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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Reactions of butadiyne. 1: The reaction with hydrogen atoms

The reaction of hydrogen (H) atoms with butadiene (C4H2) was studied at room temperature in a pressure range between w mbar and 10 mbar. The primary step was an addition of H to C4H2 which is in its high pressure range at p 1 mbar. Under these conditions the following addition of a second H atom lies in the transition region between low and high pressure range. Vibrationally excited C4H4 can be deactivated to form buten-(1)-yne-(3)(C4H4) or decomposes into two C2H2 molecules. The rate constant at room temperature for primary step is given. The second order rate constant for the consumption of buten-(1)-yne-(3) is an H atom excess at room temperature is given.

Schwanebeck, W.↗
DOE OSTI2017

A molecular dynamics investigation of hydrostatic compression characteristics of mineral Jennite

This paper focuses on the study of mechanical behavior and deformation of mineral Jennite, under isothermal hydrostatic compression using Molecular Dynamics (MD) modeling. Atomistic structure of mineral Jennite is considered as a choice for representing calcium silicate hydrate (C-S-H), a key constituent in hydrated cement paste. The present work focuses and presents a molecular dynamics simulation approach to ascertain hydrostatic compression characteristics of mineral Jennite. The pressure–specific volume, and specific internal energy–specific volume relationships under isothermal hydrostatic compression conditions were determined. For the pressures ranging from 0.0001 GPa to 5 GPa, computational modeling results indicated that a linear relationship may be sufficient when describing the pressure–specific volume relationship. The results obtained in this study compared well with experimental and theoretical results recently published by other researchers. Additionally, a quadratic function was found to be appropriate to describe the specific energy–specific volume relationship, for the same pressure range used for studying the pressure–specific volume relationship. The pressure–specific volume, and specific internal energy-specific volume relationships reported in this paper are useful for further estimation of pressure–specific volume constitutive Hugoniot of the nanoscale mineral Jennite. Additionally, MD approach discussed and presented in this paper can be applied to understand hydrostatic compression behavior and deformation characteristics of other atomistic structures representing C-S-H. Further, the computational material modeling approach discussed in this paper provides an alternative methodology that can aid in the understanding of the deformation mechanisms and developing constitutive relationships from atomistic structures of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Isosymmetric pressure-induced bonding increase changes compression behavior of clinopyroxenes across jadeite-aegirine solid solution in subduction zones

Pyroxenes are among the most important minerals of Earth's crust and upper mantle and play significant role in controlling subduction at convergent margins. In this study, synchrotron-based single-crystal X-ray diffraction experiments were carried out on a natural aegirine [NaFe 3+ Si 2 O 6 ] sample at ambient temperature and high pressures to 60 GPa, simulating conditions within the coldest part of a subduction zone consisting of old lithosphere. The diffraction data reveal no obvious sign of structural phase transition in aegirine within this pressure range; however, several relevant structural parameter trends change noticeably at approximately 24 GPa, indicating the presence of the previously predicted isosymmetric bonding change, related to increase of coordination number of Na + at M2 site. The pressure-volume data, fit with third-order Birch-Murnaghan (BM3) equation of state over the whole pressure range, yields K T0 = 126(2) GPa and K' T0 = 3.3(1), while separate BM3 fits performed for the 0–24.0 GPa and 29.9–60.4 GPa pressure ranges give K T0 = 118(3) GPa, K' T0 = 4.2(3) and K T0 = 133(2) GPa, K' T0 = 3.0(1), suggesting that the structure stiffens as a result of the new bond formation. Aegirine exhibits strong anisotropic compression with unit strain axial ratios ε 1 :ε 2 :ε 3 = 1.00:2.44:1.64. Structural refinements reveal that NaO 8 polyhedron is the most compressible and SiO 4 tetrahedron has the lowest compressibility. Lastly, the consequence of bonding transition is that the compressional behavior of aegirine below ~24 GPa and above that pressure is quite different, with likely consequences for relevant thermodynamic parameters and ion diffusion coefficients.

