Electron transport calculations in warm dense matter using scattering cross sections
Plasma Physics
2015-09-15 v1
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 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 KSDFT-MD results, but at a fraction of the computational cost.
Cite
@article{arxiv.1509.04194,
title = {Electron transport calculations in warm dense matter using scattering cross sections},
author = {D. J. Burrill and D. Feinblum and M. R. J. Charest and C. E. Starrett},
journal= {arXiv preprint arXiv:1509.04194},
year = {2015}
}