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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

First-principles simulation of a shocked H-He mixture along the principal Hugoniot

Recent laser-shock experiments on an H–He mixture containing 11% helium (atomic fraction) have suggested the presence of an immiscibility region inside Jupiter. Reflectivity measurements were used as the primary diagnostic of H–He demixing, with discontinuities in the optical reflectivity proposed as a signature of phase separation under conditions relevant to Jupiter's interior. Here, we investigate shock-compressed H–He using ab initio molecular dynamics simulations with optical properties evaluated within the Kubo–Greenwood formalism. The equation of state and ionic configurations were obtained using the thermal Tr 2 SCANL meta-GGA exchange–correlation (XC) functional, while optical properties were computed using the recently developed RS-KDT0 range-separated thermal hybrid XC, which provides state-of-the-art accuracy for band-gap predictions in the warm dense matter regime. The calculated reflectivity shows overall good agreement with experimental measurements; however, no discontinuity is observed at elevated temperatures. Moreover, the reflectivity predictions for the mixed system are consistent with the experimental measurements in the temperature range where the mixture is inferred to be demixed. Furthermore, these results suggest that reflectivity alone may not provide a unique or sensitive diagnostic of H–He demixing at low helium concentrations under these conditions.

Density functional calculations↗
NASA NTRS1980

Shock effects in olivine and implications for Hugoniot data

New observations of shock deformation in single-crystal olivine are presented for the range in peak pressures from about 16 to 75 GPa. A nonequilibrium model is suggested for the behavior of olivine under shock which explains the densification associated with a mixed-phase region and which is consistent with all available observations, yet which bears little similarity to the equilibrium behavior of olivine at high pressure.

Jeanloz, R.↗
NASA NTRS1985

Fast and optimal solution to the Rankine-Hugoniot problem

A new, definitive, reliable and fast iterative method is described for determining the geometrical properties of a shock (i.e., theta sub Bn, yields N, V sub s and M sub A), the conservation constants and the self-consistent asymptotic magnetofluid variables, that uses the three dimensional magnetic field and plasma observations. The method is well conditioned and reliable at all theta sub Bn angles regardless of the shock strength or geometry. Explicit proof of uniqueness of the shock geometry solution by either analytical or graphical methods is given. The method is applied to synthetic and real shocks, including a bow shock event and the results are then compared with those determined by preaveraging methods and other iterative schemes. A complete analysis of the confidence region and error bounds of the solution is also presented.

Vinas, A. F.↗
NASA NTRS1986

Fast and optimal solution to the 'Rankine-Hugoniot problem'

A new, definitive, reliable and fast iterative method is described for determining the geometrical properties of a shock (i.e., theta sub Bn, yields N, V sub s and M sub A), the conservation constants and the self-consistent asymptotic magnetofluid variables, that uses the three dimensional magnetic field and plasma observations. The method is well conditioned and reliable at all theta sub Bn angles regardless of the shock strength or geometry. Explicit proof of uniqueness of the shock geometry solution by either analytical or graphical methods is given. The method is applied to synthetic and real shocks, including a bow shock event and the results are then compared with those determined by preaveraging methods and other iterative schemes. A complete analysis of the confidence region and error bounds of the solution is also presented.

Vinas, A. F.↗
NASA NTRS1991

Effect of void-size distribution on the Hugoniot state at low shock pressures

In most theoretical and experimental investigations into the shock response of underdense solid media, the influence of the medium's mesostructure on the resulting pressure and degree of compaction has not been taken into account. In typical cases examined, shock pressures are well in excess of 1 GPa and this approach is clearly justified. However, at low pressures, calculations show that the distribution of void sizes can affect the final state achieved upon shocking the medium from a given initial porosity. This paper analyzes the response of porous aluminum to low pressure shocking and demonstrates a dependence of the final shocked state on the distribution of void sizes.

Griffiths, David J.↗
NASA NTRS1994

An improved solution to the 'Rankine-Hugoniot' problem

This paper presents an extension of the nonlinear least squares fitting technique of Vinas and Scudder (1986) (VS), which finds the physical and geometrical properties of nondissipational magnetohydrodynamic (MHD) shocks. The new method incorporates plasma temperature observations in the form of normal momentum flux and energy density flux conservation as well as plasma density, velocity, and magnetic field data. The new technique is capable of using known standard deviations in the individual measurement points to properly weight the fitting procedure. The new fitting code is validated through the analysis of synthetic shocks with known physical and geometrical properties. Finally, it is compared to the original VS method and the preaveraged velocity coplanarity technique.

