Thermal conductivity of solid argon at high pressure and high temperature: a molecular dynamics study

Konstantin V Tretiakov; Sandro Scandolo

doi:10.1063/1.1812754

Thermal conductivity of solid argon at high pressure and high temperature: a molecular dynamics study

J Chem Phys. 2004 Dec 8;121(22):11177-82. doi: 10.1063/1.1812754.

Authors

Konstantin V Tretiakov¹, Sandro Scandolo

Affiliation

¹ The Abdus Salam International Centre for Theoretical Physics (ICTP), Strada Costiera 11, I-34100 Trieste, Italy.

PMID: 15634072
DOI: 10.1063/1.1812754

Abstract

The thermal conductivity of solid argon at high-pressure (up to 50 GPa) and high-temperature (up to 2000 K) has been calculated by equilibrium molecular dynamics simulations using the Green-Kubo formalism and an exponential-6 interatomic potential. A simple empirical expression is given for its pressure and temperature dependence. The results are compared with predictions based on kinetic theory. The relative change of the thermal conductivity lambda with density rho is found to be consistent with a partial differential ln lambda/ partial differential ln rho slope of approximately 6 in a wide range of pressures and temperatures, in good agreement with predictions based on kinetic theory.