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At least 1,063 records · Page 59

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Dynamic properties of FeCrMnNi, a High Entropy Alloy

The goal of this paper was to assess the dynamic properties of a new class of materials, High entropy alloys (HEAs). Specifically, gas gun experiments coupled with recovery were performed on a specific HEA, FeCrMnNi, to measure its equation of state (EOS) and its spall strength, which is a measure of the stress required to nucleate voids under shock loading conditions. While there has been a plethora of work performed to assess the mechanical properties of these HEAs under uniaxial stress conditions as a function of strain rate, investigation of its properties in dynamic extremes remains rare. The current work fills this gap in knowledge for this novel class of materials. Our results show that the measured EOS for this material at one velocity was in reasonable agreement with an estimated Hugoniot. Furthermore, while the spall strength for this material was found to be ~1.9 GPa, with some variation based on sample location, the main failure mode wasbrittle. This brittle failure leading to formation of cracks in the material is different than the ductile failure observed in pure iron and its alloys. DOE/NV/03624--1298

36 MATERIALS SCIENCE↗

DOE OSTI2021

Mapping dynamical ejecta and disk masses from numerical relativity simulations of neutron star mergers

Abstract We present fitting formulae for the dynamical ejecta properties and remnant disk masses from the largest to date sample of numerical relativity simulations. The considered data include some of the latest simulations with microphysical nuclear equations of state (EOS) and neutrino transport as well as other results with polytropic EOS available in the literature. Our analysis indicates that the broad features of the dynamical ejecta and disk properties can be captured by fitting expressions, that depend on mass ratio and reduced tidal parameter. The comparative analysis of literature data shows that microphysics and neutrino absorption have a significant impact on the dynamical ejecta properties. Microphysical nuclear EOS lead to average velocities smaller than polytropic EOS, while including neutrino absorption results in larger average ejecta masses and electron fractions. Hence, microphysics and neutrino transport are necessary to obtain quantitative models of the ejecta in terms of the binary parameters.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

A case study of using x-ray Thomson scattering to diagnose the in-flight plasma conditions of DT cryogenic implosions

The design of inertial confinement fusion ignition targets requires radiation-hydrodynamics simulations with accurate models of the fundamental material properties (i.e., equation of state, opacity, and conductivity). Validation of these models is required via experimentation. A feasibility study of using spatially integrated, spectrally resolved, x-ray Thomson scattering measurements to diagnose the temperature, density, and ionization of the compressed DT shell of a cryogenic DT implosion at two-thirds convergence was conducted. Synthetic scattering spectra were generated using 1D implosion simulations from the LILAC code that were post processed with the x-ray scattering model, which is incorporated within SPECT3D. Analysis of two extreme adiabat capsule conditions showed that the plasma conditions for both compressed DT shells could be resolved.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Tunable noninteracting free-energy density functionals for high-energy-density physics applications

In this work, we introduce the concept of a tunable noninteracting free-energy density functional and present two examples realized: (i) via a simple one-parameter convex combination of two existing functionals and (ii) via the construction of a generalized gradient approximation (GGA) enhancement factor that contains one free parameter and is designed to satisfy a set of incorporated constraints. Functional (i), constructed as a combination of the local Thomas–Fermi and a pseudopotential-adapted GGA for the noninteracting free-energy, has already demonstrated its practical usability for establishing the high temperature end of the equation of state of deuterium [Phys. Rev. B 104, 144104 (2021)] and CHON resin [Phys. Rev. E 106, 045207 (2022)] for inertial confinement fusion applications. Hugoniot calculations for liquid deuterium are given as another example of how the application of computationally efficient orbital-free density functional theory (OF-DFT) can be utilized with the employment of the developed functionals. Once the functionals have been tuned such that the OF-DFT Hugoniot calculation matches the Kohn–Sham solution at some low-temperature point, agreement with the reference Kohn–Sham results for the rest of the high temperature Hugoniot path is very good with relative errors for compression and pressure on the order of 2% or less.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1979

Energy-state formulation of lumped volume dynamic equations with application to a simplified free piston Stirling engine

Lumped volume dynamic equations are derived using an energy-state formulation. This technique requires that kinetic and potential energy state functions be written for the physical system being investigated. To account for losses in the system, a Rayleigh dissipation function is also formed. Using these functions, a Lagrangian is formed and using Lagrange's equation, the equations of motion for the system are derived. The results of the application of this technique to a lumped volume are used to derive a model for the free-piston Stirling engine. The model was simplified and programmed on an analog computer. Results are given comparing the model response with experimental data.