58 GEOSCIENCES↗
DOE OSTI2016

Ultrafast laser produced zinc plasma: Stark broadening of emission lines in nitrogen ambient

The effect of ambient pressure on Stark broadening of emission lines from neutrals and ions in an ultrafast laser (100 fs, 800 nm) produced zinc plasma is investigated. Measured spectra reveal that the full width at half maximum (δλ) of neutral lines remains unchanged in the pressure range of 10{sup −6} to 10{sup −1 }Torr, shows an even fluctuation in the pressure range of 0.1 to 100 Torr, and then increases with pressure. On the other hand, δλ of ion lines is nearly a constant from 10{sup −6} to 10{sup −3 }Torr, and then increases consistently with ambient pressure. A line narrowing of neutral emissions observed in the region of 1 to 100 Torr can be attributed to larger plasma temperatures, whereas the consistent increase in δλ with pressure seen for ion emission results from the prevalence of additional broadening mechanisms related to Coulomb interactions, ion-ion interaction, and Debye shielding. An accurate knowledge of emission line width is crucial for unambiguously calculating number density values for any given ambient pressure. Moreover, it can be relevant for the design of narrow line width, bright plasma sources for various applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

High-precision measurements of the compressibility and the electrical resistivity of bulk g-As{sub 2}Te{sub 3} glasses at a hydrostatic pressure up to 8.5 GPa

High-precision studies of the volume and the electrical resistivity of g-As{sub 2}Te{sub 3} glasses at a high hydrostatic pressure up to 8.5 GPa at room temperature are performed. The glasses exhibit elastic behavior in compression only at a pressure up to 1 GPa, and a diffuse structural transformation and inelastic density relaxation (logarithmic in time) begin at higher pressures. When the pressure increases further, the relaxation rate passes through a sharp maximum at 2.5 GPa, which is accompanied by softening the relaxing bulk modulus, and then decreases, being noticeable up to the maximum pressure. When pressure is relieved, an unusual inflection point is observed in the baric dependence of the bulk modulus near 4 GPa. The polyamorphic transformation is only partly reversible and the residual densification after pressure release is 2%. In compression, the electrical resistivity of the g-As{sub 2}Te{sub 3} glasses decreases exponentially with increasing pressure (at a pressure up to 2 GPa); then, it decreases faster by almost three orders of magnitude in the pressure range 2–3.5 GPa. At a pressure of 5 GPa, the electrical resistivity reaches 10{sup –3} Ω cm, which is characteristic of a metallic state; this resistivity continues to decrease with increasing pressure and reaches 1.7 × 10{sup –4} Ω cm at 8.1 GPa. The reverse metal–semiconductor transition occurs at a pressure of 3 GPa when pressure is relieved. When the pressure is decreased to atmospheric pressure, the electrical resistivity of the glasses is below the initial pressure by two–three orders of magnitude. Under normal conditions, both the volume and the electrical resistivity relax to quasi-equilibrium values in several months. Comparative structural and Raman spectroscopy investigations demonstrate that the glasses subjected to high pressure have the maximum chemical order. The glasses with a higher order have a lower electrical resistivity. The polyamorphism in the As{sub 2}Te{sub 3} glasses is caused by both structural changes and chemical ordering. The g-As{sub 2}Te{sub 3} compound is the first example of glasses, where the reversible metallization under pressure has been studied under hydrostatic conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

Investigation of minimum operating temperatures for cryogenic wind tunnels

Total temperatures corresponding to the onset of condensation effects were determined for flow over a 0.137-m NACA 0012-64 airfoil mounted in the Langley 1/3-m transonic wind tunnel. Tests were carried out at a total pressure range from 1.2 to 4.5 atm and at free-stream Mach numbers of 0.75, 0.85, and 0.95. No condensation effects were found to occur until total temperatures were below those associated with free-stream saturation. Significant increases in Reynolds number may apparently be obtained by operation at wind tunnel temperatures below those associated with local saturation over the airfoil but above those where effects first occur. For the 0.85 and 0.95 Mach numbers the increase in Reynolds number was at least 15% over those achieved at local saturation conditions for the same pressure range. Higher pressures may have had some detrimental effect in the 0.95 Mach number test.

