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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Shock compression of a recrystallized anorthositic rock from Apollo 15

Hugoniot measurements on 15,418, a recrystallized and brecciated gabbroic anorthosite, yield a value of the Hugoniot elastic limit (HEL) varying from 45 to 70 kbar as the final shock pressure is varied from 70 to 280 kbar. Above the HEL and to 150 kbar, the pressure-density Hugoniot is closely described by a hydrostatic equation of state constructed from ultrasonic data for single-crystal plagioclase and pyroxene. Above 150 kbar, the Hugoniot states indicate that a series of one or more shock-induced phase changes are occurring in the plagioclase and pyroxene. From Hugoniot data for both the single-crystal minerals and the Frederick diabase, we infer that the shock-induced high-pressure phases in 15,418 probably consists of a 3.71 g/cu cm density, high-pressure structure for plagioclase and a 4.70 g/cu cm perovskite-type structure for pyroxene.

Ahrens, T. J.↗
DOE OSTI2022

Structure of Shock Waves and Inelasticity in Shock-Compressed Cemented Tungsten Carbides

In this study, shock wave experiments are conducted on General Carbide cemented tungsten carbide with 3.7wt.% cobalt binder to determine its shock-induced compression behavior up to 100 GPa. The measured wave profiles indicate the cemented tungsten carbide to undergo elastic-plastic deformation during shock compression. A three-stage particle velocity profile is observed in the experiments -- an initial elastic-rise to the Hugoniot Elastic Limit (HEL), an elastic-plastic ramp indicating substantial post-yield hardening, and finally a rise to the peak shocked Hugoniot state. The results of the experiments are used to determine the HEL, the shock velocity (U s ) vs. particle velocity (u p ) Hugoniot relation, and the longitudinal stress (σ x ) vs. specific volume (V) curve for the samples. The HEL of the material was determined to lie between 4.41 GPa and 4.58 GPa. The U s - u p relation was determined to be U s = 4.97 + 1. 457u p for particle velocities greater than 0.75 km/s. The measured plastic shock velocities for particle velocities less than 0.7 km/s were found to be larger than those predicted using the linear U s - u p Hugoniot relationship, indicating the cemented WC samples to preserve substantial shear strength in the post-yield deformation region. No phase transformation was observed up to 100 GPa.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Nonideal mixing effects in warm dense matter studied with first-principles computer simulations

Here, we study nonideal mixing effects in the regime of warm dense matter (WDM) by computing the shock Hugoniot curves of BN, MgO, and MgSiO 3 . First, we derive these curves from the equations of state (EOS) of the fully interacting systems, which were obtained using a combination of path integral Monte Carlo calculations at high temperature and density functional molecular dynamics simulations at lower temperatures. We then use the ideal mixing approximation at constant pressure and temperature to rederive these Hugoniot curves from the EOS tables of the individual elements. We find that the linear mixing approximation works remarkably well at temperatures above ~2 × 10 5 K, where the shock compression ratio exceeds ~3.2. The shape of the Hugoniot curve of each compound is well reproduced. Regions of increased shock compression, which emerge because of the ionization of L and K shell electrons, are well represented, and the maximum compression ratio of the Hugoniot curves is reproduced with high precision. Some deviations are seen near the onset of the L shell ionization regime, where ionization equilibrium in the fully interacting system cannot be well reproduced by the ideal mixing approximation. This approximation also breaks down at lower temperatures, where chemical bonds play an increasingly important role. However, the results imply that the equilibrium properties of binary and ternary mixtures in the regime of WDM can be derived from the EOS tables of the individual elements. This significantly simplifies the characterization of binary and ternary mixtures in the WDM and plasma phases, which otherwise requires large numbers of more computationally expensive first-principles computer simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

The sodium chloride primary pressure gauge

The failure of a central force model for sodium chloride is discussed. It is noted that it does not closely satisfy the Cauchy conditions at low temperatures, and that it fails the central force requirement of the Love condition. The available shock data for sodium chloride and its analysis is examined, and two reasons why the Hugoniot transformation pressure is likely to be less than 231 kbar are discussed. The important (but unjustified) theoretical assumptions made in converting Hugoniot to isothermal data is discussed; it is noted that serious error can enter for very large pressures for a given material and that at such high pressures the isothermal data should thus be considered only semiquantitative even if the Hugoniot data itself is accurate. An alternate method of estimating the isothermal transformation pressure from the Hugoniot transformation pressure is used. This method is based on the temperature derivative of the transformation pressure. On this basis it is concluded that an upper bound for the isothermal transformation of NaCl (to a CsCl-type structure) at room temperature is 257 kbar; it is noted that the actual value may be considerably less than this.

