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At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Temperature and Density on the Forsterite Liquid‐Vapor Phase Boundary

Abstract The physical processes during planet formation span a large range of pressures and temperatures. Giant impacts, such as the one that formed the Moon, achieve peak pressures of 100s of GPa. The peak shock states generate sufficient entropy such that subsequent decompression to low pressures intersects the liquid‐vapor phase boundary. The entire shock‐and‐release thermodynamic path must be calculated accurately in order to predict the post‐impact structures of planetary bodies. Forsterite (Mg 2 SiO 4 ) is a commonly used mineral to represent the mantles of differentiated bodies in hydrocode models of planetary collisions. Here, we performed shock experiments on the Sandia Z Machine to obtain the density and temperature of the liquid branch of the liquid‐vapor phase boundary of forsterite. This work is combined with previous work constraining pressure, density, temperature, and entropy of the forsterite principal Hugoniot. We find that the vapor curves in previous forsterite equation of state models used in giant impacts vary substantially from our experimental results, and we compare our results to a recently updated equation of state. We have also found that due to under‐predicted entropy production on the principal Hugoniot and elevated temperatures of the liquid vapor phase boundary of these past models, past impact studies may have underestimated vapor production. Furthermore, our results provide experimental support to the idea that giant impacts can transform much of the mantles of rocky planets into supercritical fluids.

58 GEOSCIENCES↗
DOE OSTI2025

Thermoelastic Properties of Iron-Rich Ringwoodite and the Deep Mantle Aerotherm of Mars

The Martian mantle is considered to have a higher Fe/Mg ratio than the Earth's mantle. Ringwoodite, γ-(Mg,Fe) 2 SiO 4 , is likely the dominant polymorph of olivine in the core-mantle boundary (CMB) region of Mars. We synthesized anhydrous iron-rich ringwoodite with molar Mg/(Mg + Fe) = 0.44 and determined its thermal equation of state up to 35 GPa and 750 K by synchrotron X-ray diffraction. Using a third order Birch-Murnaghan equation of state, we obtain K T0 = 182 (3) GPa, K' = 4.6 (2), and α 0 = 3.18 (6) × 10 -5 K -1 . Using these results and an updated mineralogical model with an iron-rich composition of Mg/(Mg + Fe) = 0.75 for the Martian mantle, we estimate ~1900 K for the temperature of the D1000 seismic discontinuity inside Mars. The resulting adiabat predicts a warm aerotherm, which could explain the presence of partial melt at the CMB of Mars recently detected with seismic data from the 2019 InSight mission.

58 GEOSCIENCES↗
DOE OSTI2025

AWSD reactive flow model for PBX 9404

An Arrhenius–Wescott–Stewart–Davis (AWSD) reactive flow model for high explosive PBX 9404 is developed. We specifically calibrate an AWSD model for PBX 9404 by fitting equations of state for reactants and detonation products to the results of thermochemical calculations and to experimental data from multiple sources. The calibrated equations of state are then coupled with an Arrhenius rate law based on shock temperature that describes the reaction progress during PBX 9404 detonation. The parameter values in the rate law are calibrated to experimental gas-gun data and diameter effect results. The results of the calibrated AWSD model are in strong agreement with available experimental data for PBX 9404. A similar level of agreement between predicted and experimental results is observed when the calibrated model is validated on data that were not used in the model parameterization procedure. Our results illustrate that the AWSD model is capable of accurately describing the many important properties and observables in the reactive burn of PBX 9404. Because of the historical significance of PBX 9404 in high explosives research and its current use in aging studies, this work provides an important model of a legacy material, which can be used to make comparisons to new high explosive formulations.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2023

Study of the agreement between binary neutron star ejecta models derived from numerical relativity simulations

Neutron star mergers have recently become a tool to study extreme gravity, nucleosynthesis, and the chemical composition of the Universe. To date, there has been one joint gravitational and electromagnetic observation of a binary neutron star merger, GW170817, as well as a solely gravitational observation, GW190425. In order to accurately identify and interpret electromagnetic signals of neutron star mergers, better models of the matter outflows generated by these mergers are required. We compare a series of ejecta models to see where they provide strong constraints on the amount of ejected mass expected from a system, and where systematic uncertainties in current models prevent us from reliably extracting information from observed events. We also examine 2396 neutron star equations of state compatible with GW170817 to see whether a given ejecta mass could be reasonably produced with a neutron star of said equation of state, and whether different ejecta models provide consistent predictions. We find that the difference between models is often comparable to or larger than the error generally assumed for these models, implying better constraints on the models are needed. In conclusion, we also note that the extrapolation of outflow models outside of their calibration window, while commonly needed to analyze gravitational wave events, is extremely unreliable and occasionally leads to completely unphysical results.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1972

Implications of tachyon-like matter for superdense stars.

