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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Abnormal Elasticity of Fe-Bearing Bridgmanite in the Earth's Lower Mantle

We measured the effect of pressure on the compressional and shear wave velocity (V P , V S ) as well as density of Fe-bearing bridgmanite, Mg 0.96(1) Fe 2+ 0.036(5) Fe 3+ 0.014(5) Si 0.99(1) O 3 , using impulsive stimulated light scattering, Brillouin light scattering, and X-ray diffraction, respectively, in diamond anvil cells up to 70 GPa at 300 K. A drastic softening of V P by ~6(±1)% is observed between 42.6 and 58 GPa, while V S increases continuously with increasing pressure. A significant reduction in Poisson's ratio from 0.24 to 0.16 occurs at ~42.6–58 GPa, while VS increases by ~3(±1)% above ~40 GPa compared to MgSiO 3- bridgmanite. Thermoelastic modeling of the experimental results shows that the observed elastic anomaly of Fe-bearing bridgmanite is consistent with a spin transition of octahedrally coordinated Fe 3+ in bridgmanite. These results challenge traditional views that Fe enrichment will reduce seismic velocities, suggesting that seismic heterogeneities in the mid-lower mantle may be due to a spin transition of Fe in Fe-bearing bridgmanite.

58 GEOSCIENCES↗
DOE OSTI2022

Dissolving salt is not equivalent to applying a pressure on water

Abstract Salt water is ubiquitous, playing crucial roles in geological and physiological processes. Despite centuries of investigations, whether or not water’s structure is drastically changed by dissolved ions is still debated. Based on density functional theory, we employ machine learning based molecular dynamics to model sodium chloride, potassium chloride, and sodium bromide solutions at different concentrations. The resulting reciprocal-space structure factors agree quantitatively with neutron diffraction data. Here we provide clear evidence that the ions in salt water do not distort the structure of water in the same way as neat water responds to elevated pressure. Rather, the computed structural changes are restricted to the ionic first solvation shells intruding into the hydrogen bond network, beyond which the oxygen radial-distribution function does not undergo major change relative to neat water. Our findings suggest that the widely cited pressure-like effect on the solvent in Hofmeister series ionic solutions should be carefully revisited.

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

Pressure-induced charge orders and their postulated coupling to magnetism in hexagonal multiferroic LuFe 2 O 4

Hexagonal LuFe 2 O 4 is a promising charge order (CO) driven multiferroic material with high charge and spin-ordering temperatures. The coexisting charge and spin orders on Fe 3+ /Fe 2+ sites result in magnetoelectric behaviors, but the coupling mechanism between the charge and spin orders remains elusive. Here, by tuning external pressure, we reveal three charge-ordered phases with suggested correlation to magnetic orders in LuFe 2 O 4 : (i) a centrosymmetric incommensurate three-dimensional CO with ferrimagnetism, (ii) a non-centrosymmetric incommensurate quasi-two-dimensional CO with ferrimagnetism, and (iii) a centrosymmetric commensurate CO with antiferromagnetism. Experimental in situ single-crystal X-ray diffraction and X-ray magnetic circular dichroism measurements combined with density functional theory calculations suggest that the charge density redistribution caused by pressure-induced compression in the frustrated double-layer [Fe 2 O 4 ] cluster is responsible for the correlated spin-charge phase transitions. The pressure-enhanced effective Coulomb interactions among Fe-Fe bonds drive the frustrated (1/3, 1/3) CO to a less frustrated (1/4, 1/4) CO, which induces the ferrimagnetic to antiferromagnetic transition. Our results not only elucidate the coupling mechanism among charge, spin, and lattice degrees of freedom in LuFe 2 O 4 , but also provide a new way to tune the spin-charge orders in a highly controlled manner.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Substantial influence of vapour buoyancy on tropospheric air temperature and subtropical cloud

