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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Recovery of hexagonal Si-IV nanowires from extreme GPa pressure

We use Raman spectroscopy in tandem with transmission electron microscopy and density functional theory simulations to show that extreme (GPa) pressure converts the phase of silicon nanowires from cubic (Si-I) to hexagonal (Si-IV) while preserving the nanowire's cylindrical morphology. In situ Raman scattering of the longitudinal transverse optical (LTO) mode demonstrates the high-pressure Si-I to Si-II phase transition near 9 GPa. Raman signal of the LTO phonon shows a decrease in intensity in the range of 9–14 GPa. Then, at 17 GPa, it is no longer detectable, indicating a second phase change (Si-II to Si-V) in the 14–17 GPa range. Recovery of exotic phases in individual silicon nanowires from diamond anvil cell experiments reaching 17 GPa is also shown. Raman measurements indicate Si-IV as the dominant phase in pressurized nanowires after decompression. Transmission electron microscopy and electron diffraction confirm crystalline Si-IV domains in individual nanowires. Computational electromagnetic simulations suggest that heating from the Raman laser probe is negligible and that near-hydrostatic pressure is the primary driving force for the formation of hexagonal silicon nanowires.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Pressure-induced structural transformation of CaC{sub 2}

The high pressure structural changes of calcium carbide CaC{sub 2} have been investigated with Raman spectroscopy and synchrotron X-ray diffraction (XRD) techniques in a diamond anvil cell at room temperature. At ambient conditions, two forms of CaC{sub 2} co-exist. Above 4.9 GPa, monoclinic CaC{sub 2}-II diminished indicating the structural phase transition from CaC{sub 2}-II to CaC{sub 2}-I. At about 7.0 GPa, both XRD patterns and Raman spectra confirmed that CaC{sub 2}-I transforms into a metallic Cmcm structure which contains polymeric carbon chains. Along with the phase transition, the isolated C{sub 2} dumbbells are polymerized into zigzag chains resulting in a large volume collapse with 22.4%. Above 30.0 GPa, the XRD patterns of CaC{sub 2} become featureless and remain featureless upon decompression, suggesting an irreversible amorphization of CaC{sub 2}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Continuum kinetic and multi-fluid simulations of classical sheaths

The kinetic study of plasma sheaths is critical, among other things, to understand the deposition of heat on walls, the effect of sputtering, and contamination of the plasma with detrimental impurities. The plasma sheath also provides a boundary condition and can often have a significant global impact on the bulk plasma. In this paper, kinetic studies of classical sheaths are performed with the continuum kinetic code, Gkeyll, which directly solves the Vlasov-Maxwell equations. The code uses a novel version of the finite-element discontinuous Galerkin scheme that conserves energy in the continuous-time limit. The fields are computed using Maxwell equations. Ionization and scattering collisions are included; however, surface effects are neglected. The aim of this work is to introduce the continuum kinetic method and compare its results with those obtained from an already established finite-volume multi-fluid model also implemented in Gkeyll. Novel boundary conditions on the fluids allow the sheath to form without specifying wall fluxes, so the fluids and fields adjust self-consistently at the wall. Our work demonstrates that the kinetic and fluid results are in agreement for the momentum flux, showing that in certain regimes, a multifluid model can be a useful approximation for simulating the plasma boundary. There are differences in the electrostatic potential between the fluid and kinetic results. Further, the direct solutions of the distribution function presented here highlight the non-Maxwellian distribution of electrons in the sheath, emphasizing the need for a kinetic model. The densities, velocities, and the potential show a good agreement between the kinetic and fluid results. But, kinetic physics is highlighted through higher moments such as parallel and perpendicular temperatures which provide significant differences from the fluid results in which the temperature is assumed to be isotropic. Besides decompression cooling, the heat flux is shown to play a role in the temperature differences that are observed, especially inside the collisionless sheath. Published by AIP Publishing.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Thermal stability of simple tetragonal and hexagonal diamond germanium

Here, exotic phases of germanium, that form under high pressure but persist under ambient conditions, are of technological interest due to their unique optical and electrical properties. The thermal evolution and stability of two of these exotic Ge phases, the simple tetragonal (st12) and hexagonal diamond (hd) phases, are investigated in detail. These metastable phases, formed by high pressure decompression in either a diamond anvil cell or by nanoindentation, are annealed at temperatures ranging from 280 to 320 °C for st12-Ge and 200 to 550 °C for hd-Ge. In both cases, the exotic phases originated from entirely pure Ge precursor materials. Raman microspectroscopy is used to monitor the phase changes ex situ following annealing. Our results show that hd-Ge synthesized via a pure form of a-Ge first undergoes a subtle change in structure and then an irreversible phase transformation to dc-Ge with an activation energy of (4.3 ± 0.2) eV at higher temperatures. St12-Ge was found to transform to dc-Ge with an activation energy of (1.44 ± 0.08) eV. Taken together with results from previous studies, this study allows for intriguing comparisons with silicon and suggests promising technological applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Transformation of hydrazinium azide to molecular N 8 at 40 GPa