Derivation of a new equation of state of superdense matter by treating superdense matter as a perfect, degenerate tachyon gas. Model calculations for superdense stars based on this equation of state are presented. By appropriately choosing a certain parameter, dynamical stability can be achieved for arbitrarily large central densities. Also, a somewhat larger than usual value for the maximum mass is obtained.

Bhatia, M. S.↗
NASA NTRS1984

Acceleration to a steady state for the Euler equations

A multi-stage Runge-Kutta method is analyzed for solving the Euler equations exterior to an airfoil. Highly subsonic, transonic and supersonic flows are evaluated. Various techniques for accelerating the convergence to a steady state are introduced and analyzed.

Turkel, E.↗
NASA NTRS1985

Acceleration to a steady state for the Euler equations

A multistage Runge-Kutta method is analyzed for solving the Euler equations exterior to an airfoil. Highly subsonic, transonic and supersonic flows are evaluated. Various techniques for accelerating the convergence to a steady state are introduced and analyzed.

Turkel, E.↗
DOE OSTI2022

Shock Hugoniot of Forged and Additively Manufactured 304L Stainless Steel

The purpose of this research was to measure the equation of state for additively manufactured (AM) and forged 304L stainless steel using a novel experimental technique. An understanding of the dynamic behavior of AM metals is integral to their timely adoption into various applications. The Hugoniot of the AM 304L was compared to that of the forged 304L at particle velocities where the material retains a two-wave structure. This comparison enabled us to determine the sensitivity of the equation of state to microstructure as varied due to processing. Our results showed that there was a measurable difference in the measured shock velocity between the AM and forged 304L. The shock wave velocities for the AM 304L were found to be ~3% slower than those for the forged 304L at similar particle velocities. To understand these differences, properties such as densities, sound speeds, and texture were measured and compared between the forged and AM materials. Our results showed that no measurable difference was found in these properties. Additionally, it is possible that differing elastic wave amplitudes may influence shock velocity.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Hydrogen and Silicon Effects on Hexagonal Close Packed Fe Alloys at High Pressures: Implications for the Composition of Earth's Inner Core

Hexagonal close-packed (hcp) structured Fe-Ni alloy is believed to be the dominant phase in the Earth's inner core. This phase is expected to contain 4%–5% light elements, such as Si and H. While the effects of individual light element candidates on the equation of state (EoS) of the hcp Fe metal have been studied, their combined effects remain largely unexplored. Here, in this study, we report the equations of state for two hcp-structured Fe-Si-H alloys, namely Fe 0.83 Si 0.17 H 0.07 and Fe 0.83 Si 0.17 H 0.46 , using synchrotron X-ray diffraction measurements up to 125 GPa at 300 K. These alloys were synthesized by cold compression of Fe-9wt%Si in either pure H 2 or Ar-H 2 mixture medium in diamond-anvil cells. The volume increase caused by a H atom in hcp Fe-Si-H alloys is approximately eight times greater than that by a Si atom. We used the improved data set to develop a composition-dependent EoS that covers a wide range of compositions. Our calculated density and bulk sound velocity of hcp Fe-Si-H alloys suggest a large trade-off between Si and H contents in fitting the seismic properties of the inner core. Combining our new EoS with geophysical and geochemical constraints, we propose 1.6–3 wt% Si and 0.15–0.6 wt% H in the Earth's inner core.

58 GEOSCIENCES↗
DOE OSTI2023

Effects of fragmentation on post-inflationary reheating

We consider the effects of fragmentation on the post-inflationary epoch of reheating. In simple single field models of inflation, an inflaton condensate undergoes an oscillatory phase once inflationary expansion ends. The equation of state of the condensate depends on the shape of the scalar potential, V(Φ), about its minimum. Assuming V(Φ) ~ Φ k , the equation of state parameter is given by w = P Φ /ρ Φ = (k - 2)/(k + 2). The evolution of condensate and the reheating process depend on k. For k ≥ 4, inflaton self-interactions may lead to the fragmentation of the condensate and alter the reheating process. Indeed, these self-interactions lead to the production of a massless gas of inflaton particles as w relaxes to 1/3. If reheating occurs before fragmentation, the effects of fragmentation are harmless. We find, however, that the effects of fragmentation depend sensitively to the specific reheating process. Reheating through the decays to fermions is largely excluded since perturbative couplings would imply that fragmentation occurs before reheating and in fact could prevent reheating from completion. Reheating through the decays to boson is relatively unaffected by fragmentation and reheating through scatterings results in a lower reheating temperature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

