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

Abstract

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]
  1. Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China)
Publication Date:
OSTI Identifier:
22220616
Resource Type:
Journal Article
Journal Name:
Physics of Plasmas
Additional Journal Information:
Journal Volume: 20; Journal Issue: 9; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1070-664X
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

Citation Formats

Wang, Cong, Zhang, Ping, and Center for Applied Physics and Technology, Peking University, Beijing 100871. Wide range equation of state for fluid hydrogen from density functional theory. United States: N. p., 2013. Web. doi:10.1063/1.4821839.
Wang, Cong, Zhang, Ping, & Center for Applied Physics and Technology, Peking University, Beijing 100871. Wide range equation of state for fluid hydrogen from density functional theory. United States. https://doi.org/10.1063/1.4821839
Wang, Cong, Zhang, Ping, and Center for Applied Physics and Technology, Peking University, Beijing 100871. 2013. "Wide range equation of state for fluid hydrogen from density functional theory". United States. https://doi.org/10.1063/1.4821839.
@article{osti_22220616,
title = {Wide range equation of state for fluid hydrogen from density functional theory},
author = {Wang, Cong and Zhang, Ping and Center for Applied Physics and Technology, Peking University, Beijing 100871},
abstractNote = {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.},
doi = {10.1063/1.4821839},
url = {https://www.osti.gov/biblio/22220616}, journal = {Physics of Plasmas},
issn = {1070-664X},
number = 9,
volume = 20,
place = {United States},
year = {Sun Sep 15 00:00:00 EDT 2013},
month = {Sun Sep 15 00:00:00 EDT 2013}
}