Comparison of transport models in dense plasmas
Zachary A. Johnson, Luciano G. Silvestri, G. M. Petrov, Liam Stanton, Michael S. Murillo
Abstract
We compare a variety of models used for the calculation of transport coefficients in dense plasmas, including average-atom models, models based on kinetic theory, structure matching effective potentials, and pair-potential molecular dynamics. In particular, we focus on the parameter space investigated in the second charged-particle transport coefficient code comparison workshop [Stanek et al., Phys. Plasmas 31, 052104 (2024)]. Each model is based on the self-consistent output of our average-atom calculations. Ionic transport properties are generated from implicit electron pair matched molecular dynamics simulations, bypassing the need for either dynamical electron simulations or on-the-fly electronic structure calculations. These matched pair potentials are generated in a nonlinear way using a classical mapping procedure, further avoiding an expensive force-matching procedure. We compare these results with the density functional theory data presented at the workshop, as well as a set of widely used parametric models, which we have modified to enhance accuracy, especially at the low- and high-temperature extremes of the parameter space. We also detail the non-trivial statistical aspect of converging ionic transport coefficients.