Hall, R. M.↗
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 OSTI2023

Structure and equation of state of Bi 2 Sr 2 Ca n-1 Cu n O 2n+4+δ from x-ray diffraction to megabar pressures

Pressure is a unique tuning parameter for probing the properties of materials, and it has been particularly useful for studies of electronic materials such as high-temperature cuprate superconductors. In this work we report the effects of quasihydrostatic compression produced by a neon pressure medium on the structures of bismuth-based high-T c cuprate superconductors with the nominal composition Bi 2 Sr 2 Ca n-1 Cu n O 2n+4+δ (n=1, 2, 3) up to 155 GPa. The structures of all three compositions obtained by synchrotron x-ray diffraction can be described as pseudotetragonal over the entire pressure range studied. We show that previously reported pressure-induced distortions and structural changes arise from the large strains that can be induced in these layered materials by nonhydrostatic stresses. The pressure-volume equations of state (EOS) measured under these quasihydrostatic conditions cannot be fit to single phenomenological formulation over the pressure ranges studied, starting below 20 GPa. This intrinsic anomalous compression as well as the sensitivity of Bi 2 Sr 2 Ca n-1 Cu n O 2n+4+δ to deviatoric stresses provide explanations for the numerous inconsistencies in reported EOS parameters for these materials. We conclude that the anomalous compressional behavior of all three compositions is a manifestation of the changes in electronic properties that are also responsible for the remarkable nonmonotonic dependence of T c with pressure, including the increase in T c at the highest pressures studied so far for each. Transport and spectroscopic measurements up to megabar pressures are needed to fully characterize these cuprates and explore higher possible critical temperatures in these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Compressibility, Electrical Conductivity, and Crystallization of Glassy Selenium at a High Pressure

The volume and the electrical resistivity of glassy selenium (g-Se) are precisely measured at a high hydrostatic pressure up to 9 GPa. The bulk modulus at normal pressure (B = 9.05 ± 0.15 GPa) and its baric derivative (B{sub P}{sup ′} = 6.4 ± 0.2) fall on the general concentration dependence of the properties of Se–Ge glasses. The bulk modulus is found to behave substantially nonlinearly in the pressure range P < 3 GPa, and this behavior is not related to glass density relaxation (which is absent in this pressure range). The electrical resistivity of g-Se decreases almost exponentially with increasing pressure and reaches 20 Ω cm at 8.75 GPa. The inelastic behavior and weak volume relaxation in g-Se begin at a pressure above 3.5 GPa. Both the volume and the logarithm of electrical resistivity exhibit noticeable (logarithmic in time) relaxation at above 8 GPa. The detected volume hysteresis (1%) and significant (two orders of magnitude) electrical resistivity hysteresis are associated with the pressure-induced structural changes in the glass. They cannot be explained by partial glass crystallization, since no crystalline phase impurity was detected right after experiments. A noticeable (about 1.5%) crystalline phase impurity appears in a sample only after long-term (1 day) storage at a pressure above 8 GPa. Moreover, the crystallization kinetics of g-Se is studied under normal conditions after the action of a high pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Density of atoms in Ar*(3p{sup 5}4s) states and gas temperatures in an argon surfatron plasma measured by tunable laser spectroscopy

