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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Aerothermodynamics of a MESUR Martian entry

Computational fluid dynamics models for the thermodynamics and transport properties used in an equilibrium version of the Langley Aerothermodynamics Upwind Relaxation Algorithm (LAURA) for Martian Atmospheric entries are described. In addition, the physical models used in a nonequilibrium version of LAURA for Martian-entry flows are described. Uncertainties exist in defining constants used in the transport properties for the equilibrium model and in many of the physical models for the nonequilibrium version. Solutions from the two codes using the best available constants are examined at the Martian-entry conditions characteristic of the Mars Environmental Survey (MESUR) mission. While the flowfields are near thermal equilibrium, chemical nonequilibrium effects are present in the entry cases examined. Convective heating at the stagnation point for these flows (assuming fully catalytic wall boundary conditions) is approximately 100 W/sq cm. Radiative heating is negligible.

Mitcheltree, R. A.↗
NASA NTRS1994

Aerothermodynamic methods for a Mars environmental survey Mars entry

Computational fluid dynamics models for the thermodynamics and transport properties used in an equilibrium version of the Langley aerothermodynamics upwind relaxation algorithm (LAURA) for Mars atmospheric entries are described. In addition, the physical models used in a nonequilibrium version of LAURA for Mars-entry flows are described. Uncertainties exist in defining constants used in the transport properties for the equilibrium model and in many of the physical models for the nonequilibrium version. Solutions from the two codes using the best available constants are examined at the Mars-entry conditions characteristics of the Mars environmental survey mission. While the flowfields are near thermal equilibrium, chemical nonequilibrium effects are present in the entry cases examined. Convective heating at the stagnation point for these flows (assuming fully catalytic wall boundary conditions) is approximately 100 W/cm(exp 2). Radiative heating is negligible.

AEROTHERMODYNAMIC METHODS↗
DOE OSTI2020

Evaluating diffusion and the thermodynamic factor for binary ionic mixtures

Molecular dynamics (MD) simulations are a powerful tool for the calculation of transport properties in mixtures. Not only are MD simulations capable of treating multicomponent systems, they are also applicable over a wide range of temperatures and densities. In plasma physics, this is particularly important for applications such as inertial confinement fusion. While many studies have focused on the effect of plasma coupling on transport properties, here we focus on the effects of mixing. We compute the thermodynamic factor, a measure of ideal/non-ideal mixing, for three binary ionic mixtures. Here, we consider mixtures of hydrogen and carbon, hydrogen and argon, and argon and carbon, each at 500 randomly generated state points in the warm dense matter and plasma regimes. The calculated thermodynamic factors indicate different mixing behavior across phase space, which can significantly affect the corresponding mutual diffusion coefficients. As MD simulations are still computationally expensive, we apply modern data science tools to predict the thermodynamic factor over a large phase space. Further, we propose a more accurate approximation to the mutual diffusion coefficient than the commonly applied Darken relation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Fast Exciton Diffusion in Monolayer PtSe2

Recently, 2D noble metal dichalcogenides have drawn considerable attention due to their thickness-tunable electronic and optical properties. However, the dynamical properties of photocarriers in these materials are less studied. In this report photocarrier dynamics in monolayer and bilayer PtSe 2 samples prepared by chemical vapor deposition are studied by transient absorption microscopy. Spatially and temporally resolved differential reflectance measurements yield room-temperature exciton lifetimes of 25 and 50 ps for monolayer and bilayer samples, respectively. The exciton diffusion coefficient in monolayer PtSe 2 is found to be as large as 48 cm 2 s -1 . This value is higher than exciton diffusion coefficients of most known monolayer semiconductors. The deduced exciton mobility is close to the theoretical limit of charge carrier mobility of monolayer PtSe 2 . The superior exciton transport property is unique to monolayers, as the exciton diffusion coefficient drops to 6.7 cm 2 s -1 in bilayers PtSe 2 . The novel exciton transport properties, along with its high air stability, make monolayer PtSe 2 an attractive material for ultrathin excitonic devices. These results provide insights on the exciton dynamic properties of 2D PtSe 2 and help develop fundamental understanding on the performance of various optoelectronic devices based on 2D PtSe 2 . .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1997

