Wide range equation of state for fluid hydrogen from density functional theory

Journal Article · Sun Sep 15 00:00:00 EDT 2013 · Physics of Plasmas

DOI:https://doi.org/10.1063/1.4821839· OSTI ID:22220616

Wang, Cong; Zhang, Ping ^[1]

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1. Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China)

Wide range equation of state (EOS) for liquid hydrogen is ultimately obtained by combining two kinds of density functional theory (DFT) molecular dynamics simulations, namely, first-principles molecular dynamics simulations and orbital-free molecular dynamics simulations. Specially, the present introduction of short cutoff radius pseudopotentials enables the EOS to be available in the range from 9.82 × 10{sup −4} to 1.347 × 10{sup 3} g/cm{sup 3} and up to 5 × 10{sup 7} K. By comprehensively comparing with various attainable experimental and theoretical data, we derive the conclusion that our DFT-EOS can be readily and reliably applied to hydrodynamic simulations of the inertial confinement fusion.

• OSTI ID: 22220616
• Journal Information: Physics of Plasmas, Vol. 20, Issue 9; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 1070-664X
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BRILLOUIN ZONES
DENSITY FUNCTIONAL METHOD
EQUATIONS OF STATE
HYDRODYNAMICS
HYDROGEN
INERTIAL CONFINEMENT
MOLECULAR DYNAMICS METHOD
SIMULATION