Testing thermal conductivity models with equilibrium molecular dynamics simulations of the one-component plasma.

Abstract

Equilibrium molecular dynamics simulations are used to calculate the thermal conductivity of the one-component plasma via the Green-Kubo formalism over a broad range of Coulomb coupling strength, 0.1≤Γ≤180. These simulations address previous discrepancies between computations using equilibrium versus nonequilibrium methods. Analysis of heat flux autocorrelation functions show that very long (6×10^{5}ω_{p}^{-1}) time series are needed to reduce the noise level to allow ≲2% accuracy. The simulations provide accurate data for Γ≲1. This enables a test of the traditional Landau-Spitzer theory, which is found to agree with the simulations for Γ≲0.3. It also enables tests of theories to address moderate and strong Coulomb coupling. Two are found to provide accurate extensions to the moderate coupling regime of Γ≲10, but none are accurate in the Γ≳10 regime where potential energy transport and coupling between mass flow and stress dominate thermal conduction.