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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Isotopic yields of Mg, Al from the carbon and neon zones in the explosion of a massive star

A model is developed for the nucleosynthetic yields from the supernova explosion of a massive star of the sort which has been proposed as the initiating event in the formation of the solar system by Cameron and Truran (1977). Calculations start with the Hugoniot curves, estimating the preshock conditions from a 25 solar masses model at the start of core collapse. It is shown that the products of static carbon burning dominate abundance patterns in the ejecta. Both explosive carbon burning and explosive neon burning contribute significantly to Al-26. The production of Al-26 in this model is consistent with the trigger hypothesis.

Morgan, J. A.↗
NASA NTRS1991

Fluid hydrogen at high density - Pressure dissociation

A model for the Helmholtz free energy of fluid hydrogen at high density and high temperature is developed. This model aims at describing both pressure and temperature dissociation and ionization and bears directly on equations of state of partially ionized plasmas, as encountered in astrophysical situations and high-pressure experiments. This paper focuses on a mixture of hydrogen atoms and molecules and is devoted to the study of the phenomenon of pressure dissociation at finite temperatures. In the present model, the strong interactions are described with realistic potentials and are computed with a modified Weeks-Chandler-Andersen fluid perturbation theory that reproduces Monte Carlo simulations to better than 3 percent. Theoretical Hugoniot curves derived from the model are in excellent agreement with experimental data.

Saumon, Didier↗
NASA NTRS1993

Magma ocean formation due to giant impacts

The thermal effects of giant impacts are studied by estimating the melt volume generated by the initial shock wave and corresponding magma ocean depths. Additionally, the effects of the planet's initial temperature on the generated melt volume are examined. The shock pressure required to completely melt the material is determined using the Hugoniot curve plotted in pressure-entropy space. Once the melting pressure is known, an impact melting model is used to estimate the radial distance melting occurred from the impact site. The melt region's geometry then determines the associated melt volume. The model is also used to estimate the partial melt volume. Magma ocean depths resulting from both excavated and retained melt are calculated, and the melt fraction not excavated during the formation of the crater is estimated. The fraction of a planet melted by the initial shock wave is also estimated using the model.

Tonks, W. B.↗
NASA NTRS1998

Physics of Interplanetary Dust Collection with Aerogel

This report presents the results of research undertaken to study various problems associated with hypervelocity capture of dust particles in aerogel. The primary topics investigated were the properties of shocked aerogel and the requirements for reliable capture of particles on the STARDUST mission. In particular, the viscosity of shocked aerogel has been an open question. The results presented here suggest that the viscosity of aerogel at high impact velocities is negligible, although there remains some uncertainty about lower velocities. The model adopted for viscosity treats the mixture of polymeric silica and decomposition products and finds that, for particle velocities of 6-7 km/s, the viscosity is similar to that typical of light gasses at STP. Expressions for the Hugoniot of aerogel as a function of density were also obtained from the available data. All aerogels of interest for cosmic dust collectors have very similar shock velocity-particle velocity Hugoniot curves. The strength behavior of aerogel for low-speed penetration was measured, but further work is needed to study the proper way to apply this to the issue of terminal deceleration of a dust particle. Preliminary calculations designed to maximize the penetration depths were performed to determine the required density of aerogel to reliably stop a particle in a 3 cm thickness of aerogel (the path length expected for a normal impact into the STARDUST collector). In order to stop a particle of density rho(sub p) and diameter d(sub p), the mean density of the aerogel collector should be no less than that given by the expression bar rho(sub 0) = 1.085 X 10(exp -4 )rho(sub p)d(sub p), for densities measured in g/ cu cm and the particle diameter measured in micrometers.

Anderson, William W.↗
DOE OSTI2025

Experimental Pathways for Detecting Double Superionicity in Planetary Ices

The ice giant planets Uranus and Neptune are assumed to contain large amounts of planetary ices such as water, methane, and ammonia. The properties of mixtures of such ices at the extreme pressures and temperatures of planetary interiors are not yet well understood. Ab initio computer simulations have predicted that a number of ices exhibit a hydrogen superionic state and a doubly superionic state. Since the latter state has not yet been generated with experiments, we outline here two possible pathways for reaching and detecting such a state with dynamic compression experiments. Here, we suggest X-ray diffraction as the principal tool for detecting when the material becomes doubly superionic and the sublattice of one of the heavy nuclei melts. That would require a temperature of ~3500 K and pressures greater than ~200 GPa for H 3 NO 4 , which we use as an example material here. Such conditions can be reached with experiments that employ an initial shock that is followed by a ramp compression wave. Alternatively, one may use triple-shock compression because a single shock does not yield sufficiently high densities.

