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Title: 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 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.
Authors:
 [1] ;  [2] ;  [1] ;  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of California, Irvine, CA (United States)
Publication Date:
OSTI Identifier:
1247672
Report Number(s):
LA-UR--15-26583
Journal ID: ISSN 1574-1818; PII: S1574181816300015
Grant/Contract Number:
AC52-06NA25396
Type:
Accepted Manuscript
Journal Name:
High Energy Density Physics
Additional Journal Information:
Journal Volume: 19; Journal Issue: C; Journal ID: ISSN 1574-1818
Publisher:
Elsevier
Research Org:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
70 PLASMA PHYSICS AND FUSION TECHNOLOGY electron conductivity; warm dense matter; average atom model; Ziman formula