The molar mass of water vapor is less than that of dry air, making humid air lighter than dry air at the same temperature and pressure. This effect is known as vapor buoyancy and has been considered negligibly small in large-scale climate dynamics. Here we use theory, reanalysis data, and a hierarchy of climate models to show that vapor buoyancy has a similar magnitude to thermal buoyancy in the tropical free troposphere. We further show that vapor buoyancy makes cold air rise and increases subtropical stratiform low clouds by up to 70% of its climatological value. However, some widely used climate models fail to represent vapor buoyancy in the governing equations. Further, this flaw leads to inaccurate simulations of cloud distributions—the largest uncertainty in predicting climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Two-dimensional diamonds from sp 2 -to- sp 3 phase transitions

The ability to change material properties through phase engineering has long been sought, with the goal of ad hoc tunability of the physical and chemical properties of the transformed phases. The synthesis and study of graphene have made it possible to explore the mechanisms of 2D phase transformations, opening up paths towards the formation of 2D diamond and diamond thin films. This Review examines the state-of-the-art phase transformations in 2D graphitic systems and beyond. The theoretical models formulated to describe the sp2-to-sp3 transitions from graphene to 2D diamond and the experimental processes developed to induce the transition to 2D diamond are discussed, focusing on the transformations induced by chemical functionalization and pressure. The effects of different structural and environmental factors on the evolution of the phase transformations and on the properties of the transformed diamond phases are explored. Without comprehensively reviewing phase transitions in all 2D materials, we briefly mention hexagonal boron nitride, phosphorene, transition metal dichalcogenides and MXenes systems. Lastly, the Review delves into the technologies and applications of phase transformations in 2D materials and the opportunities for this field.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Flash (Ultra-Rapid) Spark-Plasma Sintering of Silicon Carbide

A new ultra-rapid process of flash spark plasma sintering is developed. The idea of flash spark plasma sintering (or flash hot pressing - FHP) stems from the conducted theoretical analysis of the role of thermal runaway phenomena for material processing by flash sintering. The major purpose of the present study is to theoretically analyze the thermal runaway nature of flash sintering and to experimentally address the challenge of uncontrollable thermal conditions by the stabilization of the flash sintering process through the application of the external pressure. The effectiveness of the developed FHP technique is demonstrated by the few seconds–long consolidation of SiC powder in an industrial spark plasma sintering device. Specially designed sacrificial dies heat the pre-compacted SiC powder specimens to a critical temperature before applying any voltage to the powder volume and allowing the electrode-punches of the SPS device setup to contact the specimens and pass electric current through them under elevated temperatures. The experimental results demonstrate that flash sintering phenomena can be realized using conventional SPS devices. The usage of hybrid heating SPS devices is pointed out as the mainstream direction for the future studies and utilization of the new flash hot pressing (ultra-rapid spark plasma sintering) technique.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of impurity on high pressure behavior of nano indium titanate

Angle dispersive x-ray diffraction studies were carried out on a mixture of nano particles of indium titanate, indium oxide, and disordered TiO{sub 2} upto pressures of ∼ 45 GPa. Our studies show that indium titanate undergoes a partial decomposition to its constituent high pressure oxides. However, concomitantly a very small fraction of indium titanate transforms to a denser phase at ∼ 27.5 GPa. This transformation to new phase was found to be irreversible. At this pressure even cubic In{sub 2}O{sub 3} transformed to the In{sub 2}O{sub 3} (II) (iso-structural to Rh{sub 2}O{sub 3} (II)) phase, without any signature of the intermediate corundum phase. The high pressure In{sub 2}O{sub 3} (II) phase transforms to the corundum structure on release of pressure. These studies indicate that the presence of a large fraction of seed impurities could have facilitated the decomposition of indium titanate into its constituent oxides at the cost of its incomplete transformation to the high pressure denser phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Bulk plasma fragmentation in a C{sub 4}F{sub 8} inductively coupled plasma: A hybrid modeling study