Hydrazinium azide (HA) has been investigated at high pressures to 68 GPa using confocal micro-Raman spectroscopy and synchrotron powder x-ray diffraction. The results show that HA undergoes structural phase transitions from solid HA-I to HA-II at 13 GPa, associated with the strengthening of hydrogen bonding, and then to N 8 at 40 GPa. The transformation of HA to recently predicted N 8 (N≡N + —N–—N=N—–N—+N≡N) is evident by the emergence of new peaks at 2384 cm –1 , 1665 cm –1 , and 1165 cm –1 , arising from the terminal N≡N stretching, the central N=N stretching, and the N—N stretching, respectively. Furthermore, upon decompression, N 8 decomposes to ε-N 2 below 25 GPa, but the remnant can be seen as low as 3 GPa.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Pressure-induced polymorphism and piezochromism in Mn 2 FeSbO 6

In the last decade, major efforts have been devoted to searching for polar magnets due to their vast potential applications in spintronic devices. However, the polar magnets are rare because of conflicting electronic configuration requirements of ferromagnetism and electric polarization. Double-perovskite oxides with a polar structure containing transition metal elements represent excellent candidates for the polar magnet design. In this work, the crystal structure evolution of Mn 2 FeSbO 6 (MFSO) was investigated at pressures reaching ~50 GPa by in situ synchrotron X-ray diffraction (XRD), Raman scattering, and ab initio calculation techniques. The XRD results reveal ilmenite- to perovskite-type phase transition at around 35 GPa. An additional intermediate phase, observed in the range of 31–36 GPa by Raman spectroscopy, but not the XRD technique, is proposed to represent the polar LiNbO 3 phase. It is argued that this phase emerged due to the heating effect of the Raman-excitation laser. The LiNbO 3 -type MFSO compounds, displaying an intrinsic dipole ordering, represent a promising candidate for multiferroic materials. The detected phase transitions were found to be reversible although a significant hysteresis was noticeable between compression and decompression runs. Moreover, a pressure-induced piezochromism, signifying a bandgap change, was discovered by the direct visual observations and corroborated by ab initio calculations. The present study benefits an efficient high-pressure synthesis of polar magnetic double-perovskite oxides in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tuning to more compressible phase in TiZrHfNb high entropy alloy by pressure

In this work, the starting nominal Ti 25 Zr 25 Hf 25 Nb 25 high entropy alloy (HEA) has two body centered cubic (BCC) phases with a volume percentage about 100:1, with the primary phase having a much larger bulk modulus (incompressible) than the uniform single-phase HEA. We found that these two phases merged into one single BCC phase at pressures beyond 36 GPa, whose bulk modulus dropped to that of the normal homogeneous HEA. After decompressing, the new phase can be sustained to ambient conditions. We note this abnormal pressure-induced softening was largely related to the lattice distortion evolution and interfacial energy during compression.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Vortex-sheet modeling of hydrodynamic instabilities produced by an oblique shock interacting with a perturbed interface in the HED regime

In this work, we consider hydrodynamic instabilities produced by the interaction of an oblique shock with a perturbed material interface under high-energy-density (HED) conditions. During this interaction, a baroclinic torque is generated along the interface due to the misalignment between the density and pressure gradients, thus leading to perturbation growth. Our objective is to understand the competition between the impulsive acceleration due to the normal component of the shock velocity, which drives the Richtmyer–Meshkov instability, and the shear flow across the interface due to the tangential component of the shock velocity, which drives the Kelvin–Helmholtz instability, as well as its relation to perturbation growth. Since the vorticity resulting from the shock-interface interaction is confined to the interface, we describe the perturbation growth using a two-dimensional vortex-sheet model. We demonstrate the ability of the vortex-sheet model to reproduce roll-up dynamics for non-zero Atwood numbers by comparing to past laser-driven HED experiments. We determine the dependence of the interface dynamics on the tilt angle and propose a time scaling for the perturbation growth at early time. Eventually, this scaling will serve as a platform for the design of future experiments. This study is the first attempt to incorporate into a vortex-sheet model the time-dependent interface decompression and the deceleration (as well as the corresponding Rayleigh–Taylor instability) arising from laser turn-off.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Impact of areal-density asymmetries on the loss of confinement and ignition threshold in inertial confinement fusion capsules

