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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 OSTI2025

Superconductivity and normal-state transport in compressively strained La 2 PrNi 2 O 7 thin films

The discovery of superconductivity under high pressure in Ruddlesden-Popper phases of bulk nickelates has sparked great interest in stabilizing ambient pressure superconductivity in thin-film form using epitaxial strain. Recently, signs of superconductivity have been observed in compressively strained bilayer nickelate thin films with an onset temperature exceeding 40 K, albeit with broad and two-step-like transitions. Here, in this study, we report intrinsic superconductivity and normal-state transport properties in compressively strained La 2 PrNi 2 O 7 thin films, achieved through a combination of isovalent Pr substitution, growth optimization, and precision ozone annealing. The superconducting onset occurs above 48 K, with zero resistance reached above 30 K, and the critical current density at 1.4 K is 100-fold larger than previous reports. The normal-state resistivity exhibits quadratic temperature dependence indicative of Fermi liquid behaviour, and other phenomenological similarities to transport in overdoped cuprates suggest parallels in their emergent properties.

Liu, Yidi [SLAC National Accelerator Laboratory (S↗
DOE OSTI2018

Experimental evidence for superionic water ice using shock compression

In stark contrast to common ice, Ih, water ice at planetary interior conditions has been predicted to become superionic with fast- diffusing (that is, liquid-like) hydrogen ions moving within a solid lattice of oxygen. Likely to constitute a large fraction of icy giant planets, this extraordinary phase has not been observed in the laboratory. Here, we report laser-driven shock-compression experiments on water ice VII. Using time-resolved optical pyrometry and laser velocimetry measurements as well as sup- porting density functional theory–molecular dynamics (DFT-MD) simulations, we document the shock equation of state of H 2 O to unprecedented extreme conditions and unravel thermodynamic signatures showing that ice melts near 5,000 K at 190 GPa. Furthermore, optical reflectivity and absorption measurements also demonstrate the low electronic conductivity of ice, which, combined with previous measurements of the total electrical conductivity under reverberating shock compression, provides experimental evidence for superionic conduction in water ice at planetary interior conditions, verifying a 30-year-old prediction.

08 HYDROGEN↗
DOE OSTI2020

Evidence of shock-compressed stishovite above 300 GPa

SiO 2 is one of the most fundamental constituents in planetary bodies, being an essential building block of major mineral phases in the crust and mantle of terrestrial planets (1–10 M E ). Silica at depths greater than 300 km may be present in the form of the rutile-type, high pressure polymorph stishovite (P4 2 /mnm) and its thermodynamic stability is of great interest for understanding the seismic and dynamic structure of planetary interiors. Previous studies on stishovite via static and dynamic (shock) compression techniques are contradictory and the observed differences in the lattice-level response is still not clearly understood. Here, laser-induced shock compression experiments at the LCLS- and SACLA XFEL light-sources elucidate the high-pressure behavior of stishovite on the lattice-level under in situ conditions on the Hugoniot to pressures above 300 GPa. We find stishovite is still (meta-)stable at these conditions, and does not undergo any phase transitions. This contradicts static experiments showing structural transformations to the CaCl 2 , α-PbO 2 and pyrite-type structures. However, rate-limited kinetic hindrance may explain our observations. These results are important to our understanding into the validity of EOS data from nanosecond experiments for geophysical applications.

58 GEOSCIENCES↗
DOE OSTI2022

Phase transformation path in Aluminum under ramp compression; simulation and experimental study

Abstract We present a framework based on non-equilibrium molecular dynamics (NEMD) to reproduce the phase transformation event of Aluminum under ramp compression loading. The simulated stress-density response, virtual x-ray diffraction patterns, and structure analysis are compared against the previously observed experimental laser-driven ramp compression in-situ x-ray diffraction data. The NEMD simulations show the solid–solid phase transitions are consistent to experimental observations with a close-packed face-centered cubic (fcc) (111), hexagonal close-packed (hcp) structure (002), and body-centered cubic bcc (110) planes remaining parallel. The atomic-level analysis of NEMD simulations identifiy the exact phase transformation pathway happening via Bain transformation while the previous in situ x-ray diffraction data did not provide sufficient information for deducing the exact phase transformation path.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Direct observation of diamond formation in a shock-compressed high explosive

