particle-in-cell simulations, we investigate the transfer between electron bulk kinetic and electron thermal energy in collisionless magnetic reconnection. In the vicinity of the X line, the electron bulk kinetic energy density is much larger than the electron thermal energy density. The evolution of the electron bulk kinetic energy is mainly determined by the work done by the electric field force and electron pressure gradient force. The work done by the electron gradient pressure force in the vicinity of the X line is changed to the electron enthalpy flux. In the magnetic island, the electron enthalpy flux is transferred to the electron thermal energy due to the compressibility of the plasma in the magnetic island. The compression of the plasma in the magnetic island is the consequence of the electromagnetic force acting on the plasma as the magnetic field lines release their tension after being reconnected. Therefore, we can observe that in the magnetic island the electron thermal energy density is much larger than the electron bulk kinetic energy density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Some Aspects of the Liquid Water Thermodynamic Behavior: From The Stable to the Deep Supercooled Regime

Liquid water is considered to be a peculiar example of glass forming materials because of the possibility of giving rise to amorphous phases with different densities and of the thermodynamic anomalies that characterize its supercooled liquid phase. In the present work, literature data on the density of bulk liquid water are analyzed in a wide temperature-pressure range, also including the glass phases. A careful data analysis, which was performed on different density isobars, made in terms of thermodynamic response functions, like the thermal expansion αP and the specific heat differences C P -C V , proves, exclusively from the experimental data, the thermodynamic consistence of the liquid-liquid transition hypothesis. The study confirms that supercooled bulk water is a mixture of two liquid “phases”, namely the high density (HDL) and the low density (LDL) liquids that characterize different regions of the water phase diagram. Furthermore, the C P -C V isobars behaviors clearly support the existence of both a liquid–liquid transition and of a liquid–liquid critical point.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

2017 Meander C sediment characterization from the East River, Colorado

This dataset includes characterization data collected on sediment samples from Meander C as part of the Watershed Function Scientific Focus Area (SFA) located in the Upper Colorado River Basin. The data were collected to investigate the nature of mineral-organic associations across the meander transect and with depth. Samples were collected in 2017, and analyzed using sequential extractions (water, pyrophosphate, HCl, and dithionite) and density fractionation. Data collected include: texture, pH, root biomass, and metals (Fe, Al, Ca, Si) of bulk sediment samples; C and N of heavy fraction; and extractable OC, Fe, and Al, and organic matter characterization using high-resolution mass spectrometry (FT-ICR-MS) of sequential extractions. Sample locations are included in the ‘sample_metadata.xlsx” file. Sediment characterization data is included in the accompanying csv files: bulk and density fractions (MCB2017_density-and-bulk-fractions.csv), sequential extractions (MCB2017_sequential-extractions.csv), and FT-ICR-MS data from sequential extractions in three files to be read by the R package ftmsRanalysis (MCB2017_FTICRMS-sequential-edata.csv, MCB2017_FTICRMS-sequential-emeta.csv, and MCB2017_FTICRMS-sequential-fdata.csv). Sediment was collected in triplicate; ID’s refer to individual samples.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1975

The Pioneer 10 plasma analyzer results at Jupiter

Results are reported for the Pioneer 10 plasma-analyzer experiment at Jupiter. The analyzer system consisted of dual 90-deg quadrispherical electrostatic analyzers, multiple charged-particle detectors, and attendant electronics; it was capable of determining the incident plasma-distribution parameters over the energy range from 100 to 18,000 eV for protons and from approximately 1 to 500 eV for electrons. Data are presented on the interaction between the solar wind and the Jovian magnetosphere, the interplanetary ion flux, observations of the magnetosheath plasma, and traversals of the bow shock and magnetopause. Values are estimated for the proton isotropic temperature, number density, and bulk velocity within the magnetosheath flow field as well as for the beta parameter, ion number density, and magnetic-energy density of the magnetospheric plasma. It is argued that Jupiter has a reasonably thick magnetosphere somewhat similar to earth's except for the vastly different scale sizes involved.