Ruoff, A. L.↗
NASA NTRS1983

Shock-wave properties and high-pressure equations of state of geophysically important materials

Shock wave (Hugoniot), shock temperature, and release data are presented for several geophysically important, refractory materials. A sensitive multichannel optical pyrometer was developed to measure shock temperatures (2500 to 5600 K at pressures from 48 to 117 GPa) in anorthite (CaAl2Si2O8) glass. Shock temperatures of 3750 to 6000 K at pressures from 140 to 182 GPa were measured in calcium oxide (CaO). Temperature data were used to constrain the energetics of the B1-B2 phase transition at 70 GPa in CaO, and to construct a finite strain equation of state for CaO consistent with previous Hugoniot data. The CaO equation of state was used with equation of state parameters of other oxides to construct a theoretical mixed oxide Hugoniot of anorthite, which is in agreement with new Hugoniot data above about 50 GPa, determined using experimental techniques developed. The mixed oxide model, however, overestimates the shock temperatures, and does not accurately predict measured release paths.

Boslough, M. B.↗
DOE OSTI2021

Shock compression response of additively manufactured AlSi10Mg

We measured the Hugoniot, Hugoniot elastic limit (HEL), and spallation strength of laser powder bed fusion (LPBF) AlSi10Mg via uniaxial plate-impact experiments to stresses greater than 13 GPa. Despite its complex anisotropic microstructure, the LPBF AlSi10Mg did not exhibit significant orientation dependence or sample-to-sample variability in these measured quantities. We found that the Hugoniot response of the LPBF AlSi10Mg is similar to that of other Al-based alloys and is well approximated by a linear relationship: u s = 5.49 + 1.39u p . Additionally, the measured HELs ranged from 0.25 to 0.30 GPa and spallation strengths ranged from 1.16 to 1.45 GPa, consistent with values reported in other studies of LPBF AlSi10Mg and Al-based alloys. Furthermore, strain-rate and stress dependence of the spallation strength were also observed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dynamic response of 17-4 stainless steel as a function of manufacturing method and heat treatment

We present a series of plate-impact experiments on 17-4 stainless steel to study the effect of manufacturing method and heat treatment on the Hugoniot elastic limit (HEL), Hugoniot, phase transformation stress, and spallation strength. Two traditional manufacturing methods were considered, wrought processing and casting, as well as two additive manufacturing methods, laser powder-bed fusion (LPBF) and wire-fed electron beam (EBAM). For both LPBF and EBAM 17-4 stainless steel variants, two billets were printed, enabling the application of two unique heat treatments. The HEL stress depended heavily on the thermal history, with the HEL increasing after the formation of Cu-rich precipitates via heat treatment. The Hugoniot response both below and above the phase transition was unaffected by the manufacturing method or heat treatment. The phase transition stress depended heavily on the thermal history, with its variation being attributed to the presence of various microstructural features. This is supported by a marked increase in the phase transition stress after precipitation hardening. These results suggest that the notion of the phase transition stress being dictated by bulk composition is an oversimplification and the stress fields generated by the meso-scale structure are a dominant force. The spallation strength was lower in the cast material compared to all other 17-4 stainless steel variants due to the presence of brittle δ-ferrite inclusions. Additionally, a drop in the tensile strain-rate was observed in the spallation response above the phase transition stress, which was hypothesized to stem from the kinetics of the reversion to the low-pressure phase during spall.

Compressive stress↗
DOE OSTI2020

Direct Observation of Shock‐Induced Disordering of Enstatite Below the Melting Temperature

Abstract We report in situ structural measurements of shock‐compressed single crystal orthoenstatite up to 337 ± 55 GPa on the Hugoniot, obtained by coupling ultrafast X‐ray diffraction to laser‐driven shock compression. Shock compression induces a disordering of the crystalline structure evidenced by the appearance of a diffuse X‐ray diffraction signal at nanosecond timescales at 80 ± 13 GPa on the Hugoniot, well below the equilibrium melting pressure (>170 GPa). The formation of bridgmanite and post‐perovskite have been indirectly reported in microsecond‐scale plate‐impact experiments. Therefore, we interpret the high‐pressure disordered state we observed at nanosecond scale as an intermediate structure from which bridgmanite and post‐perovskite crystallize at longer timescales. This evidence of a disordered structure of MgSiO 3 on the Hugoniot indicates that the degree of polymerization of silicates is a key parameter to constrain the actual thermodynamics of shocks in natural environments.

