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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A portable on-axis laser-heating system for near-90° X-ray spectroscopy: application to ferropericlase and iron silicide

A portable IR fiber laser-heating system, optimized for X-ray emission spectroscopy (XES) and nuclear inelastic scattering (NIS) spectroscopy with signal collection through the radial opening of diamond anvil cells near 90°with respect to the incident X-ray beam, is presented. The system offers double-sided on-axis heating by a single laser source and zero attenuation of incoming X-rays other than by the high-pressure environment. A description of the system, which has been tested for pressures above 100 GPa and temperatures up to 3000 K, is given. The XES spectra of laser-heated Mg 0.67 Fe 0.33 O demonstrate the potential to map the iron spin state in the pressure–temperature range of the Earth's lower mantle, and the NIS spectra of laser-heated FeSi give access to the sound velocity of this candidate of a phase inside the Earth's core. This portable system represents one of the few bridges across the gap between laser heating and high-resolution X-ray spectroscopies with signal collection near 90°.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Elastic and thermodynamic properties of cerium-doped yttrium aluminum garnets

Cerium-doped yttrium aluminum garnets (Y 3-x Ce x Al 5 O 12 , Ce:YAGs) are promising yellow light-emitting components of solid-state white light-emitting diodes. Although there have been numerous studies examining the effects of Ce concentrations on the luminescent properties of Y 3-x Ce x Al 5 O 12 , the impacts of Ce dopant on the elastic and thermodynamic properties are not well understood. In this work, we used resonant ultrasound spectroscopy (RUS) to determine the effects of Ce doping (0.025, 0.1, 1 at. %) on the elastic and thermodynamic properties of Y 3-x Ce x Al 5 O 12 . The elastic moduli calculated via the Voigt–Reuss–Hill (VRH) method demonstrated that low Ce dopant concentrations (≤0.1 at. %) induced negligible effects on the elasticity of the YAG host matrix, while a high Ce concentration (1 at. %) yielded significant softening. RUS spectral analysis and SEM images suggested that the elastic softening originated from microstructural differences induced at higher Ce dopant concentrations. Additionally, we demonstrated an increase in elastic anisotropy at higher Ce concentrations, which further elucidated the correlations between structure and elasticity of Y 3-x Ce x Al 5 O 12 . Debye temperatures ($θ_D$), heat capacities ($C_p$), and thermal conductivities ($\mathit{κ}$) were calculated for Ce:YAGs through the relations of RUS-derived parameters (sound velocities, elastic moduli) and previously determined thermal expansion coefficients. Ce:YAG was found to have a significant reduction in $θ_D$, Cp, and $\mathit{κ}$ at Ce concentrations ≥1 at. %. Lastly, extrapolation of $C_p$ and $\mathit{κ}$ to higher temperatures allowed the modeling of thermal stress experienced by Y 3-x Ce x Al 5 O 12 disks up to 1073.15 K.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Single-crystal elasticity of (Al,Fe)-bearing bridgmanite up to 82 GPa