This study presents the absolute argon 1 s (in Paschens's notation) densities and the gas temperature, T{sub g}, obtained in a surfatron plasma in the pressure range 0.65 10 mbar, for which the pressure broadening can no more be neglected. T{sub g} is in the range of 480-750 K, increasing with pressure and decreasing with the distance from the microwave launcher. Taking into account the line of sight effects of the absorption measurements, a good agreement is found with our previous measurements by Rayleigh scattering of T{sub g} at the tube center. In the studied pressure range, the Ar(4 s) atom densities are in the order of 10{sup 16}-10{sup 18} m{sup -3}, increasing towards the end of the plasma column, decreasing with the pressure. In the low pressure side, a broad minimum is found around 10<p<20 mbar and hence the Ar(4 s) atom densities increase slightly with rising pressure. For the studied pressure range and all axial positions, the density ratio: 1s{sub 5}/1s{sub 4}/1s{sub 3} is very close to a Boltzmann equilibrium by electron impact mixing at the local T{sub e}, which was previously measured by Thomson scattering. The Ar(4 s) densities are successfully compared to a detailed Collisional Radiative Model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Synchrotron X-ray Study of Filled Skutterudites CeFe4Sb12 and Ce0.8Fe3CoSb12

In situ synchrotron X-ray diffraction measurements are carried out on filled skutterudites CeFe{sub 4}Sb{sub 12} and Ce{sub 0.8}Fe{sub 3}CoSb{sub 12} up to 32 and 20 GPa, respectively, at room temperature. No phase transformation was observed for both samples in the pressure range. Fitting the pressure-volume data (up to 10 GPa) to the third-order Birch-Murnaghan equation of state, the bulk modulus B{sub 0} is determined to be 74(4) GPa, with the pressure derivative B'{sub 0} = 7(2) for CeFe{sub 4}Sb{sub 12}, and B{sub 0} = 71(2) GPa and B'{sub 0} = 8(2) for Ce{sub 0.8}Fe{sub 3}CoSb{sub 12}. The bulk moduli of filled skutterudites CeFe{sub 4}Sb{sub 12} and Ce{sub 0.8}Fe{sub 3}CoSb{sub 12} in our study are smaller than those from previous studies on unfilled skutterudite CoSb{sub 3}. The P-V curves of the unfilled skutterudite CoSb{sub 3} and filled skutterudites CeyFe{sub 4-x}Co{sub x}Sb{sub 12} showed good agreement, indicating that the Ce filling fraction and the replacement of Fe with Co have little effect on their compression behaviors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRSDate not supplied

Multi-Anvil Experimentation Applied to Planetary Differentiation

Planets undergo differentiation that includes segregation of metal from silicate at high temperatures and pressures ranging from deep planetary core pressures (>300 GPa for Earth)to very shallow conditions of asteroids (<100 MPa).The multi-anvil solid media apparatus accesses the middle part of this range from 3 to 30 GPa –pressure relevant to the interior of Mercury, Venus, Earth, Earth’s Moon, and Mars. Early planets are thought to have experienced high temperatures from a combination of heat sources including radioactive decay, gravitational and accretional heating, and impact processes. These heating events led to melting of mantles and cores, thus requiring an understanding of solid-liquid equilibria in metal-silicate systems. In 2006 we established a multi-anvil facility at NASA-JSC combining an 880 ton press and a Kawai/Walker type module from Rockland Research. Our high PT work has been greatly facilitated by use of the COMPRES multi-anvil assemblies (1). Our recent work has included studies of element partitioning between liquid metal and liquid silicate(e.g., 2), as well as between minerals and melts(e.g., 3), both of which have led to better constraints on the timing and conditions of planetary differentiation(e.g. 4). Several examples involving sustained efforts will be summarized below and for the presentation. The distribution of siderophile (iron-loving) elements between core and mantle is controlled by metal-silicate equilibrium across a wide range of pressures. Therefore, experimentation across this pressure range helps to calibrate elemental partitioning models that can be applied to planets, and used to predict mantle chemistry and composition during planetary differentiation. Our studies have focused on a wide range of siderophile elements (refractory Ni, Co, W, Mo; volatile P, Ga, Cu, Sn, Sb; highly siderophile Au, Pd) that have constrained partitioning, valence, and isotopic fractionation, and applied to Earth, Moon, and Mars. When molten mantles (magma oceans) cool enough to initiate crystallization, the solids precipitate at depth and in large planets this involves high pressure phases like garnet, majorite, akimotoite, and ringwoodite. As these solids precipitate they can segregate from liquid by density contrasts, thus causing elemental fractionation which can be used to decipher timing of differentiation. Mineral/melt and metal/silicate equilibria in our lab have helped to better understand high pressure fractionation of isotopic parent/daughter pairs Hf/W, Mn/Cr, Pd/Ag, Pt/Os, Re/Os, and U/Pb, and their application to Earth, Moon and Mars. There remains great potential for multi-anvil experimentation to shed light on many pressure–dependent aspects of planetary evolution such as core formation, high pressure phase equilibria, redox equilibria, and volatile evolution and storage. References1. Leinenweber, K., et al.(2012) American Mineralogist,97, 353–368. 2.Righter, K., et al.(2020) Geochem. Persp. Lett.15, 1-6.3. Righter, K., et al.(2020) Met. Planet. Sci 55, 2741-2757.4. Righter, K., et al.(2020)Earth and Planetary Science Letters,552, 116590.

