Simple scaling laws for the transport coefficients calculated by density-functional theory molecular dynamics

Abstract

Density-functional theory molecular dynamics (DFT-MD) is a first-principles approach suited for and widely applied to the calculation of warm dense plasmas properties at equilibrium. It is shown that under the very general hypotheses underlying this approach, the transport coefficients of pure fluids obey simple scaling laws. The extension of these scaling laws to mixtures is possible under specific conditions. Apart from the practical interest of deducing the DFT-MD transport coefficients of an isotope of a given element from those already calculated for another isotope of the same element, these laws are fundamental constraints to be imposed to the construction of fits or of mixing rules for transport coefficients of warm dense plasmas.