High-speed x-ray phase contrast imaging and digital image correlation analysis of microscale shock response of an additively manufactured energetic material simulant

The performance of energetic materials subjected to dynamic loading significantly depends on their micro- and meso-scale structural morphology. The geometric versatility offered by additive manufacturing opens new pathways to tailor the performance of these materials. Additively manufactured energetic materials (AMEMs) have a wide range of structural characteristics with a hierarchy of length scales and process-inherent heterogeneities, which are hitherto difficult to precisely control. It is important to understand how these features affect AMEMs’ response under dynamic/shock loading. Therefore, temporally and spatially resolved measurements of both macroscopic behavior and micro- and meso-level processes influencing macroscopic behavior are required. In this paper, we analyze the shock compression response of an AMEM simulant loaded under several impact conditions and orientations. Furthermore, x-ray phase contrast imaging (PCI) is used to track features across the observed shock front and determine the linear shock velocity vs particle velocity equation of state, as well as to quantify the interior deformation fields via digital image correlation (DIC) analyses. Photon Doppler velocimetry is simultaneously used to measure the particle velocities of the specimens, which are consistent with those obtained from x-ray PCI. The DIC analyses provide an assessment of the average strain fields inside the material, showing that the average axial strain depends on the loading intensity and reaches as high as 0.23 for impact velocities up to 1.5 km/s. The overall results demonstrate the utility of x-ray PCI for probing “in-material” equation of state and interior strains associated with dynamic shock compression behavior of the AMEM simulant.

3D printing↗
DOE OSTI2023

Observing the onset of pressure-driven K-shell delocalization

The gravitational pressure in many astrophysical objects exceeds one gigabar (one billion atmospheres), creating extreme conditions where the distance between nuclei approaches the size of the K shell. This close proximity modifies these tightly bound states and, above a certain pressure, drives them into a delocalized state. Both processes substantially affect the equation of state and radiation transport and, therefore, the structure and evolution of these objects. Still, our understanding of this transition is far from satisfactory and experimental data are sparse. Here, in this work, we report on experiments that create and diagnose matter at pressures exceeding three gigabars at the National Ignition Facility where 184 laser beams imploded a beryllium shell. Bright X-ray flashes enable precision radiography and X-ray Thomson scattering that reveal both the macroscopic conditions and the microscopic states. The data show clear signs of quantum-degenerate electrons in states reaching 30 times compression, and a temperature of around two million kelvins. At the most extreme conditions, we observe strongly reduced elastic scattering, which mainly originates from K-shell electrons. We attribute this reduction to the onset of delocalization of the remaining K-shell electron. With this interpretation, the ion charge inferred from the scattering data agrees well with ab initio simulations, but it is significantly higher than widely used analytical models predict.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Extreme compression of planetary gases: High-accuracy pressure-density measurements of hydrogen-helium mixtures above fourfold compression

Hydrogen (H 2 ) and helium (He), the most abundant elements in the universe, pose a unique challenge in measuring the equation of state of the mixture, owing to their differing physical properties. There remains a need for data with high enough precision to discriminate between existing equation of state (EOS) mix models in order to understand the internal structure of gas-giant planets. Here, we have measured the EOS of precompressed H 2 - He mixtures at conditions directly relevant to the planetary interiors using hypervelocity gas guns and Sandia’s Z machine with less than 10% uncertainty in density, enabling validation of mixture models. We precompressed 50:50 molar mixtures of H 2 -He to 0.1–0.2 GPa and directly measured particle velocity (in gas-gun experiments) and shock velocities (in Z-machine experiments). To complement the experimental efforts, we also computed the Hugoniots of precompressed H 2 -He mixtures using density-functional-theory-based molecular dynamics. Furthermore, we observe approximately 3- to 4.3-fold density compression at pressures up to 44 GPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

ChIMES: A Machine-Learned Interatomic Model Targeting Improved Description of Condensed Phase Chemistry in Energetic Materials