High performance thermoelectric materials and methods of preparation

Transition metals (T) of Group VIII (Co, Rh and Ir) have been prepared as semiconductor alloys with Sb having the general formula TSb.sub.3. The skutterudite-type crystal lattice structure of these semiconductor alloys and their enhanced thermoelectric properties results in semiconductor materials which may be used in the fabrication of thermoelectric elements to substantially improve the efficiency of the resulting thermoelectric device. Semiconductor alloys having the desired skutterudite-type crystal lattice structure may be prepared in accordance with the present invention by using vertical gradient freeze techniques, liquid-solid phase sintering techniques, low temperature powder sintering and/or hot-pressing. Measurements of electrical and thermal transport properties of selected semiconductor materials prepared in accordance with the present invention, demonstrated high Hall mobilities (up to 8000 cm.sup.2.V.sup.-1.s.sup.-1), good Seebeck coefficients (up to 400 .mu.VK.sup.-1 between 300.degree. C. and 700.degree. C.), and low thermal conductivities (as low as 15 mW/cmK). Optimizing the transport properties of semiconductor materials prepared from elemental mixtures Co, Rh, Ir and Sb resulted in a two fold increase in the thermoelectric figure of merit (ZT) at temperatures as high as 400.degree. C. for thermoelectric elements fabricated from such semiconductor materials.

Fleurial, Jean-Pierre↗
DOE OSTI2020

Semi-transparent p-type barium copper sulfide as a back contact interface layer for cadmium telluride solar cells

Optically transparent p-type materials play a critical role in transparent electronics including photovoltaic (PV) devices. P-type sulfide materials offer an alternative to oxides for PV application due to improved hole transport properties. Here, we report the solution-based synthesis of earth-abundant p-type transparent conducting barium copper sulfide (α-BaCu 4 S 3 , BCS) thin films. These films were characterized using scanning electron microscopy, X-ray diffraction, UV–Vis–NIR spectrophotometry, Raman spectroscopy, and spectroscopic ellipsometry. BCS films of ~100 nm thickness transmit >70% of visible light. We report on tests of the hole transport properties of these BCS films for cadmium telluride (CdTe) photovoltaics, finding that the BCS deposition process forms a beneficial tellurium (Te) rich surface on CdTe by selectively removing Cd from the surface. Based on our study, the BCS interface layer plays dual functions for CdTe PV devices as a hole transport material and as an etchant, enhancing the resulting device performance. We observed a significant increase in open-circuit voltage of CdTe solar cells with the BCS buffer layer. Furthermore, we discuss semitransparent CdTe solar cells with BCS as a hole transport layer and indium tin oxide as a finishing electrode. Semitransparent CdTe solar cells shows 13.3% conversion efficiency for the front side illumination and 1.2% efficiency for back side illumination, indicating high recombination of charge carriers generated close to the rear CdTe/BCS/ITO contact.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Stratospheric soot - Cloud forming properties and transport processes

Soot enters the stratosphere either from the troposphere in deep thunderstorm convection, predominantly in the tropics, from midlatitude forest fires, and directly from aircraft flying above the tropopause. Particles emitted from jet aircraft are relatively ineffective as cloud droplet condensation nuclei (less than 1 percent) compared with those from forest fires (above 50 percent). Chemical and other modification during aging of the particles may influence these results in some circumstances; cloud nucleating properties can be used as a soot tracer. Such aerosols, as they grow to haze drops and ilute in increasing humidity, may form ice particles in the cold polar stratosphere or in tropical cumuli anvils at 18 to 20 km altitude at temperatures as low as -90 C. Ice may also form as particles are removed by descent through troposphere folds and enter midlatitude cirrus at levels below -40 C. In the stratosphere, ice particles may provide surfaces that catalyze heterogeneous chemical reactions; in the upper troposphere, the optical depths of cirrus clouds may be significantly increased.

Hallett, John↗
NASA NTRS1991

Electronic structure Fermi liquid theory of high Tc superconductors: Comparison of predictions with experiments

Predictions of local density functional (LDF) calculations of the electronic structure and transport properties of high T(sub c) superconductors are presented. As evidenced by the excellent agreement with both photoemission and positron annihilation experiments, a Fermi liquid nature of the 'normal' state of the high T(sub c) superconductors become clear for the metallic phase of these oxides. In addition, LDF predictions on the normal state transport properties are qualitatively in agreement with experiments on single crystals. It is emphasized that the signs of the Hall coefficients for the high T(sub c) superconductors are not consistent with the types of dopants (e.g., electron-doped or hole-doped) but are determined by the topology of the Fermi surfaces obtained from the LDF calculations.