Abstract Thermoelastic properties of mantle candidate minerals are essential to our understanding of geophysical phenomena, geochemistry, and geodynamic evolutions of the silicate Earth. However, the lower-mantle mineralogy remains much debated due to the lack of single-crystal elastic moduli (Cij) and aggregate sound velocities of (Al,Fe)-bearing bridgmanite, the most abundant mineral of the planet, at the lower mantle pressure-temperature (P-T) conditions. Here we report single-crystal Cij of (Al,Fe)-bearing bridgmanite, Mg0.88Fe0.1Al0.14Si0.90O3 (Fe10-Al14-Bgm) with Fe3+/ΣFe = ~0.65, up to ~82 GPa using X-ray diffraction (XRD), Brillouin light scattering (BLS), and impulsive stimulated light scattering (ISLS) measurements in diamond-anvil cells (DACs). Two crystal platelets with orientations of (–0.50, 0.05, –0.86) and (0.65, –0.59, 0.48), that are sensitive to deriving all nine Cij, are used for compressional and shear wave velocity (νP and νS) measurements as a function of azimuthal angles over 200° at each experimental pressure. Our results show that all Cij of singe-crystal Fe10-Al14-Bgm increase monotonically with pressure with small uncertainties of 1–2% (±1σ), except C55 and C23, which have uncertainties of 3–4%. Using the third-order Eulerian finite-strain equations to model the elasticity data yields the aggregate adiabatic bulk and shear moduli and respective pressure derivatives at the reference pressure of 25 GPa: KS = 326 ± 4 GPa, µ = 211 ± 2 GPa, KS′ = 3.32 ± 0.04, and µ′ = 1.66 ± 0.02 GPa. The high-pressure aggregate νS and νP of Fe10-Al14-Bgm are 2.6–3.5% and 3.1–4.7% lower than those of MgSiO3 bridgmanite end-member, respectively. These data are used with literature reports on bridgmanite with different Fe and Al contents to quantitatively evaluate pressure and compositional effects on their elastic properties. Comparing with one-dimensional seismic profiles, our modeled velocity profiles of major lower-mantle mineral assemblages at relevant P-T suggest that the lower mantle could likely consist of about 89 vol% (Al,Fe)-bearing bridgmanite. After considering uncertainties, our best-fit model is still indistinguishable from pyrolitic or chondritic models.

Geochemistry & Geophysics↗
DOE OSTI2021

Transmitted wave measurements in cold sprayed materials under dynamic compression

Spray-formed materials have complex microstructures which pose challenges for microscale and mesoscale modeling. To constrain these models, experimental measurements of wave profiles when subjecting the material to dynamic compression are necessary. The use of a gas gun to launch a shock into a material is a traditional method to understand wave propagation and provide information of time-dependent stress variations due to complex microstructures. This data contains information on wave reverberations within a material and provides a boundary condition for simulation. Here we present measurements of the wavespeed and wave profile at the rear surface of tantalum, niobium, and a tantalum/niobium blend subjected to plate impact. Measurements of the Hugoniot elastic limit are compared to previous work and wavespeeds are compared to longitudinal sound velocity measurements to examine wave damping due to the porous microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ultrasonic Characterization of Ethylene Vinyl Acetate (EVA) Crosslinking for Quality Assurance and Lamination Process Control (US-Xlink)

Module makers strive to cut lamination processing times to enhance production throughput and reduce costs. If overdone, this might lead to poor EVA quality due to incomplete EVA crosslinking and a large concentration of potentially harmful reactants. Those deficiencies are frequently missed during production quality testing as initially their impact on power output is small. Additionally, the crosslinking agent is frequently inhomogeneously dispersed across the EVA foils such that local destructive characterization procedures such as differential scanning calorimetry (DSC), Soxhlet extraction, swelling methods, or mechanical tests provide only a limited amount of information. However, these defects and inhomogeneities can become considerably more important during field operation, dramatically reducing long-term power yield, and increasing LCOE. Examples of typical long-term module degradation modes relating to poor lamination process conditions include cell breakage, corrosion of the metallization, delamination, and local quality deficiencies. To provide reliable material characterization in a manufacturing setting, we devised a non-destructive technology that uses ultrasound to evaluate the quality of interface adhesion and the degree of crosslinking. As a calibration reference, DSC measurements were employed. Although the potential of ultrasonic approaches for this purpose has already been noted, those previous methods were generally limited to local qualitative measurements. Furthermore, variations in EVA thickness and temperature had a substantial impact on them. The solution we propose solves these limitations by employing ultrasonic absorption rather than relying solely on sound velocity data.

