Ionic and electronic transport properties in dense plasmas by orbital-free density functional theory
Abstract
We validate the application of our recent orbital-free density functional theory (DFT) approach, [Phys. Rev. Lett. 113, 155006 (2014)], for the calculation of ionic and electronic transport properties of dense plasmas. To this end, we calculate the self-diffusion coefficient, the viscosity coefficient, the electrical and thermal conductivities, and the reflectivity coefficient of hydrogen and aluminum plasmas. Very good agreement is found with orbital-based Kohn-Sham DFT calculations at lower temperatures. Because the method does not scale with temperature, we can produce results at much higher temperatures than is accessible by the Kohn-Sham method. Our results for warm dense aluminum at solid density are inconsistent with the recent experimental results reported by Sperling et al. [Phys. Rev. Lett. 115, 115001 (2015)].
Keywords
Cite
@article{arxiv.1510.00647,
title = {Ionic and electronic transport properties in dense plasmas by orbital-free density functional theory},
author = {Travis Sjostrom and Jérôme Daligault},
journal= {arXiv preprint arXiv:1510.00647},
year = {2015}
}