Neptune↗
DOE OSTI2020

High-precision shock equation of state measurements for metallic fluid carbon between 15 and 20 Mbar

Diamond is an efficient ablator material to convert the energy of high-power giant lasers into ablation pressure with applications for High-Energy-Density (HED) science, planetary science, and Inertial Confinement Fusion (ICF) research at the National Ignition Facility (NIF). Unfortunately, current theoretical equation of state models cannot reproduce all the observed experimental data in the multi-megabar regime particularly relevant for HED and ICF research. New experimental data on the behavior of carbon at extreme pressures and temperatures are, therefore, essential to improve our predictive capability to design and analyze dynamic compression experiments for HED or ICF research and build improved equation of state models in the future. In this paper, we report high-precision laser-driven shock compression measurements on diamond single crystals at the Omega Laser Facility. Using ultrafast Doppler optical Velocimetry Interferometer System for Any Reflector (VISAR) to track the leading shock front and a quartz plate as an in situ reference, we obtain relative pressure-density shock equation-of-state measurements between 15 and 20 Mbar with an impedance-matching procedure. We also report shock-and-release measurements in a spherical geometry at the NIF. The new data provide tight constraints on the compressibility of warm dense carbon along the Hugoniot of full density diamond, allowing us to discriminate between existing theoretical equation-of-state models. We find that both LLNL LEOS 9061 and LANL Sesame 7835 models capture well the shock compressibility in the explored range. LANL Sesame 7835 also reproduces well the observed shock-and-release behavior of diamond near 10–20 Mbar.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Drive-pressure optimization in ramp-wave compression experiments through differential evolution

Ramp-wave dynamic-compression experiments are used to examine quasi-isentropic loading paths in materials. The gradual and continuous increase in pressure created by ramp waves make these types of experiments ideal for studying nonequilibrium material behavior, such as solidification kinetics. In ramp-wave compression experiments, the input drive pressure to the experimental setup may be exerted through one of a number of different mechanisms (e.g., magnetic fields, gas-gun-driven impactors, or high-energy lasers) and is generally required for simulating such experiments. Yet, regardless of the specific mechanism, this drive pressure cannot be measured directly (measurements are generally taken at a location near the back of the experimental setup through a transparent window), leading to an inverse problem where one must determine the drive pressure at the front of the experimental setup (i.e., the input) that corresponds to the particle velocity (the output) measured near the back of the experimental setup. Furthermore, we solve this inverse problem using a heuristic optimization algorithm, known as differential evolution, coupled with a multiphysics, hydrodynamics code that simulates the compression of the experimental setup. By running many rounds of forward simulations of the experimental setup, our optimization process iteratively searches for a drive pressure that is optimized to closely reproduce the experimentally measured particle velocity near the back of the experimental setup. While our optimization methodology requires a significant number of hydrodynamics simulations to be conducted, many of these can be performed in parallel, which greatly reduces the time cost of our methodology. One novel aspect of our method for determining the drive pressure is that it does not require physical modeling of the drive mechanism and can thus be broadly applied to many types of ramp-compression experiments, regardless of the drive mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

A theoretical approach for transient shock strengthening in high-energy-density laser compression experiments

In high-energy-density shock compression experiments, the desired state of compression is typically achieved by passing shock waves through a sequence of different materials. Here, a theoretical approach for transiently strengthening such shocks passing through interfaces of experimentally relevant impedance ratios is examined. A semi-analytical method based on characteristics analysis is used to solve the problem of a shock passing from one material to another through an intermediate region of non-uniform impedance; by appropriately designing this region, a greater shock strength can be achieved in the second material for a finite duration than in the absence of this region. When a shock passes into a material of higher impedance, the shock strengthening increases to a maximum before decreasing to an asymptotic value as the strength of the incident shock is increased. For shocks passing into materials of decreasing impedance, the shock strengthening increases monotonically as the strength of the incident shock is increased when the impedance ratio is above a critical threshold. Incorporating multiple intermediate materials can further increase the strength of the transmitted shock, with an exponential discretization of intermediate material impedances being the most effective distribution for strengthening strong shocks. The results suggest that up to 25% and 9% increases in pressure behind the leading shock can be achieved for materials of increasing and decreasing impedance, respectively. The technique is applied to the design of laser-driven dynamic compression experiments, and the results of the analysis are verified via comparison to simulations performed with the HYADES hydrodynamics code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Near-optimal combination of high performance and insensitivity in a shock compressed high explosive single crystal

Achieving the desired combination of superior detonation performance and insensitivity to shock initiation has been a long-standing goal in high explosive (HE) science and technology. Having previously established the shock insensitivity of 1,1-diamino-2,2-dinitroethene (also known as DADNE or FOX-7) single crystals to 20 GPa (extended to 25 GPa in this work), the FOX-7 detonation response was determined through wave profile measurements in ~250 μm thick single crystals shock compressed to 64 GPa. Quite unexpectedly, FOX-7 demonstrated the classic Chapman–Jouguet (C–J) detonation response—reaction completion in the detonation front (<0.7 ns) at pressures of 44 GPa and higher—not observed in other insensitive high explosives. Here, the experimentally determined C–J pressure (35 GPa), detonation wave velocities and the detonation products equation of state—together with shock insensitivity to 25 GPa—demonstrate that FOX-7 single crystals display a near-optimal combination of high performance and shock insensitivity, not observed in another HE crystal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Phase transitions in Zr at sub-nanosecond time scales

