First Principles Molecular Dynamics of Dense Plasmas

Michael P. Surh, T. W. Barbee, III, and L. H. Yang
Phys. Rev. Lett. 86, 5958 – Published 25 June 2001
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Abstract

Ab initio molecular dynamics calculations are performed for the equation of state of aluminum, spanning condensed matter and dense plasma regimes. Electronic exchange and correlation are included with either a zero- or finite-temperature local density approximation potential. Standard methods are extended to above the Fermi temperature by using final state pseudopotentials to describe thermally excited ion cores. The predicted Hugoniot equation of state agrees well with earlier plasma theories and with experiment for temperatures from 0 to 3×106K.

  • Received 25 October 2000

DOI:https://doi.org/10.1103/PhysRevLett.86.5958

©2001 American Physical Society

Authors & Affiliations

Michael P. Surh, T. W. Barbee, III, and L. H. Yang

  • Lawrence Livermore National Laboratory, University of California, Livermore, California 94551

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Issue

Vol. 86, Iss. 26 — 25 June 2001

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