Hernandez, J. ‐A.↗
DOE OSTI2021

Understanding the evolution of liquid and solid microjets from grooved Sn and Cu samples using radiography

Experiments were performed on grooved Sn and Cu samples to study the temporal evolution of microjets. Jets were generated by the impact of gun-launched flyer plates against the back of grooved targets made from either Cu or Sn (groove depth of ~250 μm). The Hugoniot states in the various Sn targets encompassed conditions where solid phases are maintained throughout (7 and 16 GPa) and also conditions where melting occurs upon the release of compression (25 and 34 GPa); the transition occurs near a Hugoniot pressure of 23 GPa. Cu targets at 27 and 56 GPa provide comparisons in which the jets move at similar speeds but remain solid. In all cases, the spatial distribution of mass within the microjets was measured using high-speed synchrotron radiography. The result is a time history of the jet thickness profile from which quantities like total jet mass and jet velocity can be derived. In both the solid and liquid states, we generally observe that an increase in the shock strength leads to an increase in jet mass. However, this trend breaks down for Hugoniot states near the transition from continuously solid to melted-on-release. This is evidenced by the observation that there was no difference in the rate of mass flow in Sn jets at 16 and 25 GPa, while similar pressure jumps on either side of this range caused substantial changes in the jet mass. This contrasts with the behavior of smaller polishing defects that were present on the same samples (~1 μm deep). From these, no ejecta mass was detected below the melt boundary, but obvious microjets were generated once melting occurred. This indicates that crossing the bulk melt-on-release threshold can alternately promote or inhibit the flow of mass into microjets based on the amplitude of the initial perturbation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Shock compression of poly(methyl methacrylate) PMMA in the 1000 GPa regime: Z machine experiments

Hydrocarbon polymers are used in a wide variety of practical applications. In the field of dynamic compression at extreme pressures, these polymers are used at several high energy density (HED) experimental facilities. One of the most common polymers is poly(methyl methacrylate) or PMMA, also called Plexiglass® or Lucite®. Here, we present high-fidelity, hundreds of GPa range experimental shock compression data measured on Sandia’s Z machine. We extend the principal shock Hugoniot for PMMA to more than threefold compression up to 650 GPa and re-shock Hugoniot states up to 1020 GPa in an off-Hugoniot regime, where experimental data are even sparser. These data can be used to put additional constraints on tabular equation of state (EOS) models. The present results provide clear evidence for the need to re-examine the existing tabular EOS models for PMMA above ~120 GPa as well as perhaps revisit EOSs of similar hydrocarbon polymers commonly used in HED experiments investigating dynamic compression, hydrodynamics, or inertial confinement fusion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Dynamic response of additively manufactured Ti–5Al–5V–5Mo–3Cr as a function of heat treatment

Both shock and shockless compression experiments were performed on laser powder bed fusion (LPBF) Ti–5Al–5V–5Mo–3Cr (Ti-5553) to peak compressive stresses near 15 GPa. Experiments were performed on the as-built material, containing a purely β (body centered cubic) microstructure, and two differing heat treatments resulting in a dual phase α (hexagonal close packed) and β microstructure. The Hugoniot, Hugoniot elastic limit (HEL), and spallation strength were measured and compared to wrought Ti-6Al-4V (Ti-64). The results indicate the LPBF Ti-5553 Hugoniot response is similar between heat treatments and to Ti-64. The HEL stress observed in the LPBF Ti-5553 was considerably higher than Ti-64, with the as-built, fully β alloy exhibiting the largest values. The spallation strength of the LPBF Ti-5553 was also similar to Ti-64. Clear evidence of initial porosity serving as initiation sites for spallation damage was observed when comparing computed tomography measurements before and after loading. Post-mortem scanning electron microscopy images of the recovered spallation samples showed no evidence of retained phase changes near the spall plane. The spall plane was found to have kinks aligned with the loading direction near areas with large concentrations of twin-like, crystallographic defects in the as-built condition. For the heat-treated samples, the concentrations of twin-like, crystallographic defects were absent, and no preference for failure at the interface between the α and β phases was observed.

36 MATERIALS SCIENCE↗
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↗
DOE OSTI2021

Sound speed measurements in silver shock compressed to 300 GPa: Solid-state transition, melting, and liquid-state response

To gain insight into the thermodynamic response of shock compressed Ag states corresponding to the face-centered-cubic (fcc) to body-centered-cubic (bcc) transformation and melting observed using in-situ x-ray diffraction (XRD) measurements, we present longitudinal sound speed results and their analysis in Ag at peak stresses ranging from 60 to 300 GPa. The measured sound speeds increased linearly with density compression to 171 GPa, showing that the sound speeds (and longitudinal moduli) in the fcc and bcc phases are very similar. Between 171 and 218 GPa, the sound speed dropped significantly, consistent with the melting reported using XRD measurements in shock compressed Ag. From 218 to 300 GPa, the increasing sound speeds and Hugoniot states provide a determination of the liquid phase Ag response. In particular, determination of the Grüneisen parameter (Γ) showed that the density – Grüneisen parameter product (ρΓ) for liquid Ag is constant, but differs significantly from that for solid Ag at ambient conditions. Furthermore, the Mie- Grüneisen equation of state can be used to describe the Hugoniot and off-Hugoniot response of liquid Ag.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Argon equation of state data to 1 TPa: Shock compression experiments and simulations

