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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2011

Application of a new composite cubic-boron nitride gasket assembly for high pressure inelastic x-ray scattering studies of carbon related materials

We have developed a new composite cubic-boron nitride (c-BN) gasket assembly for high pressure diamond anvil cell studies, and applied it to inelastic x-ray scattering (IXS) studies of carbon related materials in order to maintain a larger sample thickness and avoid the interference from the diamond anvils. The gap size between the two diamond anvils remained {approx}80 {micro}m at 48.0 GPa with this new composite c-BN gasket assembly. The sample can be located at the center of the gap, {approx}20 {micro}m away from the surface of both diamond anvils, which provides ample distance to separate the sample signal from the diamond anvils. The high pressure IXS of a solvated C{sub 60} sample was studied up to 48 GPa, and a pressure induced bonding transition from sp{sup 2} to sp{sup 3} was observed at 27 GPa.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Equation of state of a high-pressure phase of Gd 3 Ga 5 O 12

Gd 3 Ga 5 O 12 (GGG), which crystallizes in the garnet structure at ambient conditions, was observed to transform to a high-pressure phase at 88 GPa after laser heating at 1500 K. This new phase is stable at least up to 180 GPa, and can be preserved on decompression to 50 GPa. This phase is cubic and consistent with a perovskite structure of stoichiometry (Gd 0.75 Ga 0.25 )GaO 3 . The zero-pressure bulk modulus, K 0 , obtained from fitting to a Birch-Murnaghan equation of state is 373(5) GPa with a fixed pressure derivative K' 0 =4. At 170 GPa, the bulk modulus of perovskite-type GGG is 979(15) GPa, which is comparable to that of diamond at the same pressure [956(21) GPa] and consistent with recently reported shock-compression data for Gd 3 Ga 5 O 12 . The new high-pressure phase of Gd 3 Ga 5 O 12 is thus highly incompressible.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Pressure-dependence of the phase transitions and thermal expansion in zirconium and hafnium pyrovanadate

Low or negative thermal expansion (NTE) has been previously observed in members of the ZrP{sub 2}O{sub 7} family at temperatures higher than their order-disorder phase transitions. The thermoelastic properties and phase behavior of the low temperature superstructure and high temperature negative thermal expansion phases of ZrV{sub 2}O{sub 7} and HfV{sub 2}O{sub 7} were explored via in situ variable temperature/pressure powder x-ray diffraction measurements. The phase transition temperatures of ZrV{sub 2}O{sub 7} and HfV{sub 2}O{sub 7} exhibited a very strong dependence on pressure (∼700 K GPa), with moderate compression suppressing the formation of their NTE phases below 513 K. Compression also reduced the magnitude of the coefficients of thermal expansion in both the positive and negative thermal expansion phases. Additionally, the high temperature NTE phase of ZrV{sub 2}O{sub 7} was found to be twice as stiff as the low temperature positive thermal expansion superstructure (24 and 12 GPa respectively). - Graphical abstract: The temperature at which ZrV{sub 2}O{sub 7} transforms to a phase displaying negative thermal expansion is strongly pressure dependent. The high temperature form of ZrV{sub 2}O{sub 7} is elastically stiffer than the low temperature form. - Highlights: • The order-disorder phase transition temperatures in ZrV{sub 2}O{sub 7} and HfV{sub 2}O{sub 7} are strongly pressure dependent (∼700 K.GPa). • The high temperature (disordered) phase of ZrV{sub 2}O{sub 7} is much stiffer than the ambient temperature (ordered) phase. • Compression reduces the magnitude of the negative thermal expansion in the high temperature phase of ZrV{sub 2}O{sub 7}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

The influence of pressure on the structure of a 2D uranium(VI) carboxyphosphonoate compound

We report the first quantitative analysis of the structural evolution of a uranyl bearing coordination polymer in response to pressure. The material that is central to this study, (UO{sub 2})(O{sub 3}PCH{sub 2}CO{sub 2}H) (1), is constructed from rigid 2D inorganic layers comprising edge sharing UO{sub 7} pentagonal bipyramids cross-linked by [PO{sub 3}(COOH)]{sup 2−} anions. Strong hydrogen bonding interactions exist between the pendent carboxylic acid groups on adjacent layers. Under pressure, 1 exhibits compressional behaviour primarily in the direction perpendicular to the inorganic layers, which is aided by a reduction in the interlayer distance and shifting of the layers with respect to each other. The bulk modulus for the 2D compound 1 is unexpectedly high [18.1(1) GPa] and is within the range reported for 3D CPs assembled from Zn{sup II} cations and inflexible imidazolate anions, and is at the lower end of the range of moduli observed for aluminosilicate zeolites (19–59 GPa). - Graphical Abstract: The compression mechanism and elastic constants for a 2D Uranium(VI) carboxyphosphonoate compound are reported. - Highlights: • The response to pressure of a uranium carboxyphosphonoate compound has been studied. • High-pressure single-crystal XRD data for this 2D uranium compound were collected. • Elastic constants for this material have been determined. • The compression mechanism for the compound has been elucidated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Study of liquid gallium at high pressure using synchrotron x-ray

Liquid gallium has been studied at high pressure up to 2 GPa and ambient temperature in a diamond anvil cell using high energy synchrotron x-ray beam. The total x-ray scattering data of liquid gallium were collected up to Q = 12 A{sup -1} and analyzed using pair distribution functions (PDF). The results indicate that the first nearest neighbor peak and second nearest neighbor (shoulder) peak of PDF in liquid gallium does not change with pressure, whereas the higher order (i.e., third and fourth) nearest neighbor peaks shift towards shorter distance with increasing pressure. Reverse Monte Carlo modeling based on the observed data shows that the coordination number in the liquid gallium increases with pressure from 10.5 at 0.3 GPa to 11.6 at 2 GPa. An atomic arrangement similar to the crystalline phase of Ga(II) with coordination number of 12 is proposed for the locally dense-packed rigid unit in liquid gallium. The volume compression data derived from the structure modeling yield a bulk modulus of 12.1(6) GPa for liquid gallium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Shape transition of unstrained flattest single-walled carbon nanotubes under pressure

Single walled carbon nanotube's (SWCNT's) cross section can be flattened under hydrostatic pressure. One example is the cross section of a single walled carbon nanotube successively deforms from the original round shape to oval shape, then to peanut-like shape. At the transition point of reversible deformation between convex shape and concave shape, the side wall of nanotube is flattest. This flattest tube has many attractive properties. In the present work, an approximate approach is developed to determine the equilibrium shape of this unstrained flattest tube and the curvature distribution of this tube. Our results are in good agreement with recent numerical results, and can be applied to the study of pressure controlled electric properties of single walled carbon nanotubes. The present method can also be used to study other deformed inorganic and organic tube-like structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