Yu, Jaejun↗
NASA NTRS1983

Electrocatalysis of fuel cell reactions: Investigation of alternate electrolytes

Oxygen reduction and transport properties of the electrolyte in the phosphoric acid fuel cell are studied. A theoretical expression for the rotating ring-disk electrode technique; the intermediate reaction rate constants for oxygen reduction on platinum in phosphoric acid electrolyte; oxygen reduction mechanism in trifluoromethanesulfonic acid (TFMSA), considered as an alternate electrolyte for the acid fuel cells; and transport properties of the phosphoric acid electrolyte at high concentrations and temperatures are covered.

Chin, D. T.↗
DOE OSTI2025

Influence of Ether-Functionalized Pyrrolidinium Ionic Liquids on Properties and Li + Cation Solvation in Solvate Ionic Liquids

Ionic liquids are tunable solvents composed entirely of ions that have properties desirable as electrolytes for lithium batteries such as non-flammability and a large electrochemical stability window. Solvate ionic liquids are a subclass of ionic liquids that consist of a glyme-based solvent and lithium salt in an equimolar ratio, where Li + cation-glyme solvation interactions result in ionic liquid-like properties. LiG4TFSi is a well-studied solvate ionic liquid consisting of equimolar amounts of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and tetraglyme (G4). In this work, pyrrolidinium ionic liquids with ether-functionalized side chains were synthesized containing either one ether (EO1) moiety or three ether (EO3) moieties and mixed with LiG4TFSI to form a new class of electrolyte mixtures. Their physical and transport properties, as well as ion solvation structures, were characterized by electrochemical, thermal, rheological, and spectroscopic measurements. The conductivity of the electrolyte mixture composed of EO1:LiTFSI:G4 in a 1:1:1 molar ratio is 2.54 mS/cm at 30 °C, compared to 1.53 mS/cm for LiG4TFSI, an increase of 67%. A significant decrease in the conductivity to 0.279 mS/cm is observed for the EO3:LiTFSI:G4 mixture in a 1:1:0.4 molar ratio. Pulsed-field gradient nuclear magnetic resonance (PFG-NMR) measurements revealed that the EO1 cation diffuses significantly faster than the EO3 cation in their respective mixtures. Liquid-state 13 C NMR experiments indicate that Li + cations preferentially coordinate with tetraglyme. Li + cations do not coordinate with the EO1 cation and only coordinate with EO3 ether side chains at lower concentrations of tetraglyme. We hypothesize that the oligoether EO3 cation competes with G4 and TFSI - for lithium cation solvation in G4 deficient compositions, leading to a largely adverse effect on the mass transport properties of the electrolyte.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Fluid flow analysis of the SSME high pressure fuel and oxidizer turbine coolant systems

The objective is to provide improved analysis capability for the Space Shuttle Main Engine (SSME) high pressure fuel and oxidizer turbine coolant systems. Each of the systems was analyzed to determine fluid flow rate and thermodynamic and transport properties at all key points in the systems. Existing computer codes were used as a baseline for these analyses. These codes were modified to provide improved analysis capability. The major areas of improvement are listed. A review of the drawings was performed, and pertinent geometry changes were included in the models. Improvements were made in the calculation of thermodynamic and transport properties for a mixture of hydrogen and steam. A one-dimensional turbine model for each system is included as a subroutine to each code. This provides a closed loop analysis with a minimum of required boundary conditions as input. An improved labyrinth seal model is included in the high pressure fuel turbine coolant model. The modifications and the analysis results are presented in detail.

Teal, G. A.↗
DOE OSTI2025

Electrical Transport Interplay with Charge Density Waves, Magnetization, and Disorder Tuned by 2D van der Waals Interface Modification via Elemental Intercalation and Substitution in ZrTe 3 , 2H-TaS 2 , and Cr 2 Si 2 Te 6 Crystals

