Thermal conductivity of solid argon from molecular dynamics simulations

• DOI: 10.1063/1.1642611
• Publication Date: 2004-02-18T23:10:08Z
• Authors: Konstantin V. Tre...; Sandro Scandolo
• Keywords: Dynamics

The thermal conductivity of solid argon in the classical limit has been calculated by equilibrium molecular dynamic simulations using Green-Kubo formalism and a Lennard-Jones interatomic potential. Contrary to previous theoretical reports, we find that computed conductivities are good agreement with experimental data. values also high-temperature three-phonon scattering contribution conductivity. We finite-size effects negligible phonon lifetimes have two characteristic time scales, so kinetic theory is obtained only after appropriate averaging lifetimes.