Document Detail

Direct verification of mixing rules in the hot and dense regime.
MedLine Citation:
PMID:  18352128     Owner:  NLM     Status:  PubMed-not-MEDLINE    
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.
F Lambert; J Clérouin; J-F Danel; L Kazandjian; G Zérah
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Publication Detail:
Type:  Journal Article     Date:  2008-02-04
Journal Detail:
Title:  Physical review. E, Statistical, nonlinear, and soft matter physics     Volume:  77     ISSN:  1539-3755     ISO Abbreviation:  Phys Rev E Stat Nonlin Soft Matter Phys     Publication Date:  2008 Feb 
Date Detail:
Created Date:  2008-03-20     Completed Date:  2008-04-30     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101136452     Medline TA:  Phys Rev E Stat Nonlin Soft Matter Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  026402     Citation Subset:  -    
Commissariat à l'Energie Atomique, Centre DAM Ile-de-France, Bruyères-le-Châtel, 91297 Arpajon Cedex, France.
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