Understanding the formation timescale and structure of carbonaceous reaction products is critical for modeling the high-pressure equation-of-state of organic materials. We use the National Ignition Facility to shock-compress polycrystalline TATB (C 6 H 6 N 6 O 6 ) samples to ~70–130 GPa and ~4000–5500 K, employing in situ nanosecond X-ray diffraction to probe reaction products and velocimetry to measure transmitted compression wave profiles. Our diffraction data is consistent with the formation of diamond over timescales less than ~60 ns. This represents carbon condensation from a molecular explosive on timescales three times faster than previously reported and the earliest observation of diamond produced from reacting TATB. Reactive flow simulations with explicit chemistry reproduce the observed temporal structure within wave profiles to inform the distribution of P-T states. These findings provide direct evidence of ultrafast diamond formation in a reactive system at extreme conditions and provide new constraints for models of shock and detonation chemistry.

Clarke, Samantha M. [Lawrence Livermore National L↗
DOE OSTI2016

Magnetic moment collapse induced axial alternative compressibility of Cr 2 TiAlC 2 at 420 GPa from first principle

The electronic structure and thermo-dynamical properties of Cr 2 TiAlC 2 are studied by first principles under pressure. The obtained results observed that the ferromagnetic order is the most stable ground state and the magnetic moment will collapse at about 50GPa. As a result, the lattice a axis becomes stiffer above about 420GPa, ultimately presenting the same axial compressibility trends with those of nonmagnetic compounds Mo2TiAlC2 and hypothetical Cr2TiAlC2. The elastic constants and phonon dispersion curves demonstrate the structural stability during the disappearance of magnetic moment and occurrence of axial alternative compressibility. The density of states and energy band calculations confirmed the existence of magnetic moment of Cr2TiAlC2 at 0GPa and disappearance at high pressures above 50GPa. Evolutions of magnetic moment collapse with pressure are confirmed by a variety of properties. The obtained grüneisen parameter and thermal expansion coefficients show the maximum value among the known MAX phases, to date and to the author’s knowledge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

In situ X-ray spatial profiling reveals uneven compression of electrode assemblies and steep lateral gradients in lithium-ion coin cells

Coin cells are used extensively as test devices in battery research for evaluation of new materials and optimization of cycling protocols. Here, in situ X-ray diffraction profilometry is used to characterize spatial distribution of the active materials, lithiation, and phase distribution in electrodes of NCM523/graphite coin cells. The X-ray data indicate uneven areal compression of the electrode assembly in such cells, which we trace to a specific design feature that leads to elastic deformation of a metal spacer. Steep lithiation gradients observed in the electrodes imply radially-dependent resistivity, for which uneven compression of the separator is a likely cause. Electrochemical model calculations suggest that variable porosity of the polymer separator would account for the salient features of spatial profiles observed in these coin cells.

25 ENERGY STORAGE↗
DOE OSTI2014

Effect of cooler electrons on a compressive ion acoustic solitary wave in a warm ion plasma — Forbidden regions, double layers, and supersolitons

It is observed that the presence of a minority component of cooler electrons in a three component plasma plays a deterministic role in the evolution of solitary waves, double layers, or the newly discovered structures called supersolitons. The inclusion of the cooler component of electrons in a single electron plasma produces sharp increase in nonlinearity in spite of a decrease in the overall energy of the system. The effect maximizes at certain critical value of the number density of the cooler component (typically 15%–20%) giving rise to a hump in the amplitude variation profile. For larger amplitudes, the hump leads to a forbidden region in the ambient cooler electron concentration which dissociates the overall existence domain of solitary wave solutions in two distinct parameter regime. It is observed that an inclusion of the cooler component of electrons as low as < 1% affects the plasma system significantly resulting in compressive double layers. The solution is further affected by the cold to hot electron temperature ratio. In an adequately hotter bulk plasma (i.e., moderately low cold to hot electron temperature ratio), the parameter domain of compressive double layers is bounded by a sharp discontinuity in the corresponding amplitude variation profile which may lead to supersolitons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Lone-pair interactions and photodissociation of compressed nitrogen trifluoride

High-pressure behavior of nitrogen trifluoride (NF{sub 3}) was investigated by Raman and IR spectroscopy at pressures up to 55 GPa and room temperature, as well as by periodic calculations up to 100 GPa. Experimentally, we find three solid-solid phase transitions at 9, 18, and 39.5 GPa. Vibrational spectroscopy indicates that in all observed phases NF{sub 3} remains in the molecular form, in contrast to the behavior of compressed ammonia. This finding is confirmed by density functional theory calculations, which also indicate that the phase transitions of compressed NF{sub 3} are governed by the interplay between lone‑pair interactions and efficient molecule packing. Although nitrogen trifluoride is molecular in the whole pressure range studied, we show that it can be photodissociated by mid-IR laser radiation. This finding paves the way for the use of NF{sub 3} as an oxidizing and fluorinating agent in high-pressure reactions.

