Equation of state of a dense boron plasma by Thomas–Fermi–Dirac–Weizsäcker molecular dynamics

Autor:	L. Kazandjian, J.-F. Danel, G. Zérah
Rok vydání:	2008
Předmět:	Pseudopotential Physics Equation of state symbols.namesake Molecular dynamics Internal energy symbols Fermi–Dirac statistics Plasma Electron Atomic physics Condensed Matter Physics Thomas–Fermi model
Zdroj:	Physics of Plasmas. 15:072704
ISSN:	1089-7674 1070-664X
DOI:	10.1063/1.2956646
Popis:	Simulations consistently combining classical molecular dynamics applied to nuclei and Thomas–Fermi–Dirac–Weizsacker theory applied to electrons are used to calculate both pressure and internal energy of a boron plasma along the isotherms T=1 and 4eV. A regularized pseudopotential must be used to represent the electron-nucleus interaction; a correction of the internal energy computed allowing for the use of this pseudopotential is proposed. Comparison with results obtained by quantum molecular dynamics shows that including the gradient correction of order 1 in the gradient expansion of the electronic free energy allows to increase the domain of validity of simulations by about 30g∕cm3 toward low densities.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::e0eee18950f51f2cd37f491038f2baed https://doi.org/10.1063/1.2956646 Zobrazit plný text záznamu