Transport Coefficients of Warm Dense Matter from Kohn-Sham Density Functional Theory

Ionic and electronic transport coefficients are fundamentally important to the understanding of the warm dense matter (WDM) regime. These coefficients are consumed by hydrodynamic codes which are used to both design and interpret experiments on high energy density facilities such as the Z-machine, the NIF, and Omega. Experiments in these regimes are exceptionally difficult and often provide limited constraints on models, while theoretical methods originate from either the plasma or condensed matter communities. The WDM regime exists at the coalescence of the two communities and resides at the limits of applicability for some methods. To quantify the uncertainties and capabilities of current theory, the “2^nd charged-particle transport coefficient comparison workshop (TCCW2)” brought together multiple methods from different fields to study transport properties in the WDM regime. We present a comprehensive study of self-diffusion, DC electrical conductivity, electrical thermal conductivity, and shear viscosity via ab-initio molecular dynamics and density functional theory for our contribution to the TCCW2. In addition, special care is taken to highlight the sensitivities of statistical estimates and convergence of transport coefficients to rarely discussed aspects of the data analysis.

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