First Principles Calculations of Shock Compressed Fluid Helium

Abstract

The properties of hot dense helium at megabar pressures were studied with two first-principles computer simulation techniques, path integral Monte Carlo and density functional molecular dynamics. The simulations predicted that the compressibility of helium is substantially increased by electronic excitations that are present in the hot fluid at thermodynamic equilibrium. A maximum compression ratio of 5.24(4)-fold the initial density was predicted for 360 GPa and 150000 K. This result distinguishes helium from deuterium, for which simulations predicted a maximum compression ratio of 4.3(1). Hugoniot curves for statically precompressed samples are also discussed.

Accepted to publication in Physical Review Letters

References in corpus (5)

• Path Integral Monte Carlo Calculation of the Deuterium Hugoniot
• Calculation of a Deuterium Double Shock Hugoniot from Ab initio Simulations
• Variational Density Matrix Method for Warm Condensed Matter and Application to Dense Hydrogen
• Free-energy model for fluid helium at high density
• Calculation of Shock Hugoniot Curves of Precompressed Liquid Deuterium

Cited by in corpus (41)

• FPEOS: A First-Principles Equation of State Table of Deuterium for Inertial Confinement Fusion Applications
• Hydrogen-Helium Mixtures in the Interiors of Giant Planets
• The physical properties of extrasolar planets
• Ab Initio Equation of State for Hydrogen-Helium Mixtures with Recalibration of the Giant-Planet Mass-Radius Relation
• A multiphase equation of state for carbon addressing high pressures and temperatures
• Ab initio thermodynamic results for the degenerate electron gas at finite temperature
• All-Electron Path Integral Monte Carlo Simulations of Warm Dense Matter: Application to Water and Carbon Plasmas
• First-Principles Equation of State Database for Warm Dense Matter Computation
• Path Integral Monte Carlo and Density Functional Molecular Dynamics Simulations of Hot, Dense Helium
• Exact conditions and scaling relations in finite temperature density functional theory
• Jupiter internal structure: the effect of different equations of state
• First principles simulations of dense hydrogen
• Extended First-Principles Molecular Dynamics Method From Cold Materials to Hot Dense Plasmas
• Understanding Jupiter's Interior
• Quantum molecular dynamics simulations for the nonmetal-to-metal transition in fluid helium
• First-Principles Equation of State Calculations of Warm Dense Nitrogen
• Fermionic path integral Monte Carlo results for the uniform electron gas at finite temperature
• First-Principles Equation of State and Electronic Properties of Warm Dense Oxygen
• First-principles Equation of State and Shock Compression Predictions of Warm Dense Hydrocarbons
• Ab initio path integral Monte Carlo approach to the momentum distribution of the uniform electron gas at finite temperature without fixed nodes
• Ab Initio Simulations of Hot, Dense Methane During Shock Experiments
• First-Principles Prediction of the Softening of the Silicon Shock Hugoniot Curve
• Laser-Shock Compression and Hugoniot Measurements of Liquid Hydrogen to 55 GPa
• Path integral Monte Carlo simulations of dense carbon-hydrogen plasmas
• Equation of state of warm-dense boron nitride combining computation, modeling, and experiment
• Plasma physics and planetary astrophysics
• Equation of state and shock compression of warm dense sodium - a first-principles study
• Path Integral Monte Carlo and Density Functional Molecular Dynamics Simulations of Warm, Dense MgSiO${}_3$
• First-Principles Simulations of Warm Dense Lithium Fluoride
• Theoretical and experimental investigation of the equation of state of boron plasmas
• Study of Jupiter's Interior: Comparison of 2, 3, 4, 5, and 6 Layer Models
• One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures
• Ab Initio Investigation of a Possible Liquid-Liquid Phase Transition in MgSiO3 at Megabar Pressures
• Relation of Gravity, Winds, and the Moment of Inertia of Jupiter and Saturn
• Properties of Dense Fluid Hydrogen and Helium in Giant Gas Planets
• Magnesium Oxide at Extreme Temperatures and Pressures Studied with First-Principles Simulations
• Thermophysical properties of liquid carbon dioxide under shock compressions: Quantum molecular dynamic simulations
• Correlations in Hot Dense Helium
• Steric effects of CO2 binding to transition metal-benzene complexes: a first-principles study
• The Thermodynamical Instability Induced by Pressure Ionization in Fluid Helium
• Thermodynamic properties of the finite-temperature electron gas by the fermionic path integral Monte Carlo method