In inertial confinement fusion implosion experiments, variations in the shell areal density reduce the shell’s inertia to confine the core pressure. Distorted capsules with large areal-density modulations decompress faster than uniform capsules in the disassembly phase. A simple 3-D analytic hot-spot model is derived to include the effects of low-mode areal-density modulations in the ignition criterion. The generalized 3-D ignition criterion for low modes is shown to depend on both the harmonic mean and the arithmetic mean of the areal density. Here, the “thin spots” in the shell are shown to dominate the loss of confinement as reflected by the harmonic mean definition of areal densities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Inferences of hot electron preheat and its spatial distribution in OMEGA direct drive implosions

Hot electrons generated from laser plasma instabilities degrade performance of direct drive implosions by preheating the deuterium and tritium (DT) fuel resulting in early decompression and lower areal densities at stagnation. A technique to quantify the hot electron preheat of the dense DT fuel and connect it to the degradation in areal density is described in detail. Hot electrons are measured primarily from the hard x-rays they emit as they slow down in the target. The DT preheat is inferred from a comparison of the hard x-ray signals between a DT-layered implosion and its mass equivalent ablator only implosion. The preheat energy spatial distribution within the imploding shell is inferred from experiments using high Z payloads of varying thicknesses. It is found that the electrons deposit their energy uniformly throughout the shell material. For typical direct-drive OMEGA implosions driven with an overlapped intensity of ∼9·1014 W/cm2, approximately ∼0.02%–0.03% of the laser energy is converted into preheat of the stagnated fuel which corresponds to areal density degradations of 10%–20%. The degradations in areal density explain some of the observed discrepancies between the simulated and measured areal densities.

Christopherson, A. R. (ORCID:000000033578635X)↗
DOE OSTI2023

Externally Heated Diamond ANvil Cell Experimentation (EH-DANCE) for studying materials and processes under extreme conditions

Externally heated diamond anvil cells provide a stable and uniform thermal environment, making them a versatile device to simultaneously generate high-pressure and high-temperature conditions in various fields of research, such as condensed matter physics, materials science, chemistry, and geosciences. The present study features the Externally Heated Diamond ANvil Cell Experimentation (EH-DANCE) system, a versatile configuration consisting of a diamond anvil cell with a customized microheater for stable resistive heating, bidirectional pressure control facilitated by compression and decompression membranes, and a water-cooled enclosure suitable for vacuum and controlled atmospheres. This integrated system excels with its precise control of both pressure and temperature for mineral and materials science research under extreme conditions. Here, we showcase the capabilities of the system through its successful application in the investigation of the melting temperature and thermal equation of state of high-pressure ice-VII at temperatures up to 1400 K. The system was also used to measure the elastic properties of solid ice-VII and liquid H 2 O using Brillouin scattering and Raman spectra of carbonates using Raman spectroscopy, highlighting the potential of the EH-DANCE system in high-pressure research.

Instruments & Instrumentation↗
DOE OSTI2018

Physical and hydraulic forces experienced by fish passing through three different low-head hydropower turbines

Knowing the kinds of physical stress experienced by fish passing through hydropower turbines can help optimise technologies and improve fish passage. This paper assesses the hydraulic conditions experienced through three different low-head turbines (a very low head (VLH), Archimedes screw and horizontal Kaplan turbine), taken using an autonomous sensor. In total, 127 Sensor Fish deployments were undertaken across all three turbines, generating 82 valid datasets. Decompression was rare at the VLH and screw turbines and rarely fell more than 10kPa below atmospheric pressure. In contrast, the Kaplan was capable of generating pressures as low as 55.5kPa (~45kPa below atmospheric pressure), over shorter periods of time. More severe ratios of pressure changes could, therefore, be expected for both surface- and depth-acclimated fish at the Kaplan than at the other turbines. Strike was another possible source of fish injury (detected in 69–100% of deployments), and although strike severity was highest at the Kaplan, strike was more likely to be encountered at the screw and VLH than the Kaplan turbine. Shear occurred only near the blades of the Kaplan, and not at severe levels. The results demonstrated that low-head hydropower facilities are not without their risks for downstream migrating fish.