Szabo, A.↗
DOE OSTI2025

Fluid-like shock compression of dilute polymer nanocomposites

The shock Hugoniot of heterogenous mixtures of discrete particles has been experimentally investigated for porous agglomerates and fluids, while the study of full-density solids has been primarily limited to compressed powders and high-dimensional composites. By dispersing ceria nanoparticles in a polyethylene matrix, we are able to examine the hydrodynamic behavior of a nonporous, heterogenous solid in thermal equilibrium during weak shock compression. Phase-driven discontinuities in the Hugoniot particle velocity–shock velocity (u−D) relationship of pure polyethylene are replicated in the nanocomposites but are shifted to lower velocity and to higher pressure with higher particle concentration. The results are explained using an isothermal, two-velocity fluid model under the hydrodynamic approximation. The model, which assumes a theoretical equation-of-state for ceria and either a low-order or high-order fit to the measured polyethylene Hugoniot, reasonably predicts the Hugoniot for two different polyethylene/ceria nanocomposites. Using the model, the mixture Hugoniot is shown to be insensitive to the Hugoniot of the stiffer constituent when the moduli are sufficiently disparate, while dependence on particle density and volume fraction is preserved through fluid-like motion.

Moore, Nathan W. [Sandia National Laboratories (SN↗
DOE OSTI2026

A Tutorial on Bayesian analysis of linear shock compression data

Gas gun and other shock compression experiments often produce shock wave velocity measurements that are linearly associated with particle velocity. Traditionally, this empirical relationship is quantified with a single Hugoniot curve that is estimated using least squares regression. However, for downstream modeling and simulation tasks, it is often more useful to have multiple Hugoniot curves in the pressure–volume plane that are consistent with the data. We employ Bayesian uncertainty quantification methods as a framework for propagating measurement uncertainty through to model parameters and predictions. Specifically, this Tutorial shows how to sample multiple Hugoniot curves in the pressure–volume plane that are consistent with the shock wave-particle velocity measurements in a two-step Bayesian approach. First, we obtain an analytical expression for the posterior distribution of the linear model parameters using Bayesian linear regression. Second, we propagate samples from the posterior distribution through the Rankine–Hugoniot equations to yield Hugoniot curves in the pressure–volume plane. The procedure is demonstrated with publicly available data on argon, copper, and nickel, and compared against bootstrapping and linear regression. The Bayesian procedure is shown to be interpretable, computationally inexpensive, and less sensitive than an alternative bootstrapping approach to the removal of the point in the copper dataset that has the largest particle velocity. As a Tutorial on Bayesian methodology for the shock compression community, we provide several derivations and explanations that make this paper self-contained, and make all code and data available at github.com/llnl/BALSCD.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Pressure-temperature equation of state of Al 2 ⁢O 3 up to 14 Mbar and 40 kK

Sapphire (Al 2 ⁢O 3 ), known for its remarkable incompressibility at ambient conditions, plays a pivotal role in both static and dynamic compression research. Accurately characterizing its equation of state (EoS) is essential for these applications. Here, we present a complete Hugoniot of Al 2 ⁢ O 3 as locus of experimentally assessed, high-precision, pressure, density and temperature states up to 14 Mbar and 43 kK. The Hugoniot is established with single shock experiments using magnetically launched hyper velocity flyers on the Z Accelerator at Sandia National Laboratories. We explore principal Hugoniot states at very high shock 𝑇 and 𝑝 in the solid phase, tracking the solid-liquid boundary and culminating at 2.4-fold compression, where data provides a direct constraint on the liquid phase. Corresponding shock release data probe thermodynamic states complementary to the Hugoniot and place additional constraints on tabular EoS models. Our findings indicate a significant deviation from existing tabular EoS models for Al 2 ⁢ O 3 dictating a comprehensive overhaul. We develop two advanced EoSs for Al 2 ⁢ O 3 the SESAME 97412 model, featuring an extensive phase diagram that includes three solid phases and the liquid phase, and the updated LEOS 2200m2 model. EoS development is assisted with Quantum Molecular Dynamics simulations. Our experimental data allows for stringent testing of our EoSs. Both models accurately capture the Hugoniot of Al 2 ⁢O 3 up to the highest pressures and temperatures. Rigorous experimental determination of extreme pressures and temperatures, paired with sophisticated models, advances the frontier of EoS development beyond 1 terapascal.

Kalita, Patricia [Sandia National Laboratories (SN↗
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.↗
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 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↗
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↗
NASA NTRS1994

The subcritical, quasi-parallel, switch-on shock

The conditions that lead to subcritical, quasi-parallel bow shocks are very rare. Even more rarely, a subcritical, quasi-parallel shock can also be termed a switch-on shock, where the tangential component of the magnetic field, which is very small upstream, is said to 'switch on' downstream. The Rankine-Hugoniot conservation relations predict that the jump in the tangential component of the magnetic field across the shock is very large for these upstream conditions. In this study, we find that the measured jumps in the plasma conditions are in accord with predictions made by the Rankine-Hugoniot conservation relations. The structure of the switch-on shock, not predicted by the Rankine-Hugoniot equations, is very similar to that of the subcritical, quasi-perpendicular shock, with the exception that the precursor wave in front of the shock ramp damps more slowly.

Farris, M. H.↗