pressure↗
NASA NTRS1999

Space Shuttle Orbital Maneuvering Subsystem (OMS) Engine Propellant Leakage Ball-Valve Shaft Seals

Evidence of propellant leakage across ball-valve shaft seals has been noted during the disassembly of five flight engines and one test engine at the NASA Lyndon B. Johnson Space Center, White Sands Test Facility. Based on data collected during the disassembly of these five engines, the consequences of propellant leakage across the ball-valve shaft seals can be divided into four primary areas of concern: Damage to the ball-valve pinion shafts, damage to sleeved bearings inside the ball-valve and actuator assemblies, degradation of the synthetic rubber o-rings used in the actuator assemblies, and corrosion and degradation to the interior of the actuator assemblies. The exact time at which leakage across the ball-valve shaft seals occurs has not been determined, however, the leakage most likely occurs during engine firings when, depending on the specification used, ball-valve cavity pressures range as high as 453 to 550 psia. This potential pressure range for the ball-valve cavities greatly exceeds the acceptance leakage test pressure of 332 psia. Since redesign and replacement of the ball-valve shaft seals is unlikely, the near term solution to prevent damage that occurs from shaft-seal leakage is to implement a routine overhaul and maintenance program for engines in the fleet. Recommended repair, verification, and possible preventative maintenance measures are discussed in the paper.

Lueders, Kathy↗
NASA NTRS2009

Heat Transfer Modeling and Validation for Optically Thick Alumina Fibrous Insulation

Combined radiation/conduction heat transfer through unbonded alumina fibrous insulation was modeled using the diffusion approximation for modeling the radiation component of heat transfer in the optically thick insulation. The validity of the heat transfer model was investigated by comparison to previously reported experimental effective thermal conductivity data over the insulation density range of 24 to 96 kg/cu m, with a pressure range of 0.001 to 750 torr (0.1 to 101.3 x 10(exp 3) Pa), and test sample hot side temperature range of 530 to 1360 K. The model was further validated by comparison to thermal conductivity measurements using the transient step heating technique on an insulation sample at a density of 144 kg/cu m over a pressure range of 0.001 to 760 torr, and temperature range of 290 to 1090 K.

Daryabeigi, Kamran↗
DOE OSTI2012

Method for creating high carbon content products from biomass oil

In a method for producing high carbon content products from biomass, a biomass oil is added to a cracking reactor vessel. The biomass oil is heated to a temperature ranging from about 100.degree. C. to about 800.degree. C. at a pressure ranging from about vacuum conditions to about 20,700 kPa for a time sufficient to crack the biomass oil. Tar is separated from the cracked biomass oil. The tar is heated to a temperature ranging from about 200.degree. C. to about 1500.degree. C. at a pressure ranging from about vacuum conditions to about 20,700 kPa for a time sufficient to reduce the tar to a high carbon content product containing at least about 50% carbon by weight.