Electrical transport in 2D materials exhibits unique behaviors due to reduced dimensionality, broken symmetries, and quantum confinement. It serves as both a sensitive probe for the emergence of coherent electronic phases and a tool to actively manipulate many-body correlated states. Exploring their interplay and interdependence is crucial but remains underexplored. This review integratively cross-examines the atomic and electronic structures and transport properties of van der Waals-layered crystals ZrTe 3 , 2H-TaS 2 , and Cr 2 Si 2 Te 6 , providing a comprehensive understanding and uncovering new discoveries and insights. A common observation from these crystals is that modifying the atomic and electronic interface structures of 2D van der Waals interfaces using heteroatoms significantly influences the emergence and stability of coherent phases, as well as phase-sensitive transport responses. In ZrTe 3 , substitution and intercalation with Se, Hf, Cu, or Ni at the 2D vdW interface alter phonon–electron coupling, valence states, and the quasi-1D interface Fermi band, affecting the onset of CDW and SC, manifested as resistance upturns and zero-resistance states. We conclude here that these phenomena originate from dopant-induced variations in the lattice spacing of the quasi-1D Te chains of the 2D vdW interface, and propose an unconventional superconducting mechanism driven by valence fluctuations at the van Hove singularity, arising from quasi-1D lattice vibrations. Short-range in-plane electronic heterostructures at the vdW interface of Cr 2 Si 2 Te 6 result in a narrowed band gap. The sharp increase in in-plane resistance is found to be linked to the emergence and development of out-of-plane ferromagnetism. The insertion of 2D magnetic layers such as Mn, Fe, and Co into the vdW gap of 2H-TaS 2 induces anisotropic magnetism and associated transport responses to magnetic transitions. Overall, 2D vdW interface modification offers control over collective electronic behavior, transport properties, and their interplays, advancing fundamental science and nanoelectronic devices.

2D van der Waals interfaces↗
NASA NTRS1972

High enthalpy hypersonic boundary layer flow

A theoretical and experimental study of an ionizing laminar boundary layer formed by a very high enthalpy flow (in excess of 12 eV per atom or 7000 cal/gm) with allowance for the presence of helium driver gas is described. The theoretical investigation has shown that the use of variable transport properties and their respective derivatives is very important in the solution of equilibrium boundary layer equations of high enthalpy flow. The effect of low level helium contamination on the surface heat transfer rate is minimal. The variation of ionization is much smaller in a chemically frozen boundary layer solution than in an equilibrium boundary layer calculation and consequently, the variation of the transport properties in the case of the former was not essential in the integration. The experiments have been conducted in a free piston shock tunnel, and a detailed study of its nozzle operation, including the effects of low levels of helium driver gas contamination has been made. Neither the extreme solutions of an equilibrium nor of a frozen boundary layer will adequately predict surface heat transfer rate in very high enthalpy flows.

Yanow, G.↗
DOE OSTI2025

In-Tank Processing Using Low Temperature Aluminum Dissolution: Year 1 Progress Report

The Hanford Site stores approximately 56 million gallons of radioactive legacy defense waste in underground tanks. This study investigates the feasibility of utilizing in-tank low-temperature aluminum dissolution to favorably alter the transport properties of aluminum-rich southeast quadrant waste sludges, thereby de-risking sludge delivery for Direct Feed of High-Level Waste. Specifically, this study aims to assess the rate and extent of gibbsite dissolution under various conditions, including different particle sizes (~10 to 90 µm), NaOH concentrations (1 to 6 M), and the presence of specific analytes such as NO 2 - , NO 3 - , and other aluminum-rich waste background analytes, using simulated waste solids and liquids. Experimental tests were designed to highlight the impact of aluminum leaching on simulated waste transport properties, quantified by the just-suspended mixing speed (NJS), and were conducted under well-mixed, turbulent conditions, ensuring full suspension of gibbsite particles using an overhead mixer. The results suggest that the presence of NO 2 - and NO 3 - , in conjunction with leaching at relatively low free hydroxide contents, improved transport requirements (i.e., lowered NJS) for pure gibbsite slurries. These findings will inform the design of potential in-tank processing systems, optimizing aluminum dissolution for improved waste management in the Hanford Tank Farms.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Cellulose acetate membranes exhibit exceptional monovalent to divalent cation selectivities

Salt transport properties of cellulose acetate membranes are reported for a series of chloride salts with mono- valent and divalent cations (LiCl, NaCl, MgCl 2 , CaCl 2 ). Measurements include salt permeability and sorption, with diffusivity values calculated from the permeability and sorption results. We report an exceptionally high LiCl/MgCl 2 selectivity of 750:1. Salts with similar valence (LiCl and NaCl; MgCl 2 and CaCl 2 ) have similar transport properties. The high monovalent/divalent selectivity arises from differences in both sorption and diffusion, with a LiCl/MgCl 2 solubility selectivity of about 11 and a diffusivity selectivity of about 70. Atomistic molecular dynamics simulations show that ions tend to reside in isolated clusters of water. Increasing ion charge strengthens ion–water interactions relative to ion–polymer interactions, explaining the reduced sorption of divalent ions. Diffusion of ions through the membrane occurs via hop-like motion between water clusters. Lithium diffuses faster than magnesium due to weaker ion–water coordination for lithium, which allows for greater mobility within water clusters and more frequent hopping. Altogether, our atomistic simulations suggest that the high LiCl/MgCl 2 selectivity is linked to cellulose acetate’s high water/salt selectivity and is a consequence of low water content and relatively uniform water distribution.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Distinguishing the gapped and Weyl semimetal scenario in ZrTe 5 : insights from an effective two-band model