Daniele, C. J.↗

NASA NTRS1980

Dynamic simulation of coronal mass ejections

A model is developed for the formation and propagation through the lower corona of the loop-like coronal transients in which mass is ejected from near the solar surface to the outer corona. It is assumed that the initial state for the transient is a coronal streamer. The initial state for the streamer is a polytropic, hydrodynamic solution to the steady-state radial equation of motion coupled with a force-free dipole magnetic field. The numerical solution of the complete time-dependent equations then gradually approaches a stationary coronal streamer configuration. The streamer configuration becomes the initial state for the coronal transient. The streamer and transient simulations are performed completely independent of each other. The transient is created by a sudden increase in the pressure at the base of the closed-field region in the streamer configuration. Both coronal streamers and coronal transients are calculated for values of the plasma beta (the ratio of thermal to magnetic pressure) varying from 0.1 to 100.

Steinolfson, R. S.↗

NASA NTRS1988

Dynamical effects on the core-mantle boundary from depth-dependent thermodynamical properties of the lower mantle

A common assumption in modeling dynamical processes in the lower mantle is that both the thermal expansivity and thermal conductivity are reasonably constant. Recent work from seismic equation of state leads to substantially higher values for the thermal conductivity and much lower thermal expansivity values in the deep mantle. The dynamical consequences of incorporating depth-dependent thermodynamic properties on the thermal-mechanical state of the lower mantle are examined with the spherical-shell mean-field equations. It is found that the thermal structure of the seismically resolved anomalous zone at the base of the mantle is strongly influenced by these variable properties and, in particular, that the convective distortion of the core-mantle boundary (CMB) is reduced with the decreasing thermal expansivity. Such a reduction of the dynamically induced topography from pure thermal convection would suggest that some other dynamical mechanism must be operating at the CMB.

Zhang, Shuxia↗

NASA NTRS2007

Going Beyond Einstein with the Constellation-X Mission

The Constellation-X mission will address the questions: "What happens to matter close to a black hole?" and "What is Dark Energy?" These questions are central to the NASA Beyond Einstein Program, where Constellation-X plays a central role. The mission will address these questions by using high throughput X-ray spectroscopy to observe the effects of strong gravity close to the event horizon of black holes, and to observe the formation and evolution of clusters of galaxies in order to precisely determine Cosmological parameters. To achieve these primary science goals requires a factor of 25-100 increase in sensitivity for high resolution X-ray spectroscopy.'The mission will also perform routine high-resolution X-ray spectroscopy of faint 2nd extended X-ray source populations. This will provide diagnostic information such as density, elemental abundances, velocity; and ionization state for a wide range of astrophysical problems, including new constraints on the Neutron Star equation of state.

White, Nicholas↗

NASA NTRS2009

Relative Shock Effects in Mixed Powders of Calcite, Gypsum, and Quartz: A Calibration Scheme from Shock Experiments