Boys, Craig A. (ORCID:0000000264342937)↗
DOE OSTI2018

Injury and mortality of two Mekong River species exposed to turbulent shear forces

Global hydropower development is one solution proposed to address the increase in energy needs. However, hydropower-related impacts on riverine ecological systems are not well understood. The Mekong River Basin (MRB) is one of the world’s largest waterways and is presently experiencing significant hydropower expansion. It is also one of the most biodiverse rivers; serving as home to many species that are blocked or hindered by the development of dams. One source of injury and mortality for downstream moving fishes is passage through the turbine environment where fishes may be exposed to several physical stressors (e.g. shear forces, rapid decompression, blade strike and turbulence). The current study sought to understand the susceptibility of blue gourami ( Trichopodus trichopterus ) and iridescent shark ( Pangasianodon hypophthalmus ) to shear forces. Fishes were exposed to an underwater jet with velocities up to 21.3 m s –1 (equating to strain rates of up to 1185 s –1 ) and were assessed for behavioural effects, injuries and mortality. Overall, it was determined that both species were susceptible to the shear forces applied in this study and the effects were more pronounced at higher strain rates. Gouramis were more susceptible than sharks. Furthermore to minimise impacts on these species, shear forces within turbines should not exceed critical limits.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Giant elastocaloric effect at low temperatures in TmVO 4 and implications for cryogenic cooling

Adiabatic decompression of paraquadrupolar materials has significant potential as a cryogenic cooling technology. We focus on TmVO 4 , an archetypal material that undergoes a continuous phase transition to a ferroquadrupole-ordered state at 2.15 K. Above the phase transition, each Tm ion contributes an entropy of k B ln 2 due to the degeneracy of the crystal electric field groundstate. Owing to the large magnetoelastic coupling, which is a prerequisite for a material to undergo a phase transition via the cooperative Jahn–Teller effect, this level splitting, and hence the entropy, can be readily tuned by externally induced strain. Using a dynamic technique in which the strain is rapidly oscillated, we measure the adiabatic elastocaloric response of single-crystal TmVO 4 , and thus experimentally obtain the entropy landscape as a function of strain and temperature. The measurement confirms the suitability of this class of materials for cryogenic cooling applications and provides insight into the dynamic quadrupole strain susceptibility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

High pressure studies using two-stage diamond micro-anvils grown by chemical vapor deposition

Ultra-high static pressures have been achieved in the laboratory using a two-stage micro-ball nanodiamond anvils as well as a two-stage micro-paired diamond anvils machined using a focused ion-beam system. The two-stage diamond anvils’ designs implemented thus far suffer from a limitation of one diamond anvil sliding past another anvil at extreme conditions. We describe a new method of fabricating two-stage diamond micro-anvils using a tungsten mask on a standard diamond anvil followed by microwave plasma chemical vapor deposition (CVD) homoepitaxial diamond growth. A prototype two stage diamond anvil with 300 μm culet and with a CVD diamond second stage of 50 μm in diameter was fabricated. We have carried out preliminary high pressure X-ray diffraction studies on a sample of rare-earth metal lutetium sample with a copper pressure standard to 86 GPa. Furthermore, the micro-anvil grown by CVD remained intact during indentation of gasket as well as on decompression from the highest pressure of 86 GPa.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simultaneous compression of NaCl, Au, and ruby: toward mutually consistent pressure scales

Here, we evaluate pressure consistency of equations of state (EOS) for NaCl and Au at 300 K. The simultaneous measurements of unit-cell volumes (V) with ruby R1 line shifts (Δλ) in a helium (He) loaded diamond cell effectively remove potential systematic errors. Compression and decompression data were automatically collected at 1 sec interval, yielding a dense dataset with >8,000 (V, Δλ) pairs each for NaCl and Au. Solidification of He has noticeable effects on both V and Delta lambda (hence P). Only data up to similar to 14 GPa, or 6000 (V, P) pairs, can be considered hydrostatic within the resolution. The P-V data are fitted to the Rydberg-Vinet and the 3 rd order Birch-Murnaghan EOS. Predicted pressures of these EOSs agree with those given by the Ruby2020 ruby scale to within +/- 0.05 GPa. Overall, pressures predicted by the Rydberg-Vinet EOS are in better agreement with the average of commonly used NaCl and Au pressure scales.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2014

Particle energization during solar maximum: Diffusive shock acceleration at multiple shocks

We present a model for the acceleration of particles at multiple shocks using an approach related to box models. A distribution of particles is diffusively accelerated inside the box while simultaneously experiencing decompression through adiabatic expansion and losses from the convection and diffusion of particles out of the box by either the method used in Melrose and Pope and Pope and Melrose or by the approach introduced in Zank et al. where we solve the transport equation by a method analogous to operator splitting. The second method incorporates the additional loss terms of convection and diffusion and allows for the use of a variable time between shocks. We use a maximum injection energy (E{sub max}) appropriate for quasi-parallel and quasi-perpendicular shocks. We provide a preliminary application of the diffusive acceleration of particles by multiple shocks with frequencies appropriate for solar maximum.

79 ASTRONOMY AND ASTROPHYSICS↗