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

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.
Authors:
;  [1] ;  [2]
  1. Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China)
  2. (China)
Publication Date:
OSTI Identifier:
22220616
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physics of Plasmas; Journal Volume: 20; Journal Issue: 9; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
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