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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantifying motion blur by imaging shock front propagation with broadband and narrowband X-ray sources

Time-integrated radiography using MeV Bremsstrahlung X-ray sources is the norm for imaging during system-level testing of components and structures under dynamic condition. One source of error in the analysis of the time-integrated radiography data sets stems from motion blur which smears out sharp interfaces to a greater degree with longer exposure times, which become necessary to provide sufficient signal-to-noise with low X-ray penetration of objects of interest. To quantify motion blur, a 1D shock wave through PMMA was investigated experimentally at The Dynamic Compression Sector at The Advanced Photon Source (DCS@APS) with tapered broadband and 25.46 ± 1.06 keV narrowband X-rays. Four cameras with different exposure times were used for each experiment to compare the effect that exposure time has on motion blur. In addition, our methodology to accurately simulate motion blur in terms of transmission and shape is presented and compared to our experimental results and quantified. There is a high level of agreement between the experimental and simulation results across the range of data sets investigated in this study with a percent difference range of 0.29–1.31% for the four shots. The methodology of this work serves as a steppingstone towards a physically validated model that could be used in conjunction with experimental results to deconvolve physical parameters, densities, and interfaces of interest in a way that would not be possible with experimental results alone.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Measurement of diamond nucleation rates from hydrocarbons at conditions comparable to the interiors of icy giant planets

We present measurements of the nucleation rate into a diamond lattice in dynamically compressed polystyrene obtained in a pump-probe experiment using a high-energy laser system and in situ femtosecond x-ray diffraction. Different temperature-pressure conditions that occur in planetary interiors were probed. For a single shock reaching 70 GPa and 3000 K no diamond formation was observed, while with a double shock driving polystyrene to pressures around 150 GPa and temperatures around 5000 K nucleation rates between 10 29 and 10 34 m –3 s –1 were recorded. These nucleation rates do not agree with predictions of the state-of-the-art theoretical models for carbon-hydrogen mixtures by many orders of magnitude. Our data suggest that there is significant diamond formation to be expected inside icy giant planets like Neptune and Uranus.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Ti-6Al-4V to over 1.2 TPa: Shock Hugoniot experiments, ab initio calculations, and a broad-range multiphase equation of state

Titanium alloys are used in a large array of applications. In this work we focus our attention on the most used alloy, Ti-6Al-4V (Ti64), which has excellent mechanical and biocompatibility properties with applications in aerospace, defense, biomedical, and other fields. Here we present high-fidelity experimental shock compression data measured on Sandia’s Z machine. We extend the principal shock Hugoniot for Ti64 to more than threefold compression, up to over 1.2 TPa. We use the data to validate our ab initio molecular dynamics simulations and to develop a highly reliable, multiphase equation of state (EOS) for Ti64, spanning a broad range of temperature and pressures. The first-principles simulations show very good agreement with Z data and with previous three-stage gas gun data from Sandia’s STAR facility. The resulting principal Hugoniot and the broad-range EOS and phase diagram up to 10 TPa and 10 5 K are suitable for use in shock experiments and in hydrodynamic simulations. The high-precision experimental results and high-fidelity simulations demonstrate that the Hugoniot of the Ti64 alloy is stiffer than that of pure Ti and reveal that Ti64 melts on the Hugoniot at a significantly lower pressure and temperature than previously modeled.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Hugoniot, sound speed, and phase transitions of single-crystal sapphire for pressures 0.2–2.1 TPa

