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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Grain size dependent high-pressure elastic properties of ultrafine micro/nanocrystalline grossular

We have performed sound velocity and unit cell volume measurements of three synthetic, ultrafine micro/nanocrystalline grossular samples up to 50 GPa using Brillouin spectroscopy and synchrotron X-ray diffraction. The samples are characterized by average grain sizes of 90 nm, 93 nm and 179 nm (hereinafter referred to as samples Gr90, Gr93, and Gr179, respectively). The experimentally determined sound velocities and elastic properties of Gr179 sample are comparable with previous measurements, but slightly higher than those of Gr90 and Gr93 under ambient conditions. However, the differences diminish with increasing pressure, and the velocity crossover eventually takes place at approximately 20–30 GPa. The X-ray diffraction peaks of the ultrafine micro/nanocrystalline grossular samples significantly broaden between 15–40 GPa, especially for Gr179. The velocity or elasticity crossover observed at pressures over 30 GPa might be explained by different grain size reduction and/or inhomogeneous strain within the individual grains for the three grossular samples, which is supported by both the pressure-induced peak broadening observed in the X-ray diffraction experiments and transmission electron microscopy observations. The elastic behavior of ultrafine micro/nanocrystalline silicates, in this case, grossular, is both grain size and pressure dependent.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Raman scattering of rare earth sesquioxide Ho₂O₃: A pressure and temperature dependent study

Pressure and temperature dependent Raman scattering studies on Ho₂O₃ have been carried out to investigate the structural transition and the anharmonic behavior of the phonons. Ho₂O₃ undergoes a transition from cubic to monoclinic phase above 15.5 GPa, which is partially reversible on decompression. The anharmonic behavior of the phonon modes of Ho₂O₃ from 80 K to 440 K has been investigated. We find an anomalous line-width change with temperature. The mode Grüneisen parameter of bulk Ho₂O₃ was estimated from high pressure Raman investigation up to 29 GPa. Furthermore, the anharmonic components were calculated from the temperature dependent Raman scattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Implementation of new mixture rules has a substantial impact on combustion predictions for H 2 and NH 3

Complex-forming reactions comprise a substantial fraction of all important combustion reactions and are central to combustion behavior. Despite being often called “pressure-dependent” reactions, their rate constants depend on not only the pressure but also the composition. While modern combustion codes allow arbitrarily high accuracy in treating pressure dependence, recent work has consistently demonstrated dramatic failures of essentially all available treatments of mixture dependence. In situations where mixture dependence is treated at all, it is inevitably treated through specification of pressure-dependent rate constants for a set of pure bath gases, which are then combined to estimate the rate constant in a mixture via a “mixture rule.” While there had been a generally unquestioning confidence in these mixture rules, they had, in reality, been scarcely tested until the last decade, when comparisons against master equation calculations revealed order-of-magnitude errors for important pressure-dependent reactions. New mixture rules, based on the reduced pressure, have recently been proposed and shown to reproduce master equation calculations for broad classes of complex-forming reactions very accurately. Here, in this work, we present an implementation of one such new mixture rule (“LMR-R”) in Cantera and then use it to enable simulations that use new high-accuracy ab initio data for individual bath gases (for the first time, since codes previously could not accommodate the complex bath gas dependence). Demonstrations focus on combustion of H 2 and NH 3 , where (1) high-accuracy ab initio data are available and (2) the impact is expected to be large due to the high fractions of efficient colliders (e.g., H 2 O and NH 3 ) in the burned and unburned gases. Indeed, we find the impact of this treatment to be substantial and may explain previous modeling difficulties for these important carbon-free fuels, particularly for NH 3 , whose extraordinarily high third-body efficiency (~20) is often omitted from kinetic models.

Ammonia↗
DOE OSTI2014

Air damping of atomically thin MoS{sub 2} nanomechanical resonators

We report on experimental measurement of air damping effects in high frequency nanomembrane resonators made of atomically thin molybdenum disulfide (MoS{sub 2}) drumhead structures. Circular MoS{sub 2} nanomembranes with thickness of monolayer, few-layer, and multi-layer up to ∼70 nm (∼100 layers) exhibit intriguing pressure dependence of resonance characteristics. In completely covered drumheads, where there is no immediate equilibrium between the drum cavity and environment, resonance frequencies and quality (Q) factors strongly depend on environmental pressure due to bulging of the nanomembranes. In incompletely covered drumheads, strong frequency shifts due to compressing-cavity stiffening occur above ∼200 Torr. The pressure-dependent Q factors are limited by free molecule flow (FMF) damping, and all the mono-, bi-, and tri-layer devices exhibit lower FMF damping than thicker, conventional devices do.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2003

Composition Dependence of the Hydrostatic Pressure Coefficients of the Bandgap of ZnSe(1-x)Te(x) Alloys

Optical absorption experiments have been performed using diamond anvil cells to measure the hydrostatic pressure dependence of the fundamental bandgap of ZnSe(sub 1-xTe(sub x) alloys over the entire composition range. The first and second-order pressure coefficients are obtained as a function of composition. Starting from the ZnSe side, the magnitude of both coefficients increases slowly until x approx. 0.7, where the ambient-pressure bandgap reaches a minimum. For larger values of x the coefficients rapidly approach the values of ZnTe. The large deviations of the pressure coefficients from the linear interpolation between ZnSe and ZnTe are explained in terms of the band anticrossing model.