The shock behavior of calcite and gypsum is important in understanding the Cretaceous/Tertiary event and other terrestrial impacts that contain evaporite sediments in their targets. Most interest focuses on issues of devolatilization to quantify the production of CO2 or SO2 to better understand their role in generating a temporary atmosphere and its effects on climate and biota [e.g., papers in 1,2,3,4]. Devolatilization of carbonate is also important because the dispersion and fragmentation of ejecta is strongly controlled by the expansion of large volumes of gas during the impact process as well [5,6]. Shock recovery experiments for calcite yield seemingly conflicting results: early experimental devolatilization studies [7,8,9] suggested that calcite was substantially outgassed at 30 GPa (> 50%). However, the recent petrographic work of [10,11,12] presented evidence that essentially intact calcite is recovered from 60 GPa experiments. [13] reported results of shock experiments on anhydrite, gypsum, and mixtures of those phases with silica. Their observations indicate little or no devolatilization of anhydrite shocked to 42 GPa and that the fraction of sulfur, by mass, that degassed is approx.10(exp -2) of theoretical prediction. In another (preliminary) report of shock experiments on calcite, anhydrite, and gypsum, [14] observe calcite recrystallization when shock loaded at 61 GPa, only intensive plastic deformation in anhydrite shock loaded at 63 GPa, and gypsum converted to anhydrite when shock loaded at 56 GPa. [15] shock loaded anhydrite and quartz to a peak pressure of 60 GPa. All of the quartz grains were trans-formed to glass and the platy anhydrite grains were completely pseudomorphed by small crystallized anhydrite grains. However, no evidence of interaction between the two phases could be observed and they suggest that recrystallization of anhydrite grains is the result of a solid state transformation. [16] reanalyzed the calcite and anhydrite shock wave experiments of [17] using improved equations of state of porous materials and vaporized products. They determined the pressures for incipient and complete vaporization to be 32.5 and 122 GPa for anhydrite and 17.8 and 54.1 GPa for calcite, respectively, a factor of 2 to 3 lower than reported earlier by [17].

Bell, Mary S.↗

NASA NTRS2024

Nodal Modeling of Liquid Propellant Feed and Pressurization System

Nodal or network flow modeling plays an important role in the design and operation of the feed and pressurization system of a liquid rocket engine. Model development and execution time is relatively short for nodal codes in comparison to the Navier-Stokes based CFD codes. Nodal models also allow the inclusion of several components into one model to predict the behavior of a larger system. Unlike CFD models, the nodal models do not need very fine discretization of the flow field because they use empirical correlations to model fluid friction and heat transfer. This paper presents several applications of nodal modeling of liquid propellant feed and pressurization systems using the Generalized Fluid System Simulation Program (GFSSP), a nodal code developed at NASA/ Marshall Space Flight Center. GFSSP discretizes the flow field into nodes which are connected by branches. The mass and energy conservation equations and the equation of state are solved to calculate pressure, temperature, and resident mass at the nodes. The momentum equations are solved at the branches to calculate flow rates. Applications include a) tank pressurization by inert gas as well as autogenous pressurization by gaseous propellant, b) submerged pressurization by helium, c) self-pressurization due to boil-off of cryogenic propellant, d) chilldown of a transfer line of a cryogenic propellant feed system, and e) chilldown and filling of a cryogenic tank. Each of the above-mentioned models was verified and validated by comparing with test data.

Nodal Model↗

NASA NTRS2024

Nodal Modeling of Liquid Propellant Feed and Pressurization System

Nodal Model↗

DOE OSTI2022

Dynamic properties of FeCrMnNi, a high entropy alloy

The goal of this paper was to assess the dynamic properties of a new class of materials, High entropy alloys (HEAs). Specifically, gas gun experiments coupled with recovery were performed on a specific HEA, FeCrMnNi, to measure its equation of state (EOS) and its spall strength, which is a measure of the stress required to nucleate voids under shock loading conditions. While there has been a plethora of work performed to assess the mechanical properties of these HEAs under uniaxial stress conditions as a function of strain rate, investigation of its properties in dynamic extremes remains rare. The current work fills this gap in knowledge for this novel class of materials. Our results show that the measured EOS for this material at one velocity was in reasonable agreement with an estimated Hugoniot. Furthermore, while the spall strength for this material was found to be ~1.9 GPa, with some variation based on sample location, the main failure mode was brittle. This brittle failure leading to formation of cracks in the material is different than the ductile failure observed in pure iron and its alloys.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Feasibility and performance of the staged Z-pinch: A one-dimensional study with FLASH and MACH2

