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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
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 OSTI2021

Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures

Abstract We present structure and equation of state (EOS) measurements of biaxially orientated polyethylene terephthalate (PET, $$({\hbox {C}}_{10} {\hbox {H}}_8 {\hbox {O}}_4)_n$$ ( C 10 H 8 O 4 ) n , also called mylar) shock-compressed to ( $$155 \pm 20$$ 155 ± 20 ) GPa and ( $$6000 \pm 1000$$ 6000 ± 1000 ) K using in situ X-ray diffraction, Doppler velocimetry, and optical pyrometry. Comparing to density functional theory molecular dynamics (DFT-MD) simulations, we find a highly correlated liquid at conditions differing from predictions by some equations of state tables, which underlines the influence of complex chemical interactions in this regime. EOS calculations from ab initio DFT-MD simulations and shock Hugoniot measurements of density, pressure and temperature confirm the discrepancy to these tables and present an experimentally benchmarked correction to the description of PET as an exemplary material to represent the mixture of light elements at planetary interior conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction

Abstract Lattice and electronic structure interactions for f -electrons are fundamental challenges for lanthanide equation of state development. Difficulties in first-principles calculations, such as density functional theory (DFT), emphasize the need for well-characterized experimental data. Here, we measure in-situ x-ray diffraction of shocked samarium (Sm) and temperature along the Hugoniot for the first time, providing direct evidence for phase transitions. We report direct evidence of a distorted fcc (dfcc) phase at 23 GPa. Shocked samarium melts from the dfcc phase starting at 33 GPa (1333 K), with complete melt at 40 GPa (1468 K). Previous work indicated shock melt at 27 GPa (1200 K), underscoring the significance of x-ray measurements for detecting phase transitions. Interestingly, our observed melting is in sharp contrast with the melting reported by a diamond anvil cell study. These experimental data can tightly constrain first principles calculations and serve as key touchstones for equation of state modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Release dynamics of nanodiamonds created by laser-driven shock-compression of polyethylene terephthalate

Laser-driven dynamic compression experiments of plastic materials have found surprisingly fast formation of nanodiamonds (ND) via X-ray probing. This mechanism is relevant for planetary models, but could also open efficient synthesis routes for tailored NDs. We investigate the release mechanics of compressed NDs by molecular dynamics simulation of the isotropic expansion of finite size diamond from different P-T states. Analysing the structural integrity along different release paths via molecular dynamic simulations, we found substantial disintegration rates upon shock release, increasing with the on-Hugnoiot shock temperature. We also find that recrystallization can occur after the expansion and hence during the release, depending on subsequent cooling mechanisms. Our study suggests higher ND recovery rates from off-Hugoniot states, e.g., via double-shocks, due to faster cooling. Laser-driven shock compression experiments of polyethylene terephthalate (PET) samples with in situ X-ray probing at the simulated conditions found diamond signal that persists up to 11 ns after breakout. In the diffraction pattern, we observed peak shifts, which we attribute to thermal expansion of the NDs and thus a total release of pressure, which indicates the stability of the released NDs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Data-driven picosecond X-ray imaging for quantitative plasma-induced shock characterization

Imaging dynamic events, especially shockwave behavior, is key to advancing high-energy-density (HED) research. Recent advances in fourth- and fifth-generation X-ray light sources allow for high-resolution imaging of fast phenomena, but limited beam time necessitates maximizing data acquisition. We present a benchtop-scale pulsed plasma device submerged in liquid heptane, capable of generating dynamic events at rates exceeding 10 Hz, supporting the field’s data-driven goals by producing large, high-quality imaging datasets. Using X-ray phase contrast imaging (XPCI) at the Advanced Photon Source, we imaged weak shockwaves (Mach ~ 1.2) in heptane interacting with plasma-induced cavitation bubbles, causing deviation from Rankine-Hugoniot behavior; to our knowledge, this represents the first direct imaging of such interaction. Our quantitative analysis offers insight into weak shock phenomena and energy-focusing applications in pulsed plasmas. These results highlight the potential for large datasets to advance dynamic HED research at current light source facilities, and have implications for fields such as inertial confinement fusion, plasma-enhanced chemical processing, and biomedical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Stability analysis of the Eulerian–Lagrangian finite volume methods for nonlinear hyperbolic equations in one space dimension

