Publication Date
8-1-2024
Document Type
Article
Publication Title
Physics of Plasmas
Volume
31
Issue
8
DOI
10.1063/5.0204226
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.
Funding Number
NSF-2108505
Funding Sponsor
National Science Foundation
Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 License.
Department
Mathematics and Statistics
Recommended Citation
Zachary A. Johnson, Luciano G. Silvestri, George M. Petrov, Liam G. Stanton, and Michael S. Murillo. "Comparison of transport models in dense plasmas" Physics of Plasmas (2024). https://doi.org/10.1063/5.0204226