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

Compressively strained SiGe band-to-band tunneling model calibration based on p-i-n diodes and prospect of strained SiGe tunneling field-effect transistors

Band-to-band tunneling parameters of strained indirect bandgap materials are not well-known, hampering the reliability of performance predictions of tunneling devices based on these materials. The nonlocal band-to-band tunneling model for compressively strained SiGe is calibrated based on a comparison of strained SiGe p-i-n tunneling diode measurements and doping-profile-based diode simulations. Dopant and Ge profiles of the diodes are determined by secondary ion mass spectrometry and capacitance-voltage measurements. Theoretical parameters of the band-to-band tunneling model are calculated based on strain-dependent properties such as bandgap, phonon energy, deformation-potential-based electron-phonon coupling, and hole effective masses of strained SiGe. The latter is determined with a 6-band k·p model. The calibration indicates an underestimation of the theoretical electron-phonon coupling with nearly an order of magnitude. Prospects of compressively strained SiGe tunneling transistors are made by simulations with the calibrated model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The compressive buckling and size effect of single-walled carbon nanotubes

A higher-order Bernoulli-Euler beam model is developed to investigate the compressive buckling and size effect of single-walled carbon nanotubes by using a higher-order continuum relationship that has been previously proposed by the present authors. The second-order deformation gradients with respect to the axial direction are also considered, and the beam parameters are obtained by calculating the constitutive response around the circumference. The critical compressive force is analytically provided, and the size effect is studied by estimating the contribution of the higher-order terms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Strongly compressed Bi (111) bilayer films on Bi{sub 2}Se{sub 3} studied by scanning tunneling microscopy

Ultra-thin Bi films show exotic electronic structure and novel quantum effects, especially the widely studied Bi (111) film. Using reflection high-energy electron diffraction and scanning tunneling microscopy, we studied the structure and morphology evolution of Bi (111) thin films grown on Bi{sub 2}Se{sub 3}. A strongly compressed, but quickly released in-plane lattice of Bi (111) is found in the first three bilayers. The first bilayer of Bi shows a fractal growth mode with flat surface, while the second and third bilayer show a periodic buckling due to the strong compression of the in-plane lattice. The lattice slowly changes to its bulk value with further deposition of Bi.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Mean force on a finite-sized rigid particle, droplet, or bubble in a viscous compressible medium

In this paper, a force formulation to compute the axial acoustic mean second-order force on finite-sized compressible and rigid particles is presented. The flow inside and outside the spherical inclusion is considered viscous and compressible. Other than for volumetric pulsations of the bubble/droplet, the sphericity of the inclusion is maintained (taken to be unity). A far-field derivation approach has been used to compute the force due to standing and traveling waves; and the force is expressed as a multipole expansion (infinite series). In case of a bubble and a rigid particle, there exist three length scales that govern the mean second-order force: mean radius of the spherical inclusion (R 0 ), wavelength of the incoming acoustics (λ), and the momentum diffusion thickness of the ambient fluid (δ o ). While R 0 and λ are arbitrary, we assume the viscous length scale is negligibly small compared to the acoustic wavelength. In case of a droplet, however, the following additional parameters (inside to outside fluid ratios) also play a role: density ratio ($\sim\atop{p}$), viscosity ratio ($\sim\atop{μ}$, and speed of sound ratio ($\sim\atop{c}$). The force expression yields the correct behavior in several limiting cases considered: (i) inviscid bubble and droplets with R 0 /λ « 1, (ii) inviscid bubbles with finite R 0 /λ, and (iii) finite size rigid immovable particles. In general, while the monopole alone is sufficient to capture the force for small bubbles, higher-order terms are found to be important when R 0 /λ ≥ 0.02. In addition to reporting similar behavior for droplets, we study the effect arising from $\sim\atop{p}$, $\sim\atop{μ}$, $\sim\atop{c}$, and δ o /R 0 on the mean second-order force.

