Pair-distribution functions of two-temperature two-mass systems: Comparison of molecular dynamics, classical-map hypernetted chain, quantum Monte Carlo, and Kohn-Sham calculations for dense hydrogen

Journal Article · Fri Feb 15 04:00:00 EST 2008 · Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics (Print)

DOI:https://doi.org/10.1103/PHYSREVE.77.026401· OSTI ID:21101944

Dharma-wardana, M W. C.; Murillo, Michael S ^[1]

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1. National Research Council of Canada, Ottawa, Canada K1A 0R6 (Canada)

Two-temperature, two-mass quasiequilibrium plasmas may occur in electron-ion plasmas, nuclear-matter, as well as in electron-hole condensed-matter systems. Dense two-temperature hydrogen plasmas straddle the difficult partially degenerate regime of electron densities and temperatures which are important in astrophysics, in inertial-confinement fusion research, and other areas of warm dense-matter physics. Results from quantum Monte Carlo (QMC) are used to benchmark the procedures used in classical molecular-dynamics simulations and hypernetted chain (HNC) and classical-map HNC (CHNC) methods to derive electron-electron and electron-proton pair-distribution functions. Where QMC is not available, we used Kohn-Sham results as the reference calculation. Then, nonequilibrium molecular dynamics for two-temperature, two-mass plasmas are used to obtain pair distribution functions without specifying the interspecies cross temperature. Using these results, the correct HNC and CHNC procedures for the evaluation of pair-distribution functions in two-temperature two-mass two-component charged fluids are established and results for a mass ratio of 1:5, typical of electron-hole fluids, are presented.

• OSTI ID: 21101944
• Journal Information: Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics (Print), Journal Name: Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics (Print) Journal Issue: 2 Vol. 77; ISSN 1539-3755
• Country of Publication: United States
• Language: English

Related Subjects

70 PLASMA PHYSICS AND FUSION TECHNOLOGY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
DISTRIBUTION FUNCTIONS
ELECTRON DENSITY
ELECTRON TEMPERATURE
ELECTRONS
HOLES
HYDROGEN
INERTIAL CONFINEMENT
ION TEMPERATURE
MAPS
MASS
MOLECULAR DYNAMICS METHOD
MONTE CARLO METHOD
NUCLEAR MATTER
PLASMA
PLASMA DENSITY
PLASMA SIMULATION
PROTONS
QUANTUM MECHANICS