In this report we detail completion of a Physics and Engineering Model Level Two Milestone targeting improved reactive interatomic potentials (IAPs) for energetic materials (EM) through machine learning. The specific goals of this milestone were to develop, validate, and document a new reactive molecular dynamics method for EM, based on machine learning by (1) generating databases of first-principles-derived forces, stresses, and energies for HN3 and 3,4-bis(3-nitrofurazan- 4-yl)furoxan (DNTF) (2) generate atomistic force fields from these databases via ML, and (3) benchmark model performance against first principles calculations. These goals were achieved by (1) further developing a machine learned reactive IAP and generation approach (i.e. the Chebyshev Interaction Model for Efficient Simulation or “ChIMES”), for which resulting IAPs can approach the predictive power of quantum-mechanical approaches at a fraction of the computational expense, and (2) applying the ChIMES framework to develop models for HN3 and DNTF. We find that for simple energetic materials like HN3, high accuracy ChIMES models can be obtained through application of a fitting approach that does not use active machine learning. We demonstrate the suitability of ChIMES models for simulations involving EM by using the HN3 model in multiscale shock technique simulations to predict the HN3 Chapman-Jouguet detonation state and investigate chemical evolution out to 1 ns following shock compression. This model is then used in larger direct shock (DS) simulations for a preliminary investigation of how bubbles (i.e. voids) influence material response under shock compression. We find that more complex EM (i.e. DNTF) necessitate a more sophisticated fitting approach, and develop a new active learning method and python tool to meet this challenge. We demonstrate that this fitting approach yields ChIMES models that out-perform commonly used standard reactive IAPs as well as semi-empirical quantum methods, and discuss the systematic improvability of these actively learned ChIMES models. We also describe challenges related to model development for EM such as DNTF, for which few experimental or previous simulation data are available (e.g. which could otherwise inform generation of training data). To overcome this issue, we establish a semi-empirical quantum ChIMES capability which can be used to efficiently map out relevant thermodynamic and configurational space, and generate ChIMES-IAP training data in a multiscale manner. We also show that these semi-empirical quantum ChIMES models can be used to generate predictions for the shock Hugoniot (the Hugoniot is the locus of thermodynamic states found in a shocked material) equation of state, investigate related thermochemistry, and explore carbon condensation following shock compression. This work represents a substantial advance in our atomistic modeling capability for EM that will provide much needed information on the chemistry of detonation for continued development of continuum models based on the Cheetah thermochemical code.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

High Energy Density Physics of Inertial Confinement Fusion Ablator Materials

The historic December 5, 2022 experiment at Lawrence Livermore National Lab’s (LLNL) National Ignition Facility (NIF) reached fusion energy ignition for the first time. This is the most important scientific breakthrough of the 21st century paves the way to future clean inertial fusion energy (IFE). The diamond (high density carbon (HDC)) ablator material used in this experiment displays detrimental effects due to the development of hydrodynamic instabilities at the diamond/fuel interface under shock compression. New alternatives to diamond ablators are required to step up the energy yield in ICF experiments. The unique combination of mechanical strength (approaching that of diamond), the ability to accommodate high-Z dopants (in contrast to diamond), and the tunability of the properties (through synthesis material with varying sp 3 content) make amorphous carbon (a-C) a promising material for next-generation IFE ablative capsules. However, despite its critical importance to the IFE program, the behavior of a-C carbon at extreme temperatures and pressures remains largely unexplored. The primary goals of this project were to perform groundbreaking dynamic compression experiments and predictive simulations to uncover the fundamental high-energy-density physics of amorphous carbon. Our goals were (1) to uncover the metastability range of amorphous carbon and probe phase transitions to diamond or metastable supercooled liquid carbon; (2) to acquire high-quality equation of state (EOS) data and develop an experimentally validated EOS from machine-learning MD simulations of the complex states of carbon; and (3) to uncover the complex behavior of carbon liquid in both thermodynamically stable and metastable supercooled states by accessing large areas of carbon phase diagram with amorphous samples with variable sp 3 content. Our proposed experimental program included measurements of equation of state and diffraction measurements using the Omega EP laser at the Laboratory of Laser Energetics at the University of Rochester. The theoretical/simulation program involved the development of machine-learning models of the complex response of amorphous carbon under dynamic compression by performing molecular dynamics simulations at experimental time and length scales using leadership class DOE supercomputers. Simulations guided experiments to observe predicted phenomena and acquire critical experimental data in specific pressure-temperature domains to validate theoretical models. This research delivered fundamental properties of novel amorphous carbon IFE ablator material, including phase diagram and EOS. These results will aid in IFE target design and implosion experiments. A unique combination of predictive simulations and dynamic and static experiments provided a highly inspirational intellectual environment for graduate students and postdocs involved in this project.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