Wolfe, J. H.↗
DOE OSTI2011

Two-Dimensional Dirac Fermions in a Topological Insulator: Transport in the Quantum Limit

Pulsed magnetic fields of up to 55T are used to investigate the transport properties of the topological insulator Bi{sub 2}Se{sub 3} in the extreme quantum limit. For samples with a bulk carrier density of n = 2.9 x 10{sup 16} cm{sup -3}, the lowest Landau level of the bulk 3D Fermi surface is reached by a field of 4T. For fields well beyond this limit, Shubnikov-de Haas oscillations arising from quantization of the 2D surface state are observed, with the {nu} = 1 Landau level attained by a field of {approx} 35T. These measurements reveal the presence of additional oscillations which occur at fields corresponding to simple rational fractions of the integer Landau indices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Thermal equation of state for zoisite: Implications for the transportation of water into the upper mantle and the high-velocity anomaly in the Farallon plate

Seismic tomography studies have revealed a high-velocity anomaly at depths between 100 km and 300 km in the Farallon plate. However, the reasons for the high-velocity anomaly continue to be debated. An analysis of the mineral proportions of eclogites exhumed from the Farallon plate shows that the average amount of zoisite in eclogite is ∼16.0 vol%. Therefore, the presence of zoisite eclogite needs to be considered to explain the high-velocity anomaly of the Farallon plate. However, the thermal equation of state and stability of zoisite have not been fully investigated under high pressure−temperature (P-T) conditions. We investigated the high-pressure and high-temperature behavior of natural zoisite utilizing synchrotron single crystal-X-ray diffraction (XRD). The results indicate that zoisite is metastable up to 24.8 GPa and 700 K. We obtained the ambient unit-cell volume V0 = 901.26(3) Å3 by synchrotron single crystal-XRD measurement. We also fitted the pressure-volume-temperature data to a high-temperature Birch-Murnaghan equation of state and obtained the zero-pressure bulk modulus K0 = 134.7(8) GPa, the temperature derivative of the bulk modulus (∂K/∂T)P = −0.011(4) GPa/K, and the thermal expansion coefficients α0V = 1.9(7) × 10−5 K−1 and α1V = 3(2) × 10−8 K−2 when the pressure derivative of bulk modulus (K′0) is fixed at 4. By incorporating the results from previous studies, we calculated the density and bulk sound velocity profiles of zoisite eclogite along the Farallon plate geotherm. Finally, we infer that zoisite could carry water to depths of ∼300 km within cold subducting slabs and that the bulk sound velocity of typical zoisite eclogite with ∼61.0 vol% omphacite, ∼23.0 vol% garnet, and ∼16.0 vol% zoisite could cause the high-velocity anomalies at depths of 100−300 km in the Farallon plate.

Geology↗
DOE OSTI2019

Some considerations on the water polymorphism and the liquid-liquid transition by the density behavior in the liquid phase

The bulk liquid water density data (ρ) are studied in a very large temperature pressure range including also the glass phases. A thorough analysis of their isobars, together with the suggestions of recent thermodynamical studies, gives evidence of two crossovers at T* and P* above which the hydrogen bond interaction is unable to arrange the tetrahedral network that is at the basis of the liquid polymorphism giving rise to the low density liquid (LDL). The curvatures of these isobars, as a function of T, are completely different: concave below P* (where maxima are) and convex above. In both the cases, a continuity between liquid and glass is observed with P* as the border of the density evolution toward the two different polymorphic glasses (low and high density amorphous). The experimental data of the densities of these two glasses also show a markedly different pressure dependence. Here, on the basis of these observations in bulk water and by considering a recent study on the growth of the LDL phase, by decreasing temperature, we discuss the water liquid-liquid transition and evaluate the isothermal compressibility inside the deep supercooled regime. Such a quantity shows an additional maximum that is pressure dependent that under ambient conditions agrees with a recent X-ray experiment. In particular, the present analysis suggests the presence of a liquid-liquid critical point located at about 180 MPa and 197 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

3D isotope density measurements by energy-resolved neutron imaging

Abstract Tools for three-dimensional elemental characterization are available on length scales ranging from individual atoms, using electrons as a probe, to micrometers with X-rays. However, for larger volumes up to millimeters or centimeters, quantitative measurements of elemental or isotope densities were hitherto only possible on the surface. Here, a novel quantitative elemental characterization method based on energy-resolved neutron imaging, utilizing the known neutron absorption cross sections with their ‘finger-print’ absorption resonance signatures, is demonstrated. Enabled by a pixilated time-of-flight neutron transmission detector installed at an intense short-pulsed spallation neutron source, for this demonstration 3.25 million state-of-the-art nuclear physics neutron transmission analyses were conducted to derive isotopic densities for five isotopes in 3D in a volume of 0.25 cm 3 . The tomographic reconstruction of the isotope densities provides elemental maps similar to X-ray microprobe maps for any cross section in the probed volume. The bulk isotopic density of a U-20Pu-10Zr-3Np-2Am nuclear transmutation fuel sample was measured, agrees well with mass-spectrometry and is evidence of the accuracy of the method.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Thickness and growth-condition dependence of in-situ mobility and carrier density of epitaxial thin-film Bi{sub 2}Se{sub 3}