14 SOLAR ENERGY↗
DOE OSTI2022

Vertical and Lateral Etch Survey of Ferroelectric AlN/Al 1-x Sc x N in Aqueous KOH Solutions

Due to their favorable electromechanical properties, such as high sound velocity, low dielectric permittivity and high electromechanical coupling, Aluminum Nitride (AlN) and Aluminum Scandium Nitride (Al 1-x Sc x N) thin films have achieved widespread application in radio frequency (RF) acoustic devices. The resistance to etching at high scandium alloying, however, has inhibited the realization of devices able to exploit the highest electromechanical coupling coefficients. In this work, we investigated the vertical and lateral etch rates of sputtered AlN and Al 1-x Sc x N with Sc concentration x ranging from 0 to 0.42 in aqueous potassium hydroxide (KOH). Etch rates and the sidewall angles were reported at different temperatures and KOH concentrations. We found that the trends of the etch rate were unanimous: while the vertical etch rate decreases with increasing Sc alloying, the lateral etch rate exhibits a V-shaped transition with a minimum etch rate at x = 0.125. By performing an etch on an 800 nm thick Al 0.875 Sc 0.125 N film with 10 wt% KOH at 65 °C for 20 min, a vertical sidewall was formed by exploiting the ratio of the {$10\overline{11}$ planes and {$1\overline{1}00$ planes etch rates. This method does not require preliminary processing and is potentially beneficial for the fabrication of lamb wave resonators (LWRs) or other microelectromechanical systems (MEMS) structures, laser mirrors and Ultraviolet Light-Emitting Diodes (UV-LEDs). It was demonstrated that the sidewall angle tracks the trajectory that follows the {$\overline{1}2\overline{12}$ of the hexagonal crystal structure when different c/a ratios were considered for elevated Sc alloying levels, which may be used as a convenient tool for structure/composition analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A Pedagogical Discussion of Quarkyonic Matter and Its Implication for Neutron Stars

This paper is a brief pedagogical review of the ideas that motivate the concept of Quarkyonic Matter. If N c is the number of quark colors, baryonic matter at very high density and low temperature remains confining to density scales of the order of N$3/2\atop{c}$ Λ$3\atop{QCD}$ that is parametrically larger than that of the QCD scale Λ$3\atop{QCD}$. This implies that a description of nuclear matter will involve both quark and confined degrees of freedom. I argue that the equation of state of Quarkyonic Matter should be very hard, and the sound velocity should rise very rapidly from its small value at nuclear matter densities to a value of the order of 1 at a few times nuclear matter density.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

ThermoPI—an Online Tool to Calculate Heat Transfer Through Foam Insulation

Thermal insulation materials with ultra-low effective thermal conductivity are crucial for a multitude of applications. Over the years, a significant amount of experimental work has been dedicated to creating new insulation materials with low thermal conductivity. Similarly, substantial efforts have been made to enhance the theoretical understanding of thermal transport mechanisms in thermal insulation materials and to push the boundaries of lower thermal conductivity. However, ample room remains for enhancing the thermal resistivity of closed-cell foam insulations. To aid in the development of ultra-low effective thermal conductivity foam insulations, Oak Ridge National Laboratory has introduced a unique online tool, ThermoPI. This tool calculates not only the effective thermal conductivity but also the thermal conductivity components for porous materials, including gases, solids, and radiative, based on the materials’ structural information (e.g., porosity, pore size, gas species, pressure, solid species, pore geometry, and temperature).This tool collected and improved the existing theoretical models for thermal insulation materials’ gas, solid, and radiative thermal conductivity. These improved models have been validated with experimental data. Effective medium theory and sound velocity softening effects are considered for solid thermal conductivity. The built-in solid materials include polystyrene, polyurethane, polyethylene, and silica. Users are allowed to input new solid materials that are not built inside the tool. For gas thermal conductivity, the subcontinuum Knudsen effect is considered. In addition to several built-in gases, users can input new gases. For solid and radiative thermal conductivity calculations, several models are available to select, and the tool can determine the best model to choose based on the materials that users input. Users are also allowed to change selections manually. In addition, the tool can also calculate the effect of interfacial resistance on the overall thermal conductivity of layered materials. This work will elaborate on the tool and discuss how it can guide the development of new insulation products.