Z-pinch platforms constitute a promising pathway to fusion energy research. Here, we present a one-dimensional numerical study of the staged Z-pinch (SZP) concept using the FLASH and MACH2 codes. We discuss the verification of the codes using two analytical benchmarks that include Z-pinch-relevant physics, building confidence on the codes' ability to model such experiments. Then, FLASH is used to simulate two different SZP configurations: a xenon gas-puff liner (SZP1*) and a silver solid liner (SZP2). The SZP2 results are compared against previously published MACH2 results, and a new code-to-code comparison on SZP1* is presented. Using an ideal equation of state and analytical transport coefficients, FLASH yields a fuel convergence ratio (CR) of approximately 39 and a mass-averaged fuel ion temperature slightly below 1 keV for the SZP2 scheme, significantly lower than the full-physics MACH2 prediction. For the new SZP1* configuration, full-physics FLASH simulations furnish large and inherently unstable CRs (>300) but achieve fuel ion temperatures of many kilo-electron volts. While MACH2 also predicts high temperatures, the fuel stagnates at a smaller CR. The integrated code-to-code comparison reveals how magnetic insulation, heat conduction, and radiation transport affect platform performance and the feasibility of the SZP concept.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

The Radius of PSR J0740+6620 from NICER and XMM-Newton Data

PSR J0740+6620 has a gravitational mass of 2.08 ± 0.07 M ⊙ , which is the highest reliably determined mass of any neutron star. As a result, a measurement of its radius will provide unique insight into the properties of neutron star core matter at high densities. Here we report a radius measurement based on fits of rotating hot spot patterns to Neutron Star Interior Composition Explorer (NICER) and X-ray Multi-Mirror (XMM-Newton) X-ray observations. We find that the equatorial circumferential radius of PSR J0740+6620 is 13.7$^{+2.6}_{–1.5}$ km (68%). We apply our measurement, combined with the previous NICER mass and radius measurement of PSR J0030+0451, the masses of two other ~2 M ⊙ pulsars, and the tidal deformability constraints from two gravitational wave events, to three different frameworks for equation-of-state modeling, and find consistent results at ~1.5-5 times nuclear saturation density. For a given framework, when all measurements are included, the radius of a 1.4 M ⊙ neutron star is known to ±4% (68% credibility) and the radius of a 2.08 M ⊙ neutron star is known to ±5%. The full radius range that spans the ±1σ credible intervals of all the radius estimates in the three frameworks is 12.45 ± 0.65 km for a 1.4 M ⊙ neutron star and 12.35 ± 0.75 km for a 2.08 M ⊙ neutron star.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

High-Strain Rate Spall Strength Measurement for CoCrFeMnNi High-Entropy Alloy

In this study, we experimentally investigate the high stain rate and spall behavior of Cantor high-entropy alloy (HEA), CoCrFeMnNi. First, the Hugoniot equations of state (EOS) for the samples are determined using laser-driven CoCrFeMnNi flyers launched into known Lithium Fluoride (LiF) windows. Photon Doppler Velocimetry (PDV) recordings of the velocity profiles find the EOS coefficients using an impedance mismatch technique. Following this set of measurements, laser-driven aluminum flyer plates are accelerated to velocities of 0.5–1.0 km/s using a high-energy pulse laser. Upon impact with CoCrFeMnNi samples, the shock response is found through PDV measurements of the free surface velocities. From this second set of measurements, the spall strength of the alloy is found for pressures up to 5 GPa and strain rates in excess of 106 s−1. Further analysis of the failure mechanisms behind the spallation is conducted using fractography revealing the occurrence of ductile fracture at voids presumed to be caused by chromium oxide deposits created during the manufacturing process.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Experiments and simulations of isochorically heated warm dense carbon foam at the Texas Petawatt Laser

An experimental and simulation study of warm dense carbon foams at ambient density (n e ~10 21 cm –3 ) is presented. This study of isochorically heated foams is motivated by their potential application in carbon-atmosphere white-dwarf envelopes, where there are modeling uncertainties due to the equation of state. The foams are heated on an approximately picosecond time scale with a laser-accelerated proton beam. The cooling and expansion of the heated foams can be modeled with appropriately initialized radiation-hydrodynamics codes; xRAGE code is used in this work. The primary experimental diagnostic is the streaked optical pyrometer, which images a narrow band of radiation from the rear surface of the heated material. Presented are xRAGE modeling results for both solid aluminum targets and carbonized resorcinol-formaldehyde foam targets, showing that the foam appears to cool slowly on the pyrometer because of partial transparency. So that simulations of cooling foam are processed properly, it is necessary to account for finite optical depth in the photosphere calculation, and the methods for performing that calculation are presented in depth.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Accuracy, transferability, and computational efficiency of interatomic potentials for simulations of carbon under extreme conditions