Here solid-solid phase transitions are investigated in Zr thin films using shock compression induced by a short laser pulse (<1 ns). Shock wave profiles are measured at free surfaces for films of different thicknesses (a few micrometers) using chirped-pulse line velocimetry with 10 ps time resolution. Experiments are performed at pressures up to ~50 GPa, which is sufficient to reach the ω and β phases under equilibrium conditions. The shock wave structures are analyzed using a general Lagrangian analysis method, which allows for the calculation of stress–strain paths and assessments of phase transition behavior. In agreement with recent short laser pulse experiments using ultra-fast x-ray diffraction, we do not find any clear evidence of the α–ω transition, though this would be expected from the phase diagram. Instead, we infer a direct transformation to a metastable β-phase at lower shock pressures (<20 GPa) and equilibrium β at higher pressures. Through the velocimetry analysis, we find α–β transformation onset times of less than ~100 ps and completion times of less than ~200 ps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Shock-induced chemical decomposition and overdriven detonation in hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) single crystals

Understanding the differences in the shock compression and detonation response of insensitive high explosives (IHEs) and conventional HEs (CHEs) is a long-standing need in HE science and technology. Having previously examined 1,1-diamino-2,2-dinitroethene (FOX-7) IHE single crystals, the shock and detonation response of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX)—a widely used CHE—was determined using wave profile measurements in ~250 μm thick single crystals shock compressed to 63 GPa. In marked contrast to FOX-7, RDX single crystals shocked along the [100] and [111] orientations showed wave profile features consistent with chemical decomposition onset at 15 GPa. These features were more pronounced for [100] RDX, suggesting a higher decomposition rate compared to [111] RDX. At 51 GPa and above, flat-topped single waves were observed for both orientations, showing the classic Chapman–Jouget (C–J) detonation response in which the decomposition is completed within the detonation front. The Hugoniot states and sound speeds determined for the detonation products were similar for both [100] and [111] orientations, showing that the overdriven detonation response for RDX does not depend on crystal orientation. The C–J pressure for RDX single crystals (35 GPa)—determined experimentally—is comparable to that of FOX-7. However, compared to FOX-7, chemical decomposition onset for RDX occurs at much lower pressures and the overdriven C–J detonation response occurs at higher pressures. Lastly, the present findings constitute the first experimental comparison of the shock and detonation response of conventional and insensitive HE single crystals over a broad pressure range below and above the C–J pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Hugoniot properties of porous stainless steel: Insights from molecular dynamics simulations

Here, we present a systematic study of Hugoniot properties of porous 316L stainless steel using both a simple interpolation scheme and direct shock simulations in order to probe pore collapse kinetics as well as final thermodynamic states. Both methods indicate that equilibrated Hugoniot properties depend on pore density only and not on the pore distribution or size. We then create a simple porous equation of state model that is shown to be accurate for a range of validation data. This allows us to extend our simulations to make direct comparison to experimental data that have generally significantly larger system sizes and durations. In addition, our direct shock simulations indicate that the relaxation time after hotspot formation is system size dependent and can reach nanosecond timescales for the largest pores investigated in our study, thereby possibly having a measurable effect on fast dynamic loading experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Shock Hugoniot calculations using on-the-fly machine learned force fields with ab initio accuracy

We present a framework for computing the shock Hugoniot using on-the-fly machine learned force field (MLFF) molecular dynamics simulations. In particular, we employ an MLFF model based on the kernel method and Bayesian linear regression to compute the free energy, atomic forces, and pressure, in conjunction with a linear regression model between the internal and free energies to compute the internal energy, with all training data generated from Kohn–Sham density functional theory (DFT). We verify the accuracy of the formalism by comparing the Hugoniot for carbon with recent Kohn–Sham DFT results in the literature. In so doing, we demonstrate that Kohn–Sham calculations for the Hugoniot can be accelerated by up to two orders of magnitude, while retaining ab initio accuracy. We apply this framework to calculate the Hugoniots of 14 materials in the FPEOS database, comprising 9 single elements and 5 compounds, between temperatures of 10 kK and 2 MK. We find good agreement with first principles results in the literature while providing tighter error bars. In addition, we confirm that the inter-element interaction in compounds decreases with temperature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Continuum shock mixture models for Ni+Al multilayers: Individual layers and bulk equations of state