Shrestha, Som [ORNL] (ORCID:0000000183993797)↗
DOE OSTI2021

Noble gas incorporation into silicate glasses: implications for planetary volatile storage

Incorporation of small molecules in silicate melts may provide an important mechanism for storing noble gases in the deep Earth, yet the means by which chemically inert noble gases enter and are retained in silica-based materials is not understood. High pressure, room temperature sound velocity measurements on silica and natural basalt glasses in different pressure-transmitting media reveal that neon enters the structure of silicate glasses and enhances their elastic strengths, whereas an ethanol-methanol mixture does not. Combined with literature data, we found the incorporation of small molecules into silica and basalt glasses is controlled by the void size distribution of the glass and size of the molecules. Pressure primarily reduces the size of noble gases, thereby increasing their solubilities in silicate melts and glasses.

58 GEOSCIENCES↗
DOE OSTI2021

Anomalous elastic behavior of tantalum at high pressures: Experimental and theoretical studies

Elastic wave velocities of polycrystalline tantalum have been measured up to 13.6 GPa at room temperature using ultrasonic interferometry technique in a multi-anvil apparatus. The bulk and shear moduli, as well as their pressure derivatives are obtained using Eulerian 3rd order finite strain equations, yielding K S0 = 193.9(29) GPa, G 0 = 69.3(10) GPa, K S0' = 3.18(5) and G 0' = 0.88(1). Here the Steinberg-Guinan yield stress model is examined using the current shear modulus and its pressure derivative, where a slightly lower A 0 = 0.0127 GPa –1 compared to previous studies is obtained. First-principles calculations on the elasticity of tantalum have also been performed up to 200 GPa. Anomalous softening of the elastic shear constant C 44 and shear wave velocity V S is observed between 80– 180 GPa, whereas the anisotropy shows a softening-stiffening behavior with increasing pressure and reaches a minimum at around 150 GPa. Such anomalies might commonly originate from the nesting of Fermi surface for Group VB metals.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Electronic Structure and Mechanical Properties of Solvated Montmorillonite Clay Using Large-Scale DFT Method

Montmorillonite clay (MMT) has been widely used in engineering and environmental applications as a landfill barrier and toxic waste repository due to its unique property as an expandable clay mineral that can absorb water easily. This absorption process rendered MMT to be highly exothermic due to electrostatic interactions among molecules and hydrogen bonds between surface atoms. A detailed study of a large supercell model of structural clay enables us to predict long-term nuclear waste storage. Herein, a large solvent MMT model with 4071 atoms is studied using ab initio density functional theory. The DFT calculation and analysis clarify the important issues, such as bond strength, solvation effect, elasticity, and seismic wave velocities. These results are compared to our previous study on crystalline MMT (dry). The solvated MMT has reduced shear modulus (G), bulk modulus (K), and Young’s modulus (E). We observe that the conduction band (CB) in the density of states (DOS) of solvated MMT model has a single, conspicuous peak at –8.5 eV. Moreover, the atom-resolved partial density of states (PDOS) summarizes the roles played by each atom in the DOS. These findings illuminate numerous potential sophisticated applications of MMT clay.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Speed of Sound Measurements of Binary Mixtures of trans -1,2-Difluoroethylene (R-1132(E)) with Difluoromethane (R-32) or 2,3,3,3-Tetrafluoropropene (R-1234yf)

The speed of sound of two binary mixtures containing 0.336 mole fraction trans-1,2- difluoroethylene (R-1132(E)) with difluoromethane (R-32) and 0.435 mole fraction R-1132(E) with 2,3,3,3-tetrafluoropropene (R-1234yf) were measured with a dual-path pulse-echo instrument. The speed of sound was measured along several pseudo-isochores for each blend at temperatures ranging from 230 K to 325 K for blends with R-32 and to 342 K for blends with R- 1234yf. Measurements started at pressures just above each mixtures bubble point pressure and were limited to 8 MPa to avoid potential disproportionation reactions of the R-1132(E). The data were compared to multi-fluid models incorporating Helmholtz-energy-explicit equations of state (EOS) for each pure fluid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Collective excitations of a bound-in-the-continuum condensate