Bismuth selenide Bi{sub 2}Se{sub 3} was grown by molecular beam epitaxy, while carrier density and mobility were measured directly in situ as a function of film thickness. Carrier density shows high interface n-doping (1.5 × 10{sup 13 }cm{sup −2}) at the onset of film conduction and bulk dopant density of ∼5 × 10{sup 11 }cm{sup −2} per quintuple-layer unit, roughly independent of growth temperature profile. Mobility depends more strongly on the growth temperature and is related to the crystalline quality of the samples quantified by ex-situ atomic force microscopy measurements. These results indicate that Bi{sub 2}Se{sub 3} as prepared by widely employed parameters is n-doped before exposure to atmosphere, the doping is largely interfacial in origin, and dopants are not the limiting disorder in present Bi{sub 2}Se{sub 3} films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Accurate lattice geometrical parameters and bulk moduli from a semilocal density functional

Accurate prediction of lattice constants is very important in applications of density functional theory. In this work, we assess the efficacy of a non-empirical meta-generalized gradient approximation proposed by Tao and Mo (TM) by calculating the lattice constants as well as bulk moduli of 33 crystalline semiconductors within the TM scheme. We find that the TM functional is able to produce very accurate lattice constants, with a mean absolute error of 0.038 Å, and bulk moduli with a mean absolute error of 3.2 GPa, improving upon commonly-used semilocal density functionals, such as the LSDA, PBE, SOGGA, PBEsol, TPSS, M06L, and SCAN. The high computational efficiency and remarkable agreements with the corresponding experimental values suggest that the TM functional can be a very competitive candidate in electronic structure theory. We attribute the accuracy of the TM functional to be the result of its satisfaction of many exact or nearly-exact conditions related to the exchange-correlation energy and the associated hole, leading to an improved description of the short- as well as intermediate-range van der Waals interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Sulfur x-ray absorption spectroscopy data from bedrock shale, soil, and floodplain sediment from the East River, Colorado watershed

This dataset includes sulfur x-ray absorption near edge spectroscopy (XANES) data collected on solid samples as a part of the Watershed Function Scientific Focus Area (SFA) located in the Upper Colorado River Basin. The data were collected in order to investigate the speciation of sulfur and degree of shale weathering in solid samples across the watershed and their impact on riverine export of sulfate. Solid samples, including shale, hillslope soil, and floodplain sediment samples collected in 2016-2018, were analyzed by bulk XANES. Density fractions of hillslope soil, including a light fraction representing particulate organic matter and a heavy fraction representing minerals are also analyzed by bulk XANES. Micro-focused XANES on a weathered shale sample (PLM6, 2.7 m) was also performed. Sample locations are included in the 'sample meta data.csv' file, and XANES data for each sample type are included in csv files.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2016

Foundational Methane Propulsion Related Technology Efforts, and Challenges for Applications to Human Exploration Beyond Earth Orbit

Current interest in human exploration beyond earth orbit is driving requirements for high performance, long duration space transportation capabilities. Continued advancement in photovoltaic power systems and investments in high performance electric propulsion promise to enable solar electric options for cargo delivery and pre-deployment of operational architecture elements. However, higher thrust options are required for human in-space transportation as well as planetary descent and ascent functions. While high thrust requirements for interplanetary transportation may be provided by chemical or nuclear thermal propulsion systems, planetary descent and ascent systems are limited to chemical solutions due to their higher thrust to weight and potential planetary protection concerns. Liquid hydrogen fueled systems provide high specific impulse, but pose challenges due to low propellant density and the thermal issues of long term propellant storage. Liquid methane fueled propulsion is a promising compromise with lower specific impulse, higher bulk propellant density and compatibility with proposed in-situ propellant production concepts. Additionally, some architecture studies have identified the potential for commonality between interplanetary and descent/ascent propulsion solutions using liquid methane (LCH4) and liquid oxygen (LOX) propellants. These commonalities may lead to reduced overall development costs and more affordable exploration architectures. With this increased interest, it is critical to understand the current state of LOX/LCH4 propulsion technology and the remaining challenges to its application to beyond earth orbit human exploration. This paper provides a survey of NASA's past and current methane propulsion related technology efforts, assesses the accomplishments to date, and examines the remaining risks associated with full scale development.

Brown, Thomas↗