Pairdistribution functions of twotemperature twomass systems: Comparison of molecular dynamics, classicalmap hypernetted chain, quantum Monte Carlo, and KohnSham calculations for dense hydrogen
Abstract
Twotemperature, twomass quasiequilibrium plasmas may occur in electronion plasmas, nuclearmatter, as well as in electronhole condensedmatter systems. Dense twotemperature hydrogen plasmas straddle the difficult partially degenerate regime of electron densities and temperatures which are important in astrophysics, in inertialconfinement fusion research, and other areas of warm densematter physics. Results from quantum Monte Carlo (QMC) are used to benchmark the procedures used in classical moleculardynamics simulations and hypernetted chain (HNC) and classicalmap HNC (CHNC) methods to derive electronelectron and electronproton pairdistribution functions. Where QMC is not available, we used KohnSham results as the reference calculation. Then, nonequilibrium molecular dynamics for twotemperature, twomass 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 pairdistribution functions in twotemperature twomass twocomponent charged fluids are established and results for a mass ratio of 1:5, typical of electronhole fluids, are presented.
 Authors:

 National Research Council of Canada, Ottawa, Canada K1A 0R6 (Canada)
 Publication Date:
 OSTI Identifier:
 21101944
 Resource Type:
 Journal Article
 Journal Name:
 Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics (Print)
 Additional Journal Information:
 Journal Volume: 77; Journal Issue: 2; Other Information: DOI: 10.1103/PhysRevE.77.026401; (c) 2008 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 15393755
 Country of Publication:
 United States
 Language:
 English
 Subject:
 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; 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
Citation Formats
Dharmawardana, M W. C., Murillo, Michael S, and Physics Division, MS D410, Los Alamos National Laboratory, Los Alamos, New Mexico 87545. Pairdistribution functions of twotemperature twomass systems: Comparison of molecular dynamics, classicalmap hypernetted chain, quantum Monte Carlo, and KohnSham calculations for dense hydrogen. United States: N. p., 2008.
Web. doi:10.1103/PHYSREVE.77.026401.
Dharmawardana, M W. C., Murillo, Michael S, & Physics Division, MS D410, Los Alamos National Laboratory, Los Alamos, New Mexico 87545. Pairdistribution functions of twotemperature twomass systems: Comparison of molecular dynamics, classicalmap hypernetted chain, quantum Monte Carlo, and KohnSham calculations for dense hydrogen. United States. doi:10.1103/PHYSREVE.77.026401.
Dharmawardana, M W. C., Murillo, Michael S, and Physics Division, MS D410, Los Alamos National Laboratory, Los Alamos, New Mexico 87545. Fri .
"Pairdistribution functions of twotemperature twomass systems: Comparison of molecular dynamics, classicalmap hypernetted chain, quantum Monte Carlo, and KohnSham calculations for dense hydrogen". United States. doi:10.1103/PHYSREVE.77.026401.
@article{osti_21101944,
title = {Pairdistribution functions of twotemperature twomass systems: Comparison of molecular dynamics, classicalmap hypernetted chain, quantum Monte Carlo, and KohnSham calculations for dense hydrogen},
author = {Dharmawardana, M W. C. and Murillo, Michael S and Physics Division, MS D410, Los Alamos National Laboratory, Los Alamos, New Mexico 87545},
abstractNote = {Twotemperature, twomass quasiequilibrium plasmas may occur in electronion plasmas, nuclearmatter, as well as in electronhole condensedmatter systems. Dense twotemperature hydrogen plasmas straddle the difficult partially degenerate regime of electron densities and temperatures which are important in astrophysics, in inertialconfinement fusion research, and other areas of warm densematter physics. Results from quantum Monte Carlo (QMC) are used to benchmark the procedures used in classical moleculardynamics simulations and hypernetted chain (HNC) and classicalmap HNC (CHNC) methods to derive electronelectron and electronproton pairdistribution functions. Where QMC is not available, we used KohnSham results as the reference calculation. Then, nonequilibrium molecular dynamics for twotemperature, twomass 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 pairdistribution functions in twotemperature twomass twocomponent charged fluids are established and results for a mass ratio of 1:5, typical of electronhole fluids, are presented.},
doi = {10.1103/PHYSREVE.77.026401},
journal = {Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics (Print)},
issn = {15393755},
number = 2,
volume = 77,
place = {United States},
year = {2008},
month = {2}
}