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Title: Direct verification of mixing rules in the hot and dense regime

Abstract

We perform orbital-free molecular dynamics simulations in the hot and dense regime for two mixtures: equimolar helium-iron and asymmetric deuterium-copper plasmas. For thermodynamic properties, we test two isobaric-isothermal mixing rules whose definitions involve either the equality of total pressures or the equality of the so-defined excess pressures of the components; the pressure and internal energy obtained by direct simulations are in very good agreement with those given by the mixing rule involving the equality of excess pressures. The viscosity of the deuterium-copper mixture is also extracted from a direct simulation and compared to the result given by a mixing rule applied to the viscosities of the pure elements. Finally, for structural properties, the effective charges given by the isobaric-isothermal mixing rule for the average atom model, used in the binary ionic mixture model, yield partial pair distribution functions in good agreement with those obtained by a direct simulation.

Authors:
; ; ; ;  [1]
  1. Commissariat a l'Energie Atomique, Centre DAM Ile-de-France, Bruyeres-le-Chatel, 91297 Arpajon Cedex (France)
Publication Date:
OSTI Identifier:
21101945
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.77.026402; (c) 2008 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1539-3755
Country of Publication:
United States
Language:
English
Subject:
70 PLASMA PHYSICS AND FUSION TECHNOLOGY; ASYMMETRY; COPPER; DEUTERIUM; DISTRIBUTION FUNCTIONS; EFFECTIVE CHARGE; HELIUM; IRON; MIXING; MOLECULAR DYNAMICS METHOD; PLASMA; PLASMA SIMULATION; THERMODYNAMIC PROPERTIES; THERMODYNAMICS; VERIFICATION; VISCOSITY

Citation Formats

Lambert, F, Clerouin, J, Danel, J -F, Kazandjian, L, and Zerah, G. Direct verification of mixing rules in the hot and dense regime. United States: N. p., 2008. Web. doi:10.1103/PHYSREVE.77.026402.
Lambert, F, Clerouin, J, Danel, J -F, Kazandjian, L, & Zerah, G. Direct verification of mixing rules in the hot and dense regime. United States. https://doi.org/10.1103/PHYSREVE.77.026402
Lambert, F, Clerouin, J, Danel, J -F, Kazandjian, L, and Zerah, G. 2008. "Direct verification of mixing rules in the hot and dense regime". United States. https://doi.org/10.1103/PHYSREVE.77.026402.
@article{osti_21101945,
title = {Direct verification of mixing rules in the hot and dense regime},
author = {Lambert, F and Clerouin, J and Danel, J -F and Kazandjian, L and Zerah, G},
abstractNote = {We perform orbital-free molecular dynamics simulations in the hot and dense regime for two mixtures: equimolar helium-iron and asymmetric deuterium-copper plasmas. For thermodynamic properties, we test two isobaric-isothermal mixing rules whose definitions involve either the equality of total pressures or the equality of the so-defined excess pressures of the components; the pressure and internal energy obtained by direct simulations are in very good agreement with those given by the mixing rule involving the equality of excess pressures. The viscosity of the deuterium-copper mixture is also extracted from a direct simulation and compared to the result given by a mixing rule applied to the viscosities of the pure elements. Finally, for structural properties, the effective charges given by the isobaric-isothermal mixing rule for the average atom model, used in the binary ionic mixture model, yield partial pair distribution functions in good agreement with those obtained by a direct simulation.},
doi = {10.1103/PHYSREVE.77.026402},
url = {https://www.osti.gov/biblio/21101945}, journal = {Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics (Print)},
issn = {1539-3755},
number = 2,
volume = 77,
place = {United States},
year = {Fri Feb 15 00:00:00 EST 2008},
month = {Fri Feb 15 00:00:00 EST 2008}
}