Continuum shock mixture models are reviewed and applied to determine the equations of state for five different compositions of Ni x Al y ⁠, as well as bulk Ni+Al reactive multilayers, by combining the fundamental property data for elemental nickel and aluminum. From the literature, we down-select and evaluate two analytical models for the mixture Hugoniot, i.e., the well-known method of kinetic energy averaging (KEA) and a recent model proposed by Jordan and Baer [J. Appl. Phys. 111, 083516 (2012)]. Fundamentally, the former method assumes pressure equilibrium, whereas the latter assumes a common particle velocity and mixture sound speed from compressible two-phase cavitating flows. Additionally, we construct thermodynamically complete equations of state by fitting Einstein oscillator series models for the specific heat at constant volume. Finally, the solid solution approximation is invoked for intermetallic compositions, which are not strictly physical mixtures. Overall, the KEA model provides a better fit to the available Ni x Al y and Ni+Al multilayer shock compression data; however, there are combinations of material properties where the performance of these two models is thought to be reversed. Moreover, the results of this work include the first analytical solution of Jordan–Baer that does not require numerical root finding, as well as proposed modifications to the Einstein oscillator series to incorporate some effects of local pressure–temperature equilibrium and reaction–diffusion. Future work is planned that will use these equations of state in mesoscale simulations to study shock-induced reaction in Ni+Al multilayers, and the intended application is illustrated with a brief 2D hydrocode example.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Simultaneous inference of equation of state parameters and unknown data errors with uncertainty quantification via hierarchical Bayesian posterior maximization

Equations of state (EOSs) are a key component in running hydrodynamic simulations as they relate the thermodynamic states for the material. The Davis reactants EOS is commonly used for modeling high explosives (HEs), and the EOS model parameters are calibrated using material specific data. The calibrations are often performed with uncertainty quantification via Bayesian inference to account for uncertainty in the data and generate ensembles of likely parameters. However, there are relatively few HE data sets to use for calibration and many are historical and lack error information. In this work, we simultaneously calibrate the Davis reactants EOS model parameters and unknown data error terms for the high explosive PBX 9501. To quantify the uncertainty in the models and the data, we use a Bayesian framework for the calibration and compute the hierarchical Bayesian posterior distribution with both a posteriori maximization approach and Markov Chain Monte Carlo. In general, we find that, given our assumptions, the two approaches result in similar calibrated parameters, posterior covariance matrices, and insights about the parameters but that the posterior maximization requires far less computational resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Bridging material models across scales: An integrated approach to equation of state and molecular dynamics modeling of copper

New uncertainty-aware equation of state (EOS) and electrical conductivity (EC) models for copper have been developed. The multiphase EOS/EC models are fit to experimental solid/liquid EC isobar measurements as well as density-functional theory molecular dynamics (DFT-MD) EC calculations in both expanded and compressed regimes (0.1–16 g/ cm 3 ⁠). The liquid and solid EOS phases were fit to available experimental data along with additional DFT-MD data over the same range as the EC. Leveraging the DFT-MD data, a corresponding machine-learned interatomic potential (MLIAP) for copper was trained using genetic-algorithm optimization. The copper MLIAP was constrained by EOS shock points at high compressions. The final EOS bounded MLIAP proves to be stable over a large density range (approximately 0.1–20 g/ cm 3 ) with good agreement to an isothermal compression curve, shock Hugoniot, and liquid speed of sound measurements at high pressures (100s of GPa).

Acoustic measurements and instrumentation↗
DOE OSTI2026

Calculating shock Hugoniot and isentropes using multiphase equation of state tables and application to shock and release of diamond ablators in inertial confinement fusion implosions

Advances in shock and ramp compression techniques now allow experimental access to unprecedented extreme conditions of pressure and temperature, providing a means to test theoretical models. Here, we describe a simple methodology to compute multi-phase shock Hugoniot and isentropes using multiphase equation of state tables. We treat explicitly the phase coexistence along the phase boundary to reveal the evolution of the sample as it undergoes the phase transformation in adiabatic conditions. We illustrate the method by calculating the predicted shock and shock-and-release behavior of diamond at conditions relevant for the initial stage of inertial confinement fusion implosions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Platform for 100 s Mbar equation of state measurements on the National Ignition Facility

Equation of state (EOS) measurements in the 100 s Mbar range are needed to underwrite models employed in the simulation of high energy density plasmas. To this end, a platform has been developed for fielding on the National Ignition Facility, capable of producing high-quality impedance match EOS data, wherein a planar, high-pressure, steady shock is driven into a sample package, and sample and reference standard shock velocities are measured. This platform, dubbed planar high pressure, or PHP, was fielded with an initial proof-of-concept shot in January 2023. The first PHP shot, aiming to study gold, demonstrated a pressure close to 400 Mbar, two orders of magnitude higher than previously reported gold EOS data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