A hybrid model is used to investigate the fragmentation of C{sub 4}F{sub 8} inductive discharges. Indeed, the resulting reactive species are crucial for the optimization of the Si-based etching process, since they determine the mechanisms of fluorination, polymerization, and sputtering. In this paper, we present the dissociation degree, the density ratio of F vs. C{sub x}F{sub y} (i.e., fluorocarbon (fc) neutrals), the neutral vs. positive ion density ratio, details on the neutral and ion components, and fractions of various fc neutrals (or ions) in the total fc neutral (or ion) density in a C{sub 4}F{sub 8} inductively coupled plasma source, as well as the effect of pressure and power on these results. To analyze the fragmentation behavior, the electron density and temperature and electron energy probability function (EEPF) are investigated. Moreover, the main electron-impact generation sources for all considered neutrals and ions are determined from the complicated C{sub 4}F{sub 8} reaction set used in the model. The C{sub 4}F{sub 8} plasma fragmentation is explained, taking into account many factors, such as the EEPF characteristics, the dominance of primary and secondary processes, and the thresholds of dissociation and ionization. The simulation results are compared with experiments from literature, and reasonable agreement is obtained. Some discrepancies are observed, which can probably be attributed to the simplified polymer surface kinetics assumed in the model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effects of magnetic field and pressure in magnetoelastic stress reconfigurable thin film resonators

Free-standing CoFe thin-film doubly clamped stress reconfigurable resonators were investigated as a function of magnetic field and pressure. A large uniaxial anisotropy resulting from residual uniaxial tensile stress, as revealed from magnetic hysteresis loops, leads to an easy magnetization axis aligned along the length of the beams. The quality factor of the driven resonator beams under vacuum is increased by 30 times, leading to an enhanced signal-to-noise ratio and a predicted reduction in the intrinsic magnetic noise by a factor of 6, potentially reaching as low as ∼25 pT/√Hz at 1 Torr. Stress reconfigurable sensors operating under vacuum could thus further improve the limit of detection and advance development of magnetic field sensing technology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Error field penetration and locking to the backward propagating wave

In this letter we investigate error field penetration, or locking, behavior in plasmas having stable tearing modes with finite real frequencies w r in the plasma frame. In particular, we address the fact that locking can drive a significant equilibrium flow. We show that this occurs at a velocity slightly above v = w r /k, corresponding to the interaction with a backward propagating tearing mode in the plasma frame. Results are discussed for a few typical tearing mode regimes, including a new derivation showing that the existence of real frequencies occurs for viscoresistive tearing modes, in an analysis including the effects of pressure gradient, curvature and parallel dynamics. The general result of locking to a finite velocity flow is applicable to a wide range of tearing mode regimes, indeed any regime where real frequencies occur.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Effect of annealing time, weight pressure and cobalt doping on the electrical and magnetic behavior of barium titanate

BaTi{sub 0.5}CO{sub 0.5}O{sub 3} (BTCO) nanoparticles were prepared by the solid state reaction technique using different starting materials and the microstructure examined by XRD, FESEM, BDS and VSM. X-ray diffraction and electron diffraction patterns showed that the nanoparticles were the tetragonal BTCO phase. The BTCO nanoparticles prepared from the starting materials of as prepared titanium-oxide, Cobalt -oxide and barium carbonate have spherical grain morphology, an average size of 65 nm and a fairly narrow size distribution. The nano-scale presence and the formation of the tetragonal perovskite phase as well as the crystallinity were detected using the mentioned techniques. Dielectric properties of the samples were measured at different frequencies. Broadband dielectric spectroscopy is applied to investigate the electrical properties of disordered perovskite-like ceramics in a wide temperature range. The doped BTCO samples exhibited low loss factor at 1 kHz and 1 MHz frequencies respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Optimization of Si:H films at the onset of nanocrystallinity for applications in silicon solar cells