In this paper, we construct a novel Eulerian–Lagrangian finite volume (ELFV) method for nonlinear scalar hyperbolic equations in one space dimension. It is well known that the exact solutions to such problems may contain shocks though the initial conditions are smooth, and direct numerical methods may suffer from restricted time step sizes. To relieve the restriction, we propose an ELFV method, where the space-time domain was separated by the partition lines originated from the cell interfaces whose slopes are obtained following the Rakine–Hugoniot junmp condition. Unfortunately, to avoid the intersection of the partition lines, the time step sizes are still limited. To fix this gap, we detect effective troubled cells (ETCs) and carefully design the influence region of each ETC, within which the partitioned space-time regions are merged together to form a new one. Then with the new partition of the space-time domain, we theoretically prove that the proposed first-order scheme with Euler forward time discretization is total-variation-diminishing and maximum-principle-preserving with at least twice larger time step constraints than the classical first order Eulerian method for Burgers’ equation. Numerical experiments verify the optimality of the designed time step sizes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Shock compression response of an insensitive high explosive single crystal: 1,1-diamino-2,2-dinitroethene (FOX-7)

Insensitive high explosives (IHEs) – that do not compromise performance – are of immense interest as a safer alternative to conventional high explosives, such as pentaerythritol tetranitrate (PETN) and cyclotrimethylenetrinitramine (RDX). Despite the strong interest in using IHEs, shock compression experiments on IHE single crystals have not been reported. To address this need, plate impact experiments were conducted to measure wave profiles in 1,1-diamino-2,2-dinitroethene (FOX-7) single crystals – a representative IHE crystal – shocked to 21 GPa longitudinal stress. Particle velocity histories, measured using laser interferometry, show a clear two-wave structure (elastic-inelastic response) at modest stresses (<3.8 GPa). Wave profiles at higher stresses show a single (overdriven) wave. Measured shock velocities and wave profiles provide accurate Hugoniot data to 21 GPa. The measured wave profiles to 21 GPa show no sign of energy release due to chemical decomposition and constitute the first demonstration of an IHE single crystal insensitivity under plane shock compression. Numerical simulations using a phenomenological material model developed for FOX-7 showed good agreement with the measured wave profiles. The experimental results and continuum simulations presented here constitute a significant first step in gaining insight into the shock compression response of IHE single crystals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Dynamic experiments to study the α - ε phase transition in cerium

The ability to understand and predict the response of matter at extreme conditions requires knowledge of a material’s equation-of-state including the location of phase boundaries, transition kinetics, and the evolution of material strength. Cerium is a material with a complex phase diagram that continues to attract significant scientific interest. Recent dynamic experiments have provided information on the low-pressure γ–α phase transition, sound speed, and Hugoniot data for the higher-pressure α phase, as well as the incipient shock melt transition. Despite these efforts, there are still regions of the phase diagram that are largely unexplored dynamically, including the high-pressure region below the melt boundary. Along a room temperature isotherm, diamond anvil cell data report a transition to the ϵ phase between 13 and 17 GPa. At higher temperatures, similar diamond anvil cell data show significant disagreement regarding the existence, location, and slope of the ϵ-phase boundary. In this work, double-shock loading was used to access the α–ϵ region of the phase diagram to obtain equation-of-state information and to determine the location of the ϵ-phase boundary for shock loading.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Shock initiation of the HMX-based explosive PBX 9012: Experiments, uncertainty analysis, and unreacted equation-of-state