Sapphire (Al 2 O 3 ) is a major constituent of the Earth's mantle and has significant contributions to the field of high-pressure physics. Constraining its Hugoniot over a wide pressure range and identifying the location of shock-driven phase transitions allows for development of a multiphase equation of state and enables its use as an impedance-matching standard in shock physics experiments. In this paper we present measurements of the principal Hugoniot and sound velocity from direct impact experiments using magnetically launched flyers on the Z machine at Sandia National Laboratories. The Hugoniot was constrained for pressures from 0.2–2.1 TPa and a four-segment piecewise linear shock-velocity–particle-velocity fit was determined. First-principles molecular dynamics simulations were conducted and agree well with the experimental Hugoniot. Sound-speed measurements identified the onset of melt between 450 and 530 GPa, and the Hugoniot fit refined the onset to 525 ± 13 GPa. A phase diagram which incorporates literature diamond-anvil cell data and melting measurements is presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Pressure Response Optimization of an Eddy Current-Driven Flyer Plate Valve for the ITER Shattered Pellet Injection System

One technique for mitigating disruptions in a tokamak is shattered pellet injection (SPI). SPI is a process in which a large solid pellet consisting of deuterium, neon, or argon is desublimated in a pipe gun barsrel and launched downstream. Pellets are shattered just before entering the plasma by an impact with an angled tube. Injection of these materials into the plasma radiates stored thermal energy, limits current decay rates, suppresses the generation of runaway electrons, and dissipates runaway electrons if necessary. A critical element of the SPI system is a fast-acting valve that releases high-pressure gas to dislodge and accelerate pellets directly, or indirectly via a mechanical punch. A prototype valve sized for the ITER SPI system has been designed and fabricated. A pulsed high-voltage power supply energizes the valve’s internal magnetic coil, which induces eddy currents in the adjacent flyer plate resulting in a repulsive force between the flyer plate and the coil. The flyer plate action lifts a valve seat, allowing high-pressure gas to flow from the valve plenum to the downstream (breech) location of the pellet or mechanical punch. All of the valve’s internal components are designed to operate in ITER-level static background magnetic fields. Here, a study was conducted to optimize the downstream pressure response for a range of valve sizes and operating pressures. In particular, the study analyzes the breech pressure response associated with varying plenum pressures as well as varying breech volumes. A computational fluid dynamics simulation was built in STAR-CCM+ and validated against data from laboratory experiments. The resulting simulation outputs, in the form of downstream responses for a variety of initial plenum pressures and breech volumes, will be used as a complement to experimental data to ensure the pressure pulse is suitable for pellet survivability. These data, combined with studies on pellet shear strength and shock response, will be applied to optimization of overall operating parameters of the ITER SPI system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Mode-Selective Vibrational Energy Transfer Dynamics in 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) Thin Films

The coupling of inter- and intramolecular vibrations plays a critical role in initiating chemistry during the shock-to-detonation transition in energetic materials. In this work, we report on the subpicosecond to subnanosecond vibrational energy transfer (VET) dynamics of the solid energetic material 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) by using broadband, ultrafast infrared transient absorption spectroscopy. Experiments reveal VET occurring on three distinct time scales: subpicosecond, 5 ps, and 200 ps. The ultrafast appearance of signal at all probed modes in the mid-infrared suggests strong anharmonic coupling of all vibrations in the solid, whereas the long-lived evolution demonstrates that VET is incomplete, and thus thermal equilibrium is not attained, even on the 100 ps time scale. Density functional theory and classical molecular dynamics simulations provide valuable insights into the experimental observations, revealing compression-insensitive time scales for the initial VET dynamics of high-frequency vibrations and drastically extended relaxation times for low-frequency phonon modes under lattice compression. Mode selectivity of the longest dynamics suggests coupling of the N–N and axial NO2 stretching modes with the long-lived, excited phonon bath.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Diamond under extremes

Diamond is, by virtue of the covalent bonding between atoms and the very strong carbon to carbon bonds, the hardest natural material. It has been a fascinating material since its discovery, first as a decorative gem and more recently, for its numerous industrial uses because of its extreme hardness, elastic modulus, and optical transparency. In recent years, it has become a preferred ablator for laser shock experiments, and this has led to its choice as the capsule material for fusion experiments at the National Ignition Facility. Further, this review covers both experimental and computational (including machine learning) advancements in research on diamond subjected extreme conditions of temperature and pressure. The synergy between shock and ramp loading experiments and atomic level simulations is proving to be powerful in advancing our understanding of diamond under extremes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Shock wave bending around a dusty plasma void