The Si:H films at the onset of nanocrystallinity has proved to be an extremely useful material for stable a-Si:H based solar cells. In the present work it has been targeted to grow the improved a-Si:H matrix at the onset of nanocrystallization at a high growth rate. By optimizing the electrode separation in the RF glow discharge reactor and the effective gas pressure in the plasma, a significantly conducting (σ{sub D} ∼10{sup −5} S.cm{sup −1}), optically absorbing, low H-content (C{sub H} ∼2.2 at%) Si:H material at the onset of nanocrystallinity (X{sub C} ∼53%) has been obtained at a relatively high growth rate (r{sub d} = 102 Å/min), suitable for the desired technological applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The effect of frequency on atmospheric pressure glow discharge in a pin-to-plate gap sustained by a resonant power supply

More and more researchers have been attracted to the research of atmospheric pressure glow discharge (APGD) because of its great prospect in numerous industrial applications. Nevertheless, almost all of the industrial applications are based on achievement of stable, large-volume, and uniform APGD. In a previous study, stable filamentary APGD was obtained by applying a resonant power supply between pin-to-plate electrodes which could limit the peak value of discharge current to supress the glow-to-arc transition through a series-wound resonance principle. The filamentary APGD is centimeter-level in the length but only several millimeters in diameter. Therefore, in order to obtain large-volume and uniform APGD, it is significant to study how to diffuse filamentary APGD in radial direction. With the increasing resonant frequency of alternating current discharge, excited particles (mainly including energetic electrons and trapped ions left from the previous half-cycle discharge) in the electrodes gap increase, which benefits obtaining stable self-sustaining APGD. In this paper, mechanism and law of the influence of resonant frequency on the diffusion of filamentary APGD in ambient air were studied. By comparing the photos of discharge plasma and waveforms of the discharge voltage and current, it is found that the volume of the glow discharge plasma enlarges as the resonant frequency of the power supply increases. It is very significant and anticipating to study how to obtain stable, large-volume, and uniform APGD in ambient air by the resonant power supply.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Enhanced hot-electron production and strong-shock generation in hydrogen-rich ablators for shock ignition

Experiments were performed with CH, Be, C, and SiO 2 ablators interacting with high-intensity UV laser radiation (5 × 10 15 W/cm 2 , λ = 351 nm) to determine the optimum material for hot-electron production and strong-shock generation. Significantly more hot electrons are produced in CH (up to ~13% instantaneous conversion efficiency), while the amount is a factor of ~2 to 3 lower in the other ablators. A larger hot-electron fraction is correlated with a higher effective ablation pressure. As a result, the higher conversion efficiency in CH is attributed to stronger damping of ion-acoustic waves because of the presence of light H ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Anisotropy-driven collisional separation of impurities in magnetized compressing and expanding cylindrical plasmas

When a cylindrically-symmetric magnetized plasma compresses or expands, velocity-space anisotropy is naturally generated as a result of the different adiabatic conservation laws parallel and perpendicular to the magnetic field. When the compression timescale is comparable to the collision timescale, and both are much longer than the gyroperiod, this pressure anisotropy can become significant. We show that this naturallygenerated anisotropy can dramatically affect the transport of impurities in the compressing plasma, even in the absence of scalar temperature or density gradients, by modifying the azimuthal frictions that give rise to radial particle transport. Although the impurity transport direction depends only on the sign of the pressure anisotropy, the anisotropy itself depends on the pitch magnitude of the magnetic field and the sign of the radial velocity. Thus, pressure anisotropy effects can drive impurities either towards or away from the plasma core. These anisotropy-dependent terms represent a qualitatively new effect, influencing transport particularly in the sparse edge regions of dynamically-compressing screw pinch plasmas. Such plasmas are used for both X-ray generation and magneto-inertial fusion, applications which are sensitive to impurity concentrations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Effect of fine-tuning pore structures on the dynamics of confined water