Wu, J.↗
DOE OSTI2015

DEPENDENCE OF THE SATURATION LEVEL OF MAGNETOROTATIONAL INSTABILITY ON GAS PRESSURE AND MAGNETIC PRANDTL NUMBER

A large set of numerical simulations of MHD turbulence induced by the magnetorotational instability is presented. Revisiting the previous survey conducted by Sano et al., we investigate the gas pressure dependence of the saturation level. In ideal MHD simulations, the gas pressure dependence is found to be very sensitive to the choice of numerical scheme. This is because the numerical magnetic Prandtl number varies according to the scheme as well as the pressure, which considerably affects the results. The saturation level is more sensitive to the numerical magnetic Prandtl number than the pressure. In MHD simulations with explicit viscosity and resistivity, the saturation level increases with the physical magnetic Prandtl number, and it is almost independent of the gas pressure when the magnetic Prandtl number is constant. This is indicative of the incompressible turbulence saturated by the secondary tearing instability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Dependence of the permittivity of direct gap semiconductors on hydrostatic pressure

The pressure dependence of permittivity χ of direct gap ZnO, CdTe, InSb, InAs, CdSnAs{sub 2}, and CdGeAs{sub 2} semiconductors in the hydrostatic pressure range from zero to 1 GPa is determined from the results of quantitative analysis of the pressure dependences of resistivity ρ(P) and Hall constant R{sub H}(P). It is found that the dielectric constant decreases upon an increase in pressure so that coefficient (dχ/d{sub P})/χ increases with (dE{sub g}/dP)/E{sub g}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Oil-Well Cement and C[subscript 3]S Hydration Under High Pressure as Seen by In Situ X-Ray Diffraction, Temperatures 80[degrees]C with No Additives

The hydration kinetics of a white cement and batches of both Class G and H oil-well cements were examined between 0 and 60 MPa, at {le}80 C, using in situ synchrotron X-ray diffraction. This gives a continuous measure of the C{sub 3}S (Ca{sub 3}SiO{sub 5}), CH (Ca(OH){sub 2}), C{sub 4}AF (Ca{sub 2}FeAlO{sub 5}), ettringite, and other phases in the hydrating slurries. Slurries prepared from single-phase C{sub 3}S; synthetic C{sub 4}AF, and gypsum; and white cement, synthetic C{sub 4}AF and gypsum were also examined. An increasing pressure enhanced the rate of hydration for all slurries. Analysis of the data, using a kinetic model, provided rate constants that were used to obtain activation volumes for C{sub 3}S hydration. For all the cement and C{sub 3}S slurries studied, similar activation volumes were obtained (average {Delta}{double_dagger}{approx}-35 cm{sup 3}/mol), indicating that the presence of cement phases other than C{sub 3}S has a modest influence on the pressure dependence of C{sub 3}S hydration. An alternative analysis, using the time at which 90% of the initial C{sub 3}S remained, gave similar activation volumes. Pressure accelerated the formation of ettringite from synthetic C{sub 4}AF in the presence of gypsum. However, in slurries containing cement, the pressure dependence of C{sub 3}S hydration plays a major role in determining the pressure dependence of ettringite formation.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Dependence on pressure of the refractive indices of wurtzite ZnO, GaN, and AlN

We have measured both the ordinary and extraordinary refractive index of m-plane cuts of wurtzite ZnO, GaN, and AlN single crystals at room temperature and as a function of hydrostatic pressure up to 8 GPa. For that purpose we have developed an alternative optical interference method, called bisected-beam method, which leads, in general, to high contrast interference fringes. Its main feature, however, is to be particularly suitable for high pressure experiments with the diamond anvil cell, when the refractive index of the sample is low and similar to that of diamond and/or the pressure transmitting medium, as is the case here. For all three wide-gap materials we observe a monotonous decrease of the ordinary and extraordinary refractive indices with increasing pressure, being most pronounced for GaN, less marked for ZnO, and the smallest for AlN. The frequency dependence of the refractive indices was extrapolated to zero energy using a critical-point-plus-Lorentz-oscillator model of the ordinary and extraordinary dielectric function. In this way, we determined the variation with pressure of the electronic part (no-phonon contribution) of the static dielectric constant epsilon(infinity). Its volume derivative, r = d ln epsilon(infinity)/d ln V, serves as single scaling coefficient for comparison with experimental and/or theoretical results for other semiconductors, regarding the pressure effects on the dielectric properties. We have obtained an ordinary/extraordinary average value (r) over bar of 0.49(15) for ZnO, 1.22(9) for GaN, and 0.32(4) for AlN. With the values for the ordinary and extraordinary case being within experimental uncertainty, there is thus no apparent change in dielectric anisotropy under pressure for these wurtzite semiconductors. Results are discussed in terms of the pressure-dependent electronic band structure of the materials.

Goni, AR↗