In this study, shock initiation experiments have been carried out on the polymer-bonded explosive PBX 9012 [nominally 90% octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazine (HMX), 10% vinylidene–hexafluoropropylene copolymer (Viton A) by weight] in order to provide calibration data for the explosive’s unreacted equation-of-state (EOS) and shock-to-detonation transition for reactive burn rate calibration. The input pressures covered the range of 1.86–4.43 GPa. This provided run-to-detonation depths ranging from > 22.3 mm for the lowest pressure shot to 4.91 mm at the highest pressure. The relative shock sensitivity of PBX 9012 is compared to other HMX-explosives in terms of the Pop-plot, showing that the studied explosive is more sensitive than other similar HMX-based counterparts (with notable exceptions). The uncertainty in the shock velocity determinations from the shock tracker measurements are also investigated, yielding new uncertainty measures in the generated Hugoniot data and run-to-detonation coordinates. Finally, the unreacted equation-of-state is determined using a linear U s – u p Mie–Grüneisen relation and the Davis reactants EOS analytical form, the latter being more suited for reactive burn modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reshock analysis for PMMA driven above the threshold for chemical decomposition

Polymethyl methacrylate (PMMA) is a transparent thermoplastic often used in shock compression science. Previous proceedings (AIP Conf. Proc. 845, 131 (2006)) described plate impact experiments in which PMMA was reshocked to pressures of up to ~130 GPa, well above that at which it decomposes on its principal Hugoniot. Because some of the conclusions of the original analysis were surprising, the results were reanalyzed in a later proceeding (ibid. 1426, 771 (2012)). In addition to our own reanalysis of the data, we performed hydrodynamic simulations of the experiments based on a new equation of state for PMMA shocked above its threshold for decomposition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

First-principles equations of state and structures of liquid metals in multi-megabar conditions

Liquid metals at extreme pressures and temperatures are widely interested in the high-pressure community. Based on density functional theory molecular dynamics, we conduct first-principles investigations on the equation of state ( EOS) and structures of four metals (Cu, Fe, Pb, and Sn) at 1.5–5 megabar conditions and 5 × 10 3 –4 × 10 4 K. Our first-principles EOS data enable evaluating the performance of four EOS models in predicting Hugoniot densities and temperatures of the four systems. We find the melting temperature of Cu is 1000–2000 K higher and shows a similar Clapeyron slope, in comparison to those of Fe. Our structure, coordination number, and diffusivity analysis indicates all the four liquid metals form similar simple close-packed structures. Our results set theoretical benchmarks for EOS development and structures of metals in their liquid states and under dynamic compression.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Equation of state for 304L stainless steel

Here, a new equation of state for 304L stainless steel has been constructed and entered in the Los Alamos National Laboratory SESAME database with material ID 4273. The equation of state is based on a multiphase approach. The solid and liquid phases were fitted to available experimental data for thermal expansion, heat capacity, and shock Hugoniot, as well as to data from density functional theory calculations of the cold curve and quantum molecular dynamics of the liquid regime. The electronic thermal contribution over the entire equation of state range is based on Tartarus (Green’s functions) average atom calculations. For this low-carbon stainless steel both the density functional and electronic thermal calculations are comprised of 19 wt% Cr, 10 wt% Ni, and the remainder Fe.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Numerical simulations of the Los Alamos gapstick experiment

The gapstick is a high explosive (HE) sensitivity test recently developed at Los Alamos. The experiment design was motivated by the traditional gap test and consists of a series of HE and inert pellets in a rate stick configuration. The inert pellets are made increasingly longer so that eventually the attenuated shock is unable to initiate the next HE pellet. While the gapstick is a mechanically simple experiment it poses several challenges for numerical simulation. In particular, accurately modeling the HE initiation and detonation phenomena requires a reactive burn model with sufficient mesh resolution to capture the reaction scales. In this work, the Scaled Uniform Reactive Front (SURF) and Arrhenius Wescott-Stewart-Davis (AWSD) burn models are used for simulations of a PBX 9501 (95 wt% HMX, 5% binder) gapstick. Furthermore, the material model for the inert pellet material, Polyvinylidene Fluoride (PVDF), has a direct influence on the shock propagation and a new equation of state (EOS) calibration for PVDF is developed using available Hugoniot data. Despite some challenges, the simulations are able to reasonably predict shock transit velocities and detonation failure in the gapstick.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Temperature and density dependent pair potential for deuterium under shock