Confinement of water in sub-nanometer pores strongly alters its vibrational dynamics from that of bulk water. The effect of confinement can, moreover, be finely tuned by small changes in the size and symmetry of the confining pore. Using inelastic neutron scattering (INS), we recently studied the dynamics of water confined in the channels of beryl and cordierite in which, at low temperatures, water shows similar behavior, indicating an absence of hydrogen bonds acting on the water molecule and a shallow water potential in the direction perpendicular to the channels. In addition, we observed multiple tunneling modes (between 0.66 and 14.7 meV) in the INS spectra of beryl due to transitions between the split ground-state of the water protons. Here, we introduce a study of (i) the effect of pressure on the dynamics of water in beryl, (ii) the dynamics of water in beryl containing alkali metals (which results in changing the orientation of the water molecule in the crystal), and (iii) the dynamics of water in cordierite at low energies. We found a shift in the tunneling and vibrational modes of water in beryl to higher energies at 22 kbar relative to 1 bar. No tunneling modes were observed for water in cordierite and type-II water in beryl. Thus, we conclude that very small differences in the size and structure of the pores and the orientation of the water molecule in these minerals result in changes in the potential of the water protons and drastic changes in the confined water dynamics.

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

Strong enhancement of magnetic ordering temperature and structural/valence transitions in EuPd 3 S 4 under high pressure

We present a comprehensive study of the inhomogeneous mixed-valence compound, EuPd 3 S 4 , by electrical transport, X-ray diffraction, time-domain 151 Eu synchrotron Mössbauer spectroscopy, and X-ray absorption spectroscopy measurements under high pressure. Electrical transport measurements show that the antiferromagnetic ordering temperature, T N , increases rapidly from 2.8 K at ambient pressure to 23.5 K at ~19 GPa and plateaus between ~19 and ~29 GPa after which no anomaly associated with T N is detected. A pressure-induced first-order structural transition from cubic to tetragonal is observed, with a rather broad coexistence region (~20 GPa to ~30 GPa) that corresponds to the T N plateau. Mössbauer spectroscopy measurements show a clear valence transition from approximately 50:50 Eu 2+ :Eu 3+ to fully Eu 3+ at ~28 GPa, consistent with the vanishing of the magnetic order at the same pressure. X-ray absorption data show a transition to a fully trivalent state at a similar pressure. Our results show that pressure first greatly enhances T N , most likely via enhanced hybridization between the Eu 4 f states and the conduction band, and then, second, causes a structural phase transition that coincides with the conversion of the europium to a fully trivalent state.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Unusual effects of Be doping in the iron-based superconductor FeSe

Recent superconducting transition temperatures (T c ) over 100 K for monolayer FeSe on SrTiO 3 have renewed interest in the bulk parent compound. In KCl:AlCl 3 flux-transport-grown crystals of FeSe 0.94 Be 0.06 , FeSe 0.97 Be 0.03 and, for comparison, FeSe, this work reports doping of FeSe using Be—among the smallest of possible dopants, corresponding to an effective 'chemical pressure'. According to lattice parameter measurements, 6% Be doping shrank the tetragonal FeSe lattice equivalent to a physical pressure of 0.75 GPa. Using this flux-transport method of sample preparation, 6% of Be was the maximum amount of dopant achievable. At this maximal composition of FeSe 0.94 Be 0.06 , the lattice unit cell shrinks by 2.4%, T c —measured in the bulk via specific heat—increases by almost 10%, the T c versus pressure behavior shifts its peak T$onset\atop{c}$downwards by ~1 GPa, the high temperature structural transition around T S = 89 K increases by 1.9 K (in contrast to other dopants in FeSe which uniformly depress T S), and the low temperature specific heat γ increases by 10% compared to pure FeSe. Also, upon doping by 6% Be the residual resistivity ratio, ρ(300 K)/ρ(T → 0), increases by almost a factor of four, while ρ(300 K)/ρ(T=$+\atop{c}$) increases by 50%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