Large-scale atomistic molecular dynamics (MD) simulations provide an exceptional opportunity to advance the fundamental understanding of carbon under extreme conditions of high pressures and temperatures. However, the fidelity of these simulations depends heavily on the accuracy of classical interatomic potentials governing the dynamics of many-atom systems. Here, this study critically assesses several popular empirical potentials for carbon, as well as machine learning interatomic potentials (MLIPs), in their ability to simulate a range of physical properties at high pressures and temperatures, including the diamond equation of state, its melting line, shock Hugoniot, uniaxial compressions, and the structure of liquid carbon. Empirical potentials fail to accurately predict the behavior of carbon under high pressure–temperature conditions. In contrast, MLIPs demonstrate quantum accuracy, with Spectral Neighbor Analysis Potential (SNAP) and atomic cluster expansion (ACE) being the most accurate in reproducing the density functional theory results. ACE displays remarkable transferability despite not being specifically trained for extreme conditions. Furthermore, ACE and SNAP exhibit superior computational performance on graphics processing unit-based systems in billion atom MD simulations, with SNAP emerging as the fastest. In addition to offering practical guidance in selecting an interatomic potential with a fine balance of accuracy, transferability, and computational efficiency, this work also highlights transformative opportunities for groundbreaking scientific discoveries facilitated by quantum-accurate MD simulations with MLIPs on emerging exascale supercomputers.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Thermoelastic properties of tungsten at simultaneous high pressure and temperature

In this work, the compressional ( P ) and shear wave velocities ( S ) and unit cell volumes (densities) of polycrystalline tungsten (W) have been measured simultaneously up to 10.5 GPa and 1073 K using ultrasonic interferometry in conjunction with x-ray diffraction and x-radiography techniques. Thermoelastic properties of W were derived using different methods. We obtained the isothermal bulk modulus K T 0 = 310.3(1.5) GPa, its pressure derivative K ' T 0 = 4.4(3), its temperature derivative at constant pressure ( ∂ K T / ∂ T ) P = – 0.0138 ( 1 ) GPa K – 1 and at constant volume ( ∂ K T / ∂ T ) V = – 0.0050 GPa K – 1 , the thermal expansion α ( 0, T ) = 1.02(27) × 10 –5 + 7.39(3.2) × 10 –9 T (K –1 ), as well as the pressure derivative of thermal expansion ( ∂ α / ∂ P ) T = – 1.44 ( 1 ) × 10 – 7 K – 1 GP a – 1 based on the high-temperature Birch–Murnaghan equation of state (EOS), the Vinet EOS, and thermal pressure approach. Finite strain analysis allowed us to derive the elastic properties and their pressure/temperature derivatives independent of the choice of pressure scale. A least-squares fitting yielded K S 0 = 314.5(2.5) GPa, K S 0 ' = 4.45(9), (∂ K S /∂ T ) P = – 0.0076(6) GPa K –1 , G 0 = 162.4(9) GPa, G 0 ' = 1.8(1), (∂ G /∂ T ) P = – 0.0175(9) GPa K –1 , and α 298 K = 1.23 × 10 – 5 K – 1 . Fitting current data to the Mie–Grüneisen–Debye EOS with derived θ 0 = 383.4 K yielded γ 0 = 1.81 ( 6 ) and q = 0.3 . The thermoelastic parameters obtained from various approaches are consistent with one another and comparable with previous results within uncertainties. Our current study provides a complete and self-consistent dataset for the thermoelastic properties of tungsten at high P – T conditions, which is important to improve the theoretical modeling of these materials under dynamic conditions.

36 MATERIALS SCIENCE↗