Spectra of low-lying elementary excitations are critical to characterize properties of bosonic quantum fluids. Usually these spectra are difficult to observe, due to low occupation of non-condensate states compared to the ground state. Recently, low-threshold Bose-Einstein condensation was realised in a symmetry-protected bound state in the continuum, at a saddle point, thanks to coupling of this electromagnetic resonance to semiconductor excitons. While it has opened the door to long-living polariton condensates, their intrinsic collective properties are still unexplored. Here we unveil the peculiar features of the Bogoliubov spectrum of excitations in this system. Thanks to the dark nature of the bound-in-the-continuum state, collective excitations lying directly above the condensate become observable in enhanced detail. We reveal interesting aspects, such as energy-flat parts of the dispersion characterized by two parallel stripes in photoluminescence pattern, pronounced linearization at non-zero momenta in one of the directions, and a strongly anisotropic velocity of sound.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Sound speed measurements in shock compressed cemented tungsten carbide: Evolution of elastic moduli with damage at pressures to 100 GPa

The motivation of the present study is to gain insights into the evolution of elastic properties of cemented tungsten carbides (WC) shock compressed to 100 GPa. Seven plate impact experiments—two front surface impact and five release wave overtake—are conducted to make simultaneous measurements of Hugoniot states and longitudinal sound speeds in shocked WC with 3.7wt.% cobalt binder. The sound speeds along with estimates for bulk sound speeds, obtained using the Birch–Murnaghan EoS, are analyzed to determine the elastic moduli—longitudinal, bulk, and shear—as a function of Hugoniot stress. The longitudinal and bulk sound speeds at Hugoniot states of interest are found to increase linearly with longitudinal stress. Consistent with the increase in sound speeds, the longitudinal and bulk moduli also increase with Hugoniot stress; however, the increase in longitudinal modulus is modest when compared to predictions of theoretical models that account for pressure and temperature dependence of elastic moduli, but with no damage. The shear moduli remain nearly constant at ~318 GPa over the range of Hugoniot states investigated. These values are, however, much lower than those predicted by the Steinberg–Guinan model with no damage. Poisson’s ratio decreases initially from its ambient value of 0.208 to ~0.199 for Hugoniot stress ≤10 GPa indicating consolidation of the WC microstructure with low initial stress; however, with an increase in Hugoniot stress to ~100 GPa, Poisson’s ratio increases to ~0.317, indicating degradation of shear moduli with increasing stress. The product of density and Grüneisen parameter (ρΓ), after an initial spike, remains nearly constant for volumetric strains ≥0.07. The maximum average temperature rise is estimated to be ~286°C at the highest Hugoniot stress employed in the study.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Influence of hydrogenation on the vibrational density of states of magnetocaloric LaFe 11.4 Si 1.6 H 1.6

We report on the impact of magnetoelastic coupling on the magnetocaloric properties of LaFe 11.4 Si 1.6 H 1.6 in terms of the vibrational (phonon) density of states (VDOS), which we determined with 57 Fe nuclear resonant inelastic x-ray scattering (NRIXS) measurements and with density functional theory (DFT) based first-principles calculations in the ferromagnetic (FM) low-temperature and paramagnetic (PM) high-temperature phase. In experiments and calculations, we observe pronounced differences in the shape of the Fe-partial VDOS between nonhydrogenated and hydrogenated samples. Furthermore, this shows that hydrogen not only shifts the temperature of the first-order phase transition, but also affects the elastic response of the Fe subsystem significantly. In turn, the anomalous redshift of the Fe VDOS, observed by going to the low-volume PM phase, survives hydrogenation. As a consequence, the change in the Fe-specific vibrational entropy ΔS lat across the phase transition has the same sign as the magnetic and electronic contribution. DFT calculations show that the same mechanism, which is a consequence of the itinerant electron metamagnetism associated with the Fe subsystem, is effective in both the hydrogenated and the hydrogen-free compounds. Although reduced by 50% as compared to the hydrogen-free system, the measured change ΔS lat of 3.2 ± 1.9)J/ kg K across the FM-to-PM transition contributes with ~35 % significantly and cooperatively to the total isothermal entropy change ΔS iso . Hydrogenation is observed to induce an overall blueshift of the Fe VDOS with respect to the H-free compound; this effect, together with the enhanced Debye temperature observed, is a fingerprint of the hardening of the Fe sublattice by hydrogen incorporation. In addition, the mean Debye velocity of sound of LaFe 11.4 Si 1.6 H 1.6 was determined from the NRIXS and the DFT data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