Large-scale classical molecular dynamics (CMD) simulations naturally include the microscopic physics necessary for atomistic modeling of shock release at the ablator-fuel interface in an inertial confinement fusion (ICF) capsule. Here, the multi-megabar shocks utilized in ICF experiments can drive the deuterium fuel from ambient to electron volt temperatures (T) and multi-fold compression. Modeling interatomic interactions over such an extreme range of conditions is challenging for empirical bond order potentials. We generate a pair potential for deuterium with explicit temperature and mass density dependence from ab initio density functional theory molecular dynamics using the iterative Boltzmann inversion method. This potential accurately reproduces the radial distribution functions and pressures from DFT in CMD equilibrium simulations across a wide range of thermodynamic conditions, yet fails to return the expected Hugoniot relations when used in direct CMD shock simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Shock compression of molybdenum single crystals to 110 GPa: Elastic–plastic deformation and crystal anisotropy

To explore the role of crystal anisotropy on the elastic-plastic deformation of BCC single crystals at high shock stresses, molybdenum (Mo) single crystals were shock compressed along [100], [111], and [110] orientations at elastic impact stresses between 20 and 110 GPa. Laser interferometry was used to measure shock wave velocities and particle velocity histories. Along the [100] and [111] orientations, elastic-plastic waves (two wave structure) were observed up to 110 GPa. Along the [110] orientation, the two wave structure was observed only up to 90 GPa. The measured elastic wave amplitudes were analyzed to determine crystal anisotropy effects, impact stress dependence, and the activated slip systems on the Hugoniot elastic limit. The results from our work have provided insight into the role of crystal anisotropy on the elastic-plastic deformation under shock compression at high stresses.

42 ENGINEERING↗
DOE OSTI2021

Shock-ramp analysis test problem

Quasi-isentropic (ramp) compression is now a well-established experimental method and so are the analysis techniques to give Lagrangian sound speed, pressure, and density along the sample material's isentrope. A shock followed by ramp compression is a natural extension to investigate, for example, shock melt and refreeze on compression, or isentropes of states off the Hugoniot or principal isentrope. In practice, graded-density impactors produce initial shocks, compression by shaped laser pulses may be unable to produce a smooth pressure increase from zero, and incidental perturbations on the drive pulse may also give rise to shocks, so robust shock-ramp analysis methods will be needed. Appropriate analysis methods are needed for shock-ramp experiments, based on those for quasi-isentropic compression, and these require validation. This paper describes three different analyses of a shock-ramp test problem, including an assessment of their estimated errors. The methods tested were based on hydrodynamic characteristics or integration backward in space. All methods gave the known Lagrangian sound speed to within ~1%, and pressure and volume to within less than 2% and 1%, demonstrating that the analysis methods of isentropic compression experiments can be confidently extended to the analysis of shock and ramp compression.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Probing the properties and mechanisms of failure waves in soda-lime glass

Soda-lime glass (SLG) and other silica glasses exhibit the failure wave phenomenon under shock compression. The mechanism responsible for this peculiar behavior of glasses is still unresolved. In this study, a series of plate impact experiments was performed at three different impact stresses of 6.4, 8.3, and 10.8 GPa to better understand the mechanisms underlying the failure wave phenomenon. Specifically, spall experiments were conducted to probe the speed and existence of failure waves at different stresses in SLG. A layered glass target was used to probe the possibility of a “renucleation” of the wave at the SLG–SLG interface. When it existed, the failure wave was inferred to propagate at a speed of 1.3 km/s. However, it was observed that the failure wave phenomenon ceases to exist for impact stresses higher than 10 GPa. In experiments with a 6.4 GPa impact stress, the peak free surface velocity was significantly less than what is predicted by stress-Hugoniot calculations. This velocity deficit and other important features of the measured free surface velocity profiles were simulated using finite element analysis by incorporating an abrupt densification of SLG at a critical stress in the equation of state. Furthermore, this densification feature is similar to what would be expected of a phase transition. Although unable to unambiguously reveal the mechanism causing the failure wave phenomenon, the results of the present work clearly indicate that the failure wave causes a secondary compression and densification in SLG.

36 MATERIALS SCIENCE↗