We report on experimental observations of the bending of a dust acoustic shock wave around a dust void region. This phenomenon occurs as a planar shock wavefront encounters a compressible obstacle in the form of a void whose size is larger than the wavelength of the wave. As they collide, the central portion of the wavefront, that is the first to touch the void, is blocked while the rest of the front continues to propagate, resulting in an inward bending of the shock wave. The bent shock wave eventually collapses, leading to the transient trapping of dust particles in the void. Subsequently, a Coulomb explosion of the trapped particles generates a bow shock. The experiments have been carried out in a Direct Current (DC) glow discharge plasma, where the shock wave and the void are simultaneously created as self-excited modes of a three-dimensional dust cloud. The salient features of this phenomenon are reproduced in molecular dynamics simulations, which provide valuable insights into the underlying dynamics of this interaction.

Dust acoustic waves↗
DOE OSTI2026

Compression rate effects on the Bi-III stability field in dynamic diamond anvil cell XFEL studies of bismuth

This study aims to resolve conflicting observations of bismuth’s high-pressure phase transitions across static, intermediate, and shock compression regimes. We probed its high-pressure structural sequence using the dynamic diamond anvil cell with and time-resolved X-ray diffraction with microsecond resolution at an X-ray free-electron laser. At room temperature and pressures up to 20 gigapascals, bismuth evolves through the same structural sequence previously identified under static compression. However, the transformation behavior differs in important ways under dynamic loading. In particular, the transition from the incommensurate intermediate-pressure phase to the high symmetry high pressure phase begins at pressures about 2 to 4 gigapascals lower than in static experiments, and the onset of this transformation depends on the compression rate. As a result, the stability field of the intermediate-pressure phase is reduced under rapid compression. Our results suggest that at sufficiently fast loading rates the intermediate phase may be bypassed entirely, consistent with previous shock-compression observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Equation of state of hot, dense magnesium derived with first-principles computer simulations

Using two first-principles computer simulation techniques, path integral Monte Carlo and density functional theory molecular dynamics, we derive the equation of state of magnesium in the regime of warm dense matter, with densities ranging from 0.43 to 86.11 g cm –3 and temperatures from 20,000 K to 5×10 8 K. These conditions are relevant for the interiors of giant planets and stars as well as for shock compression measurements and inertial confinement fusion experiments. Here, we study ionization mechanisms and the electronic structure of magnesium as a function of density and temperature. We show that the L shell electrons, 2s and 2p energy bands, merge at high densities. This results in gradual ionization of the L-shell with increasing density and temperature. In this regard, Mg differs from MgO, which is also reflected in the shape of its principal shock Hugoniot curve. For Mg, we predict a single broad pressure-temperature region, where the shock compression ratio is approximately 4.9. Mg thus differs from Si and Al plasmas that exhibit two well-separated compression maxima on the Hugoniot curve for L and K shell ionizations. Finally, we study multiple shocks and effects of preheat and precompression.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Many-body reactive force field development for carbon condensation in C/O systems under extreme conditions

In this paper, we describe the development of a reactive force field for C/O systems under extreme temperatures and pressures, based on the many-body Chebyshev Interaction Model for Efficient Simulation (ChIMES). The resulting model, which targets carbon condensation under thermodynamic conditions of 6500 K and 2.5 g cm –3 , affords a balance between model accuracy, complexity, and training set generation expense. We show that the model recovers much of the accuracy of density functional theory for the prediction of structure, dynamics, and chemistry when applied to dissociative condensed phase systems at 1:1 and 1:2 C:O ratios, as well as molten carbon. Our C/O modeling approach exhibits a 104 increase in efficiency for the same system size (i.e., 128 atoms) and a linear system size scalability over standard quantum molecular dynamics methods, allowing the simulation of significantly larger systems than previously possible. We find that the model captures the condensed-phase reaction-coupled formation of carbon clusters implied by recent experiments, and that this process is susceptible to strong finite size effects. Overall, we find the present ChIMES model to be well suited for studying chemical processes and cluster formation at pressures and temperatures typical of shock waves. We expect that the present C/O modeling paradigm can serve as a template for the development of a broader high pressure–high temperature force-field for condensed phase chemistry in organic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Feasibility of an experiment on clumping induced by the Crow instability along a shocked cylinder