The influence of Al2O3 on the structural properties of MgSiO3 akimotoite

Abstract Akimotoite, a MgSiO3 polymorph present in the lower transition zone within ultramafic portions of subducting slabs and potentially also in the ambient mantle, will partition some amount of Al, raising the question of how this will affect its crystal structure and properties. In this study, a series of samples along the MgSiO3-Al2O3 (akimotoite-corundum) solid solution have been investigated by means of single-crystal X-ray diffraction to examine their crystal chemistry. Results show a strong nonlinear behavior of the a- and c-axes as a function of Al content, which arises from fundamentally different accommodation mechanisms in the akimotoite and corundum structures. Furthermore, two Al2O3-bearing akimotoite samples were investigated at high pressure to determine the different compression mechanisms associated with Al substitution. Al2O3-bearing akimotoite becomes more compressible at least up to 20 mol% Al2O3, due likely to an increase in compressibility as the Al cation is incorporated into the SiO6 octahedron. This observation is in strong contrast to the stiffer corundum end-member having a KT = 250 GPa, which is larger than that of the akimotoite end-member [KT = 205(1) GPa]. These findings have implications for mineral physics models of elastic properties, which have in the past assumed linear mixing behavior between the MgSiO3 akimotoite and Al2O3 corundum end-members to calculate sound wave velocities for Al-bearing akimotoite at high pressure and temperature.

Geochemistry & Geophysics↗
DOE OSTI2024

Did we hear the sound of the Universe boiling? Analysis using the full fluid velocity profiles and NANOGrav 15-year data

Abstract In this paper, we analyse sound waves arising from a cosmic phase transition where the full velocity profile is taken into account as an explanation for the gravitational wave spectrum observed by multiple pulsar timing array groups. Unlike the broken power law used in the literature, in this scenario the power law after the peak depends on the macroscopic properties of the phase transition, allowing for a better fit with pulsar timing array (PTA) data. We compare the best fit with that obtained using the usual broken power law and, unsurprisingly, find a better fit with the gravitational wave (GW) spectrum that utilizes the full velocity profile. Even more importantly, the thermal parameters that produce the best fit are quite different. We then discuss models that can produce the best-fit point and complementary probes using CMB experiments and searches for light particles in DUNE, IceCUBE-Gen2, neutrinoless doubleβ-decay, and forward physics facilities (FPF) at the LHC like FASERν, etc.

Astronomy & Astrophysics↗
DOE OSTI2021

Directional amorphization of covalently-bonded solids: A generalized deformation mechanism in extreme loading

Shock compression subjects materials to a unique regime of high quasi-hydrostatic pressure and coupled shear stresses for durations on the order of 1–10 nanoseconds for laser-driven loading of samples. There is, additionally, an attendant temperature increase due to the shock and the mechanisms of plastic deformation in metals whereby dislocations, twins, and phase transitions nucleate and propagate at velocities near the sound speed. Covalently bonded materials have, by virtue of the directionality of their bonds, great difficulty in responding by conventional plastic deformation to this extreme regime of shock compression. Here, we propose that the shear from shock compression induces amorphization, as observed in Si, Ge, B4C, SiC, and olivine ((Mg, Fe) 2 SO 4 ) and that this is a general deformation mechanism in a broad class of covalently bonded materials. The crystalline structure transforms to amorphous along regions of maximum shear stress, forming nanoscale bands, and thereby relaxing the shear component of the imposed shock stress. This process is usually preceded by the emission and propagation of a critical concentration of dislocations.

36 MATERIALS SCIENCE↗