36 MATERIALS SCIENCE↗
DOE OSTI2011

A far- and Mid-infrared Study of HMX (octahydro-1 3 5 7-tetranitro-1 3 5 7-terazocine) Under High Pressure

We report two separate synchrotron FTIR measurements of the high explosive HMX at ambient temperature and static high pressure in the far- (100-500 wavenumbers) and mid- (500-3200 wavenumbers) infrared (IR) regions up to 30 GPa. The sample for the far-IR experiment was loaded with no pressure-transmitting medium and the sample for the mid-IR study utilized a KBr pressurizing medium. Two possible phase transitions from beta-HMX at ambient conditions were observed near 5 and 12 GPa (likely into the epsilon phase). A phase transition was observed near 25 GPa probably into the delta phase. Pressure cycling in both experiments found no irreversible damage within this pressure range.

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

Ab initio studies on phase transition, thermoelastic, superconducting and thermodynamic properties of the compressed cubic phase of AlH{sub 3}

The phase transition, thermoelastic, lattice dynamic, and thermodynamic properties of the cubic metallic phase AlH{sub 3} were obtained within the density-function perturbation theory. The calculated elastic modulus and phonon dispersion curves under various pressures at 0 K indicate the cubic phase is both mechanically and dynamically stable above 73 GPa. The superconducting transition temperature T{sub c} was calculated using the Allen-Dynes modification of the McMillan formula based on BCS theory. The calculations show that T{sub c} for the cubic phase AlH{sub 3} is 8.5 K (μ{sup *}=0.1) at the onset of this phase (73 GPa), while decreases to 5.7 K at 80 GPa and almost disappears at 110 GPa, consisting with experimental phenomenon that there was no superconducting transition observed down to 4 K over a wide pressure range 110–164 GPa. It is found that the soft phonon mode for branch 1, namely, the lowest acoustic mode, plays a crucial role in elevating the total EPC parameter λ of cubic AlH{sub 3}. And the evolution of T{sub c} with pressure follows the corresponding change of this soft mode, i.e. this mode is responsible for the disappearance of T{sub c} in experiments. Meanwhile, the softening of this lowest acoustic mode originates from the electronic momentum transfer from M to R point. This phenomenon provides an important insight into why drastic changes in the diffraction pattern were observed in the pressure range of 63–73 GPa in Goncharenko's experiments. Specifically, once finite electronic temperature effects are included, we find that dynamical instabilities can be removed in the phonon dispersion for P≥63 GPa, rendering the metastability of this phase in the range of 63–73 GPa, and T{sub c} (15.4 K) becomes remarkably high under the lowest possible pressure (63 GPa) compared with that of under 73 GPa (8.5 K). Our calculations open the possibility that finite temperature may allow cubic AlH{sub 3} to be dynamically stabilized even for pressures below 73 GPa. It is reasonable to deduced that if special techniques, such as rapid decompression, quenching, and annealing, are implemented in experiments, higher T{sub c} can be observed in hydrides or hydrogen-rich compounds under much lower pressure than ever before.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Pressure-induced Td to 1T′ structural phase transition in WTe{sub 2}

WTe{sub 2} is provoking immense interest owing to its extraordinary properties, such as large positive magnetoresistance, pressure-driven superconductivity and possible type-II Weyl semimetal state. Here we report results of high-pressure synchrotron X-ray diffraction (XRD), Raman and electrical transport measurements on WTe{sub 2}. Both the XRD and Raman results reveal a structural transition upon compression, starting at 6.0 GPa and completing above 15.5 GPa. We have determined that the high-pressure lattice symmetry is monoclinic 1T′ with space group of P2{sub 1}/m. This transition is related to a lateral sliding of adjacent Te-W-Te layers and results in a collapse of the unit cell volume by ∼20.5%. The structural transition also casts a pressure range with the broadened superconducting transition, where the zero resistance disappears.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