4.4 Article

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

期刊

PHYSICS OF PLASMAS
卷 20, 期 9, 页码 -

出版社

AIP Publishing
DOI: 10.1063/1.4821839

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资金

  1. NSFC [11275032, 11005012, 51071032]
  2. foundation for Development of Science and Technology of China Academy of Engineering Physics [2013B0102019]
  3. National Basic Security Research Program of China
  4. National High-Tech ICF Committee of China

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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 x 10(-4) to 1.347 x 10(3) g/cm(3) and up to 5 x 10(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. (C) 2013 AIP Publishing LLC.

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