The growth of three-dimensional perturbations subject to the Crow instability along a vortex dipole resulting from the passage of a shock wave through a heavy gaseous cylinder is examined numerically. A linear stability analysis is performed based on geometric parameters extracted from two-dimensional simulations to determine the range of unstable wavenumbers, which is found to extend from 0.0 to 1.3 when normalized by the core separation distance. The analysis is then verified by comparison to three-dimensional simulations, which clearly show the development of the instability and the pinch-off of the vortex dipole into isolated vortex rings, which manifest as clumps of the original cylinder material. A scaling law is developed to determine the relevant spatiotemporal scales of the instability development, which is then used to assess the feasibility of a high-energy-density experiment visualizing clump formation. Specifically, a shocked cylinder with an initial diameter of 100 μm consisting of a perturbation of approximate wavelength and amplitude of 600 and 10 μm, respectively, is expected to form clumps resulting from the Crow instability approximately 40 ns after it is shocked, with dynamics which can be readily visualized on the Omega EP laser facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Extreme Metastability of Diamond and its Transformation to the BC8 Post-Diamond Phase of Carbon

Diamond possesses exceptional physical properties due to its remarkably strong carbon–carbon bonding, leading to significant resilience to structural transformations at very high pressures and temperatures. Despite several experimental attempts, synthesis and recovery of the theoretically predicted post-diamond BC8 phase remains elusive. Through quantum-accurate multimillion atom molecular dynamics (MD) simulations, we have uncovered the extreme metastability of diamond at very high pressures, significantly exceeding its range of thermodynamic stability. We predict the post-diamond BC8 phase to be experimentally accessible only within a narrow high pressure–temperature region of the carbon phase diagram. The diamond to BC8 transformation proceeds through premelting followed by BC8 nucleation and growth in the metastable carbon liquid. Here we propose a double-shock compression pathway for BC8 synthesis, which is currently being explored in experiments at the National Ignition Facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

An experimental and kinetic modeling study of the pyrolysis of isoprene, a significant biogenic hydrocarbon in naturally occurring vegetation fires

Isoprene dominates the carbon flux emitted by vegetation and constitutes 40% of non-methane biogenic emissions worldwide. Despite pyrolysis experiments at temperatures above 1000 K showing a link between isoprene combustion and aromatic species formation, comprehensive mechanistic research on isoprene is scarce in the literature. Here, in this work, we carry out an experimental and theoretical study to build, for the first time, a chemical kinetic model describing isoprene pyrolysis. The formation of polycyclic aromatic hydrocarbon (PAH) precursor species, often observed in vegetation fire plumes, is partially explained by isoprene pyrolysis experiments and theoretical modeling. Molecular dynamics (MD) simulations unveil reaction pathways from allylic isoprenyl radicals to allene and cyclopentadiene (CPD) intermediates, two relevant species detected in the experiments. Rate constants for these identified pathways are calculated using variational transition state theory to update the kinetic model, which is validated against single-pulse shock tube (SPST), and jet-stirred reactor (JSR) experimental data in the temperature range of 850–1690 K. The kinetic model presents satisfactory agreement with the SPST experimental data, and a reaction pathway analysis shows that association of propargyl radicals results in benzene formation. The JSR pathway analysis also identifies the prominent reactions for CPD, benzene, styrene, and toluene formation. Our model does not reproduce the CPD experimental profiles, indicating that additional studies are necessary. Overall, our findings advance the understanding of isoprene pyrolysis and its related atmospheric pollutants in naturally occurring vegetation fires where smoldering and oxygen-deficient combustion processes are present.