Argon is the most abundant noble gas on Earth and its noble, atomic fluid nature makes it an excellent candidate for comparison of experiment and theory at extreme conditions. For this study, we performed a combined computational and experimental study on shock compressed cryogenic liquid argon. Using Sandia's Z machine, we shock compressed liquid argon to 600 GPa and reshock states up to 950 GPa. Laser shock experiments at the Omega Laser facility extend the principal Hugoniot to 1000 GPa and provided temperature data along the principal Hugoniot. The plate impact experiments and laser shock experiments used well-characterized impedance matching standards and demonstrate consistent results between the two platforms over a common range. Density functional theory based molecular dynamics simulations provided additional data on the Hugoniot to 600 GPa. The combined experimental data and simulation results provide constraints on the development of new equation of state models at extreme conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

First-principles equation of state database for warm dense matter computation

We put together a first-principles equation of state (FPEOS) database for matter at extreme conditions by combining results from path integral Monte Carlo and density functional molecular dynamics simulations of the elements H, He, B, C, N, O, Ne, Na, Mg, Al, and Si as well as the compounds LiF , B 4 C , BN , CH 4 , CH 2 , C 2 H 3 , CH , C 2 H , MgO , and MgSiO 3 . For all these materials, we provide the pressure and internal energy over a density-temperature range from ~ 0.5 to 50 g cm - 3 and from ~ 10 4 to 10 9 K, which are based on ~ 5000 different first-principles simulations. We compute isobars, adiabats, and shock Hugoniot curves in the regime of L - and K -shell ionization. Invoking the linear mixing approximation, we study the properties of mixtures at high density and temperature. Furthermore, we derive the Hugoniot curves for water and alumina as well as for carbon-oxygen, helium-neon, and CH-silicon mixtures. We predict the maximal shock compression ratios of H 2 O , H 2 O 2 , Al 2 O 3 , CO , and CO 2 to be 4.61, 4.64, 4.64, 4.89, and 4.83, respectively. Finally we use the FPEOS database to determine the points of maximum shock compression for all available binary mixtures. We identify mixtures that reach higher shock compression ratios than their end members. We discuss trends common to all mixtures in pressure-temperature and particle-shock velocity spaces. In the Supplemental Material, we provide all FPEOS tables as well as computer codes for interpolation, Hugoniot calculations, and plots of various thermodynamic functions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamics

Accurately modeling dense plasmas over wide-ranging conditions of pressure and temperature is a grand challenge critically important to our understanding of stellar and planetary physics as well as inertial confinement fusion. In this work, we employ Kohn-Sham density functional theory (DFT) molecular dynamics (MD) to compute the properties of carbon at warm and hot dense matter conditions in the vicinity of the principal Hugoniot. In particular, we calculate the equation of state (EOS), Hugoniot, pair distribution functions, and diffusion coefficients for carbon at densities spanning 8 g/$\mathrm{cm^3}$ to 16 g/$\mathrm{cm^3}$ and temperatures ranging from 100 kK to 10 MK using the Spectral Quadrature method. Here, we find that the computed EOS and Hugoniot are in good agreement with path integral Monte Carlo results and the sesame database. Additionally, we calculate the ion-ion structure factor and viscosity for selected points. All results presented are at the level of full Kohn-Sham DFT-MD, free of empirical parameters, average-atom, and orbital-free approximations employed previously at such conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1980

Anorthite - Thermal equation of state to high pressures

New shock-wave data are presented for anorthite from which a full high-temperature, high-pressure equation of state is derived. Whereas anorthite has relatively low values of thermal expansion and Grueneisen parameter at zero pressure, it is found that these attain relatively high values in the high density state corresponding to the high-pressure phase Hugoniot but decrease upon compression as expected. It is noted that higher order anharmonic contributions decrease more rapidly with pressure and that the thermal expansion therefore saturates to a high temperature value at pressures above about 100 GPa. Reduction of the Hugoniot data permits shock temperatures to be calculated; it also yields a principal adiabat for the high pressure branch of the Hugoniot. The initial bulk modulus of this adiabat is essentially identical to that of anorthite, whereas the initial density is about 3.40 Mg/cu m.

Jeanloz, R.↗
NASA NTRS1991

Equation of state of heated glassy carbon

New Hugoniot data are presented for glassy carbon preheated to 1550 K and shocked to 20 GPa. The high-temperature Hugoniot is very similar to the principal Hugoniot. This results argues against the diffusional mechanism for the shock-induced transformaton of amorphous carbon to diamond, although the present results are obviously limited to below 20 GPa. This study provides the first Higoniot data for carbon preheated to significantly high temperatures.

Sekine, Toshimori↗