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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Pressure Induced Liquid-to-Liquid Transition in Zr-based Supercooled Melts and Pressure Quenched Glasses

Through high-energy x-ray diffraction and atomic pair density function analysis we find that Zr-based metallic alloy, heated to the supercooled liquid state under hydrostatic pressure and then quenched to room temperature, exhibits a distinct glassy structure. The PDF indicates that the Zr-Zr distances in this glass are significantly reduced compared to those quenched without pressure. Annealing at the glass transition temperature at ambient pressure reverses structural changes and the initial glassy state is recovered. This result suggests that pressure causes a liquid-to-liquid phase transition in this metallic alloy supercooled melt. Such a pressure induced transition is known for covalent liquids, but has not been observed for metallic liquids. The High Pressure Quenched glasses are stable in ambient conditions after decompression.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Recovery of MOF-5 from Extreme High-Pressure Conditions Facilitated by a Modern Pressure Transmitting Medium

Here mechanisms underlying the mechanically induced amorphization of metal-organic frameworks (MOFs) are of current interest, and both high-pressure experimentation and molecular dynamics simulations have been used to reveal the fundamentals of load bearing, deformation, and pressure-induced amorphization (PIA) in these highly porous materials. Unfortunately, MOFs are typically highly susceptibility to amorphization, which limits the conditions under which they can be processed and used. However, their flexible structures can be stabilized to high pressures by incorporating guest species into the framework matrix. In this study, a large molecule pressure transmitting medium (DAPHNE 7575 ) is used as a structure-fortifying guest species to stabilize the prototypical MOF -5 to ultra-high pressures ( >9 GPa) and enable the recovery of crystalline material upon decompression. Structural changes associated with the penetration of the pressure transmitting medium on compression are examined using a combination of high pressure synchrotron powder diffraction and molecular dynamics simulations. This work enhances the understanding of PIA in MOFs while showcasing a potential route for the stabilization of MOFs to surprisingly high-pressures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Imaging in 3D under pressure: a decade of high-pressure X-ray microtomography development at GSECARS

The high-pressure X-ray microtomography (HPXMT) apparatus has been operating at the GeoSoilEnviroCARS (GSECARS) bending magnet beamline at the Advanced Photon Source since 2005. By combining the powerful synchrotron X-ray source and fast switching between white (for X-ray diffraction) and monochromatic (for absorption imaging) modes, this technique provides the high-pressure community with a unique opportunity to image the three-dimensional volume, texture, and microstructure of materials under high pressure and temperature. The ability to shear the sample with unlimited strain by twisting the two opposed anvils in the apparatus allows shear deformation studies under extreme pressure and temperature to be performed. HPXMT is a powerful tool for studying the physical properties of both crystalline and non-crystalline materials under high pressure and high temperature. Over the past 10 years, continuous effort has been put into technical development, modifications to improve the overall performance, and additional probing techniques to meet users’ needs. Here in this paper, we present an up-to-date report on the HPXMT system, a brief review of some of its many exciting scientific applications, and a discussion of future developments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Melting of Magnesium Borohydride under High Hydrogen Pressure: Thermodynamic Stability and Effects of Nanoconfinement

The thermodynamic stability and melting point of magnesium borohydride were probed under hydrogen pressures up to 1000 bar (100 MPa) and temperatures up to 400 °C. At 400 °C, Mg(BH4)2 was found to be chemically stable between 700 and 1000 bar H2, whereas under 350 bar H2 or lower pressures, the bulk material partially decomposed into MgH2 and MgB12H12. The melting point of solvent-free Mg(BH4)2 was estimated to be 367-375 °C, which was above previously reported values by 40-90 °C. Our results indicated that a high hydrogen backpressure is needed to prevent the decomposition of Mg(BH4)2 before measuring the melting point and that molten Mg(BH4)2 can exist as a stable liquid phase between 367 and 400 °C under hydrogen overpressures of 700 bar or above. The occurrence of a pure molten Mg(BH4)2 phase enabled efficient melt-infiltration of Mg(BH4)2 into the pores of porous templated carbons (CMK-3 and CMK-8) and graphene aerogels. Both transmission electron microscopy and small-angle X-ray scattering confirmed efficient incorporation of the borohydride into the carbon pores. The Mg(BH4)2@carbon samples exhibited comparable hydrogen capacities to bulk Mg(BH4)2 upon desorption up to 390 °C based on the mass of the active component; the onset of hydrogen release was reduced by 15-25 °C compared to the bulk. Importantly, melt-infiltration under hydrogen pressure was shown to be an efficient way to introduce metal borohydrides into the pores of carbon-based materials, helping to prevent particle agglomeration and formation of stable closo-polyborate byproducts.

