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

Burrill, D. J.; Feinblum, D. V.; Charest, M. R. J.; Starrett, C. E.

doi:10.1016/j.hedp.2016.01.004

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

Journal Article · Wed Feb 10 00:00:00 EST 2016 · High Energy Density Physics

DOI:https://doi.org/10.1016/j.hedp.2016.01.004· OSTI ID:1247672

Burrill, D. J. ^[1]; Feinblum, D. V. ^[2]; Charest, M. R. J. ^[1]; Starrett, C. E. ^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of California, Irvine, CA (United States)

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. As a result, 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.

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Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-06NA25396; 20150656ECR

OSTI ID:: 1247672

Alternate ID(s):: OSTI ID: 1357283

Report Number(s):: LA-UR-15-26583; PII: S1574181816300015

Journal Information:: High Energy Density Physics, Vol. 19, Issue C; ISSN 1574-1818

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 18 works

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