Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1772285 | High Energy Density Physics | 2016 | 10 Pages |
Abstract
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.
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Authors
D.J. Burrill, D.V. Feinblum, M.R.J. Charest, C.E. Starrett,