White, James L.↗
DOE OSTI2016

Hydrogen bond effects on compressional behavior of isotypic minerals: high-pressure polymorphism of cristobalite-like Be(OH) 2

Three isotypic crystals, SiO 2 (α-cristobalite), ε-Zn(OH) 2 (wülfingite), and Be(OH) 2 (β-behoite), with topologically identical frameworks of corner-connected tetrahedra, undergo displacive compression-driven phase transitions at similar pressures (1.5–2.0 GPa), but each transition is characterized by a different mechanism resulting in different structural modifications. In this study, we report the crystal structure of the high-pressure γ-phase of beryllium hydroxide and compare it with the high-pressure structures of the other two minerals. In Be(OH) 2 , the transition from the ambient β-behoite phase with the orthorhombic space group P2 1 2 1 2 1 and ambient unit cell parameters a = 4.5403(4) Å, b = 4.6253(5) Å, c = 7.0599(7) Å, to the high-pressure orthorhombic γ-polymorph with space group Fdd2 and unit cell parameters (at 5.3(1) GPa) a = 5.738(2) Å, b = 6.260(3) Å, c = 7.200(4) Å takes place between 1.7 and 3.6 GPa. This transition is essentially second order, is accompanied by a negligible volume discontinuity, and exhibits both displacive and reversible character. The mechanism of the phase transition results in a change to the hydrogen bond connectivities and rotation of the BeO 4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Evidence for strong enhancement of the magnetic ordering temperature of trivalent Nd metal under extreme pressure [Anomalous enhancement of the magnetic ordering temperature of trivalent Nd metal under extreme pressure: Possible Kondo lattice behavior]

Four-point electrical resistivity measurements were carried out on Nd metal and dilute magnetic alloys containing up to 1 at.% Nd in superconducting Y for temperatures 1.5–295 K under pressures to 210 GPa. The magnetic ordering temperature T o of Nd appears to rise steeply under pressure, increasing ninefold to 180 K at 70 GPa before falling rapidly. Y(Nd) alloys display both a resistivity minimum and superconducting pair breaking ΔT c as large as 38 K/at.% Nd. The present results give evidence that for pressures above 30–40 GPa, the exchange coupling J between Nd ions and conduction electrons becomes negative, thus activating Kondo physics in this highly correlated electron system. Furthermore, the rise and fall of T o and ΔT c with pressure can be accounted for in terms of an increase in the Kondo temperature.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Correlated structural and electronic phase transformations in transition metal chalcogenide under high pressure

Here, we report comprehensive studies on the high-pressure structural and electrical transport properties of the layered transition metal chalcogenide (Cr{sub 2}S{sub 3}) up to 36.3 GPa. A structural phase transition was observed in the rhombohedral Cr{sub 2}S{sub 3} near 16.5 GPa by the synchrotron angle dispersive X-ray diffraction measurement using a diamond anvil cell. Through in situ resistance measurement, the electric resistance value was detected to decrease by an order of three over the pressure range of 7–15 GPa coincided with the structural phase transition. Measurements on the temperature dependence of resistivity indicate that it is a semiconductor-to-metal transition in nature. The results were also confirmed by the electronic energy band calculations. Above results may shed a light on optimizing the performance of Cr{sub 2}S{sub 3} based applications under extreme conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Liebermannite, KAlSi3 O8 , a new shock-metamorphic, high-pressure mineral from the Zagami Martian meteorite

© The Meteoritical Society, 2017. In this paper, we discuss the occurrence of liebermannite (IMA 2013-128), KAlSi3O8, a new, shock-generated, high-pressure tetragonal hollandite-type structure silicate mineral, in the Zagami basaltic shergottite meteorite. Liebermannite crystallizes in space group I4/m with Z = 2, cell dimensions of a = 9.15 ± 0.14 (1σ) Å, c = 2.74 ± 0.13 Å, and a cell volume of 229 ± 19 Å3 (for the type material), as revealed by synchrotron diffraction. In Zagami, liebermannite likely formed via solid-state transformation of primary igneous K-feldspar during an impact event that achieved pressures of ~20 GPa or more. The mineral name is in honor of Robert C. Liebermann, a high-pressure mineral physicist at Stony Brook University, New York, USA.

Ma, Chi↗
DOE OSTI2021

The phase diagram of Ti-6Al-4V at high-pressures and high-temperatures

We report results from a series of diamond-anvil-cell synchrotron x-ray diffraction and large-volume-press experiments, and calculations, to investigate the phase diagram of commercial polycrystalline high-strength Ti-6Al-4V alloy in pressure–temperature space. Up to ~30 GPa and 886 K, Ti-6Al-4V is found to be stable in the hexagonal-close-packed, or α phase. The effect of temperature on the volume expansion and compressibility of α–Ti-6Al-4V is modest. The martensitic α → ω (hexagonal) transition occurs at ~30 GPa, with both phases coexisting until at ~38–40 GPa the transition to the ω phase is completed. Between 300 K and 844 K the α → ω transition appears to be independent of temperature. ω–Ti-6Al-4V is stable to ~91 GPa and 844 K, the highest combined pressure and temperature reached in these experiments. Pressure–volume–temperature equations-of-state for the α and ω phases of Ti-6Al-4V are generated and found to be similar to pure Ti. A pronounced hysteresis is observed in the ω–Ti-6Al-4V on decompression, with the hexagonal structure reverting back to the α phase at pressures below ~9 GPa at room temperature, and at a higher pressure at elevated temperatures. Based on our data, we estimate the Ti-6Al-4V α–β–ω triple point to occur at ~900 K and 30 GPa, in good agreement with our calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