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

Proof-of-Principle Experiment on the Dynamic Shell Formation for Inertial Confinement Fusion

In the dynamic-shell (DS) concept [Goncharov et al., Phys Rev. Lett. 125, 065001 (2020)] for laser-driven inertial confinement fusion the deuterium-tritium fuel is initially in the form of a homogeneous liquid inside a wetted-foam spherical shell. This fuel is ignited using a conventional implosion, which is preceded by a initial compression of the fuel followed by its expansion and dynamic formation of a high-density fuel shell with a low-density interior. This letter reports on a scaled-down, proof-of-principle experiment on the OMEGA laser demonstrating, for the first time, the feasibility of DS formation. A shell is formed by convergent shocks launched by laser pulses at the edge of a plasma sphere, with the plasma itself formed as a result of laser-driven compression and relaxation of a surrogate plastic-foam ball target. Three x-ray diagnostics, namely, 1-D spatially resolved self-emission streaked imaging, 2-D self-emission framed imaging, and backlighting radiography, have shown good agreement with the predicted evolution of the DS and its stability to low Legendre mode perturbations introduced by laser irradiation and target asymmetries.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Simulations for Planning of Liquid Hydrogen Spill Test

In order to better understand the complex pooling and vaporization of a liquid hydrogen spill, Sandia National Laboratories is conducting a highly instrumented, controlled experiment inside their Shock Tube Facility. Simulations were run before the experiment to help with the planning of experimental conditions, including sensor placement and cross wind velocity. This paper describes the modeling used in this planning process and its main conclusions. Sierra Suite’s Fuego, an in-house computational fluid dynamics code, was used to simulate a RANS model of a liquid hydrogen spill with five crosswind velocities: 0.45, 0.89, 1.34, 1.79, and 2.24 m/s. Two pool sizes were considered: a diameter of 0.85 m and a diameter of 1.7. A grid resolution study was completed on the smaller pool size with a 1.34 m/s crosswind. A comparison of the length and height of the plume of flammable hydrogen vaporizing from the pool shows that the plume becomes longer and remains closer to the ground with increasing wind speed. The plume reaches the top of the facility only in the 0.45 m/s case. From these results, we concluded that it will be best for the spacing and location of the concentration sensors to be reconfigured for each wind speed during the experiment.

08 HYDROGEN↗
DOE OSTI2022

Multiphase equation of state for Ta 2 O 5

A new equation of state for Ta 2 O 5 is presented. The EOS is constructed using the OpenSesame software and is referred to as SESAME 3530. The EOS uses a combination of density functional theory (DFT) calculations and experimental data. DFT calculations include cold curves and phonons of the solid phases, as well as DFT-based molecular dynamics simulations of the liquid phase. Experimental data includes isobaric, diamond anvil cell, and porous shock Hugoniot data. To fit the data, we create a multiphase EOS consisting of two solid phases and the liquid. Overall agreement with experimental data is shown, and we provide some suggestions for future experiments that could improve our knowledge of the phase diagram.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Double sided measurements and associated error bars for planar samples or subassemblies

Many of the high energy density (HED) experiments use targets with planar components usually in a multilayer stack as the physics package which is at the heart of the experiment. The physics package contains the sample part under study as well as other components as shown in Fig. 1, that when exposed to the laser drive applies pressure onto or shock the main component to take it to the desired state in the phase diagram. These other components may include the ablator, pusher, x-ray pre-heat shield, window or other special components. The components are usually glued together. Currently, experiments on NIF and Omega in the Dynamic Materials campaign use several platforms such as Diffraction, EOS and Strength (Ref 1-3) which all use such planar stack physics packages.

42 ENGINEERING↗