42 ENGINEERING↗
DOE OSTI2016

Turbulent eddies in a compressible jet in crossflow measured using pulse-burst particle image velocimetry

Pulse-burst Particle Image Velocimetry(PIV) has been employed to acquire time-resolved data at 25 kHz of a supersonic jet exhausting into a subsonic compressible crossflow. Data were acquired along the windward boundary of the jet shear layer and used to identify turbulenteddies as they convect downstream in the far-field of the interaction. Eddies were found to have a tendency to occur in closely spaced counter-rotating pairs and are routinely observed in the PIV movies, but the variable orientation of these pairs makes them difficult to detect statistically. Correlated counter-rotating vortices are more strongly observed to pass by at a larger spacing, both leading and trailing the reference eddy. This indicates the paired nature of the turbulenteddies and the tendency for these pairs to recur at repeatable spacing. Velocity spectra reveal a peak at a frequency consistent with this larger spacing between shear-layer vortices rotating with identical sign. The spatial scale of these vortices appears similar to previous observations of compressible jets in crossflow. Furthermore,super-sampled velocity spectra to 150 kHz reveal a power-law dependency of –5/3 in the inertial subrange as well as a –1 dependency at lower frequencies attributed to the scales of the dominant shear-layer eddies.

42 ENGINEERING↗
DOE OSTI2016

PIC simulation of compressive and rarefactive dust ion-acoustic solitary waves

The nonlinear propagations of dust ion-acoustic solitary waves in a collisionless four-component unmagnetized dusty plasma system containing nonextensive electrons, inertial negative ions, Maxwellian positive ions, and negatively charged static dust grains have been investigated by the particle-in-cell method. By comparing the simulation results with those obtained from the traditional reductive perturbation method, it is observed that the rarefactive KdV solitons propagate stably at a low amplitude, and when the amplitude is increased, the prime wave form evolves and then gradually breaks into several small amplitude solitary waves near the tail of soliton structure. The compressive KdV solitons propagate unstably and oscillation arises near the tail of soliton structure. The finite amplitude rarefactive and compressive Gardner solitons seem to propagate stably.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Shock compression experiments on Lithium Deuteride (LiD) single crystals

Shock compression experiments in the few hundred GPa (multi-Mbar) regime were performed on Lithium Deuteride single crystals. This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17–32 km/s. Measurements included pressure, density, and temperature between ~190 and 570 GPa along the Principal Hugoniot—the locus of end states achievable through compression by large amplitude shock waves—as well as pressure and density of reshock states up to ~920 GPa. As a result, the experimental measurements are compared with density functional theory calculations, tabular equation of state models, and legacy nuclear driven results that have been reanalyzed using modern equations of state for the shock wave standards used in the experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2017

An iterative forward analysis technique to determine the equation of state of dynamically compressed materials

Here, we developed an iterative forward analysis (IFA) technique with the ability to use hydrocode simulations as a fitting function for analysis of dynamic compression experiments. The IFA method optimizes over parameterized quantities in the hydrocode simulations, breaking the degeneracy of contributions to the measured material response. Velocity profiles from synthetic data generated using a hydrocode simulation are analyzed as a first-order validation of the technique. We also analyze multiple magnetically driven ramp compression experiments on copper and compare with more conventional techniques. Excellent agreement is obtained in both cases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

X-ray diffraction of ramp-compressed aluminum to 475 GPa

Here, we report on a series of experiments that use high-power lasers to ramp-compress aluminum (Al) up to 475 GPa. Under this quasi-isentropic compression, Al remains in the solid state and two solid–solid phase transformations are observed. In situ x-ray diffraction is performed to detect the crystal structure. A velocimetry diagnostic measures particle velocities in order to infer the pressure in the Al sample. We show that a solid–solid phase transition, consistent with a transformation to a hexagonal close-packed (hcp) structure, occurs at 216 ± 9 GPa. At higher pressures, a transformation to a structure consistent with the body-centered cubic (bcc) structure occurs at 321 ± 12 GPa. These phase transitions are also observed in 6061-O (annealed) Al alloy at 175 ± 9 GPa and 333 ± 11 GPa, respectively. Finally, correlations in the high-pressure crystallographic texture suggests the close-packed face-centered cubic (fcc) (111), hcp (002), and bcc (110) planes remain parallel through the solid–solid fcc–hcp and hcp–bcc transformations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