Comparison of electron transport calculations in warm dense matter using the Ziman formula

The Ziman formulation of electrical conductivity is tested in warm and hot dense matter using the pseudo-atom molecular dynamics method. Several implementation options that have been widely used in the literature are systematically tested through a comparison to the accurate, but expensive Kohn–Sham...

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Bibliographic Details
Published in:	High energy density physics Vol. 19; no. C; pp. 1 - 10
Main Authors:	Burrill, D.J., Feinblum, D.V., Charest, M.R.J., Starrett, C.E.
Format:	Journal Article
Language:	English
Published:	United States Elsevier B.V 01-06-2016 Elsevier
Subjects:	70 PLASMA PHYSICS AND FUSION TECHNOLOGY Average atom model Electron conductivity Warm dense matter Ziman formula Electron conductivity Average atom model Ziman formula Warm dense matter
Online Access:	Get full text
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Summary:	The Ziman formulation of electrical conductivity is tested in warm and hot dense matter using the pseudo-atom molecular dynamics method. Several implementation options that have been widely used in the literature are systematically tested through a comparison to the accurate, but expensive Kohn–Sham density functional theory molecular dynamics (KS-DFT-MD) calculations. The comparison is made for several elements and mixtures and for a wide range of temperatures and densities, and reveals a preferred method that generally gives very good agreement with the KS-DFT-MD results, but at a fraction of the computational cost.
Bibliography:	LA-UR-15-26583 AC52-06NA25396; 20150656ECR USDOE
ISSN:	1574-1818 1878-0563
DOI:	10.1016/j.hedp.2016.01.004