In this work, we study the static and dynamic transport properties of a low-energy two-band model proposed previously in Martino et al. [PRL 122, 217402 (2019)], with an anisotropic in-plane linear momentum dependence and a parabolic out-of-plane dispersion. The model is extended to include a negative band gap, which leads to the emergence of a Weyl semimetal (WSM) state, as opposed to the gapped semimetal (GSM) state when the band gap is positive. Furthermore, we calculate and compare the zero- and finite-frequency transport properties of the GSM and WSM cases. The DC properties that are calculated for the GSM and WSM cases are Drude spectral weight, mobility, and resistivity. We determine their dependence on the Fermi energy and crystal direction. The in- and out-of-plane optical conductivities are calculated in the limit of the vanishing interband relaxation rate for both semimetals. The main common features are an ω 1/2 in-plane and ω 3/2 out-of-plane frequency dependence of the optical conductivity. We seek particular features related to the charge transport that could unambiguously point to one ground state over the other, based on the comparison with the experiment. Differences between the WSM and GSM are in principle possible only at extremely low carrier concentrations and at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Effect of realistic out-of-plane dopant potentials on the superfluid density of overdoped cuprates

Recent experimental papers on hole-doped overdoped cuprates have argued that a series of observations showing unexpected behavior in the superconducting state imply the breakdown of the quasiparticle-based Landau–BCS paradigm in that doping range. In contrast, some of the present authors have argued that a phenomenological “dirty d-wave” theoretical analysis explains essentially all aspects of thermodynamic and transport properties in the superconducting state, provided the unusual effects of weak, out-of-plane dopant impurities are properly accounted for. Here we attempt to place this theory on a more quantitative basis by performing ab initio calculations of dopant impurity potentials for LSCO and Tl-2201. These potentials are more complex than the pointlike impurity models considered previously, and require calculation of forward scattering corrections to transport properties. Including realistic, ARPES-derived band structures, Fermi liquid renormalizations, and vertex corrections, we show that the theory can explain semiquantitatively the unusual superfluid density measurements of the two most studied overdoped materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Measurement of Charged-Pion Production in Deep-Inelastic Scattering off Nuclei with the CLAS Detector

Background: Energetic quarks in nuclear deep-inelastic scattering propagate through the nuclear medium. Processes that are believed to occur inside nuclei include quark energy loss through medium-stimulated gluon bremsstrahlung and intranuclear interactions of forming hadrons. More data are required to gain a more complete understanding of these effects. Purpose: To test the theoretical models of parton transport and hadron formation, we compared their predictions for the nuclear and kinematic dependence of pion production in nuclei. Methods: We have measured charged-pion production in semi-inclusive deep-inelastic scattering off D, C, Fe, and Pb using the CLAS detector and the CEBAF 5.014-GeV electron beam. We report results on the nuclear-to-deuterium multiplicity ratio for π + and π - as a function of energy transfer, four-momentum transfer, and pion energy fraction or transverse momentum—the first three-dimensional study of its kind. Results: The π + multiplicity ratio is found to depend strongly on the pion fractional energy z and reaches minimum values of 0.67 ± 0.03, 0.43 ± 0.02, and 0.27 ± 0.01 for the C, Fe, and Pb targets, respectively. The z dependencies of the multiplicity ratios for π + and π - are equal within uncertainties for C and Fe targets but show differences at the level of 10% for the Pb-target data. The results are qualitatively described by the GIBUU transport model, as well as with a model based on hadron absorption, but are in tension with calculations based on nuclear fragmentation functions. Conclusions: These precise results will strongly constrain the kinematic and flavor dependence of nuclear effects in hadron production, probing an unexplored kinematic region. They will help to reveal how the nucleus reacts to a fast quark, thereby shedding light on its color structure and transport properties and on the mechanisms of the hadronization process.

Moran, S.↗