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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Role of morphology in defect formation and photo-induced carrier instabilities in amorphous indium oxide

Ab initio molecular dynamics liquid-quench simulations and hybrid density functional calculations are performed to model the effects of room-temperature atomic fluctuations and photo-illumination on the structural and electronic properties of amorphous sub-stoichiometric In 2 O 2.96 . A large configurational ensemble is employed to reliably predict the distribution of localized defects as well as their response to the thermal and light activation. The results reveal that the illumination effects on the carrier concentration are greater in amorphous configurations with shorter In–O bond length and reduced polyhedral sharing as compared to the structures with a more uniform morphology. Further, the obtained correlation between the photo-induced carrier density and the reduction in the number of fully coordinated In-atoms implies that metal oxides with a significant fraction of crystalline/amorphous interfaces would show a more pronounced response to illumination. Photo-excitation also produces In–O 2 –In defects that have not been previously found in sub-stoichiometric amorphous oxides; these defects are responsible for carrier instabilities due to overdoping.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Three Jahn-Teller States of Matter in Spin-Crossover System Mn(taa)

Three high-spin phases recently discovered in the spin-crossover system Mn(taa) are identified through analysis by a combination of first-principles calculations and Monte Carlo simulation as a low-temperature Jahn-Teller ordered (solid) phase, an intermediate-temperature dynamically correlated (liquid) phase, and an uncorrelated (gas) phase. In particular, the Jahn-Teller liquid phase arises from competition between mixing with low-spin impurities, which drive the disorder, and intermolecular strain interactions. Additionally, the latter are a key factor in both the spin-crossover phase transition and the magnetoelectric coupling. Jahn-Teller liquids may exist in other spin-crossover materials and materials that have multiple equivalent Jahn-Teller axes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical

Resonant inelastic x-ray scattering (RIXS) provides remarkable opportunities to interrogate ultrafast dynamics in liquids. In this work we use RIXS to study the fundamentally and practically important hydroxyl radical in liquid water, OH ( a q ) . Impulsive ionization of pure liquid water produced a short-lived population of OH ( a q ) , which was probed using femtosecond x-rays from an x-ray free-electron laser. We find that RIXS reveals localized electronic transitions that are masked in the ultraviolet absorption spectrum by strong charge-transfer transitions—thus providing a means to investigate the evolving electronic structure and reactivity of the hydroxyl radical in aqueous and heterogeneous environments. First-principles calculations provide interpretation of the main spectral features.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Finite element solution of low bond number sloshing

The dynamics of liquid propellant in a low Bond number environment which are critical to the design of spacecraft systems with respect to orbital propellant transfer and attitude control system were investigated. Digital computer programs were developed for the determination of liquid free surface equilibrium shape, lateral slosh natural vibration mode shapes, and frequencies for a liquid in a container of arbitrary axisymmetric shape with surface tension forces the same order of magnitude as acceleration forces. A finite volume element representation of the liquid was used for the vibration analysis. The liquid free surface equilibrium shapes were computed for several tanks at various contact angles and ullage volumes. A configuration was selected for vibration analysis and lateral slosh mode shapes and natural frequencies were obtained. Results are documented.

Wohlen, R. L.↗
NASA NTRS1979

Erosional processes in channelized water flows on Mars

A hypothesis is investigated according to which the Martian outflow channels were formed by high-velocity flows of water or dynamically similar liquid. It is suggested that the outflow channels are largely the result of several interacting erosional mechanisms, including fluvial processes involving ice covers, macroturbulence, streamlining, and cavitation.

Baker, V. R.↗
NASA NTRS1984

Space processing applications rocket project. SPAR 8

The Space Processing Applications Rocket Project (SPAR) VIII Final Report contains the engineering report prepared at the Marshall Space Flight Center (MSFC) as well as the three reports from the principal investigators. These reports also describe pertinent portions of ground-based research leading to the ultimate selection of the flight sample composition, including design, fabrication, and testing, all of which are expected to contribute immeasurably to an improved comprehension of materials processing in space. This technical memorandum is directed entirely to the payload manifest flown in the eighth of a series of SPAR flights conducted at the White Sands Missile Range (WSMR) and includes the experiments entitled Glass Formation Experiment SPAR 74-42/1R, Glass Fining Experiment in Low-Gravity SPAR 77-13/1, and Dynamics of Liquid Bubbles SPAR Experiment 77-18/2.

Chassay, R. P.↗
NASA NTRS1985

Fusion Target Technology

In order to produce the high quality spherical shells that are required, three parameters must be controlled accurately: the shell dimensions, shell sphericity and concentricity, and the surface topology of the shell. Attempts to conduct experiments on the dynamics of liquid bubbles (molten shells) in laboratories are limited by a strong coupling among the three parameters, time, gravity, and temperature. These limitations are circumvented and detailed study of each of the important processes is carried out through the use of low gravity environments collectively available in drop towers, in KC-135 flights, in a neutrally buoyant immiscible system, and in an acoustic levitation system.

Wang, T. G.↗
NASA NTRS1991

Analysis of radiative and phase-change phenomena with application to space-based thermal energy storage

The simplified geometry for the analysis is an infinite, axis symmetric annulus with a specified solar flux at the outer radius. The inner radius is either adiabatic (modeling Flight Experiment conditions), or convective (modeling Solar Dynamic conditions). Liquid LiF either contacts the outer wall (modeling ground based testing), or faces a void gap at the outer wall (modeling possible space based conditions). The analysis is presented in three parts: Part 3 considers and adiabatic inner wall and linearized radiation equations; part 2 adds effects of convection at the inner wall; and part 1 includes the effect of the void gap, as well as previous effects, and develops the radiation model further. The main results are the differences in melting behavior which can occur between ground based 1 g experiments and the microgravity flight experiments. Under 1 gravity, melted PCM will always contact the outer wall having the heat flux source, thus providing conductance from this source to the phase change front. In space based tests where a void gap may likely form during solidification, the situation is reversed; radiation is now the only mode of heat transfer and the majority of melting takes place from the inner wall.

Lund, Kurt O.↗
NASA NTRS1992

Tenth Workshop for Computational Fluid Dynamic Applications in Rocket Propulsion, part 1

Experimental and computational fluid dynamic activities in rocket propulsion were discussed. The workshop was an open meeting of government, industry, and academia. A broad number of topics were discussed including computational fluid dynamic methodology, liquid and solid rocket propulsion, turbomachinery, combustion, heat transfer, and grid generation.

R.W. Williams↗
NASA NTRS1993

Probing the microscopic corrugation of liquid surfaces with gas-liquid collisions

We have measured the directions and velocities of Ne, Ar, and Xe atoms scattering from perfluorinated ether and hydrocarbon liquids to probe the relationship between the microscopic roughness of liquid surfaces and gas-liquid collision dynamics. Impulsive energy transfer is governed by the angle of deflection: head-on encounters deposit more energy than grazing collisions. Many atoms scatter in the forward direction, particularly at glancing incidence. These results imply that the incoming atoms recoil locally from protruding C-H and C-F groups in hard spherelike collisions.

King, Mackenzie E.↗