Thermal conductivity of argon: Modeling and comparison with experimental data

Abstract

Abstract. The thermal conductivity of argon in solid state phase is modeled by studying the physics property of atom vibrations given by different potentials in crystalline networks at temperature less than 80 [K], in the canonical ensemble where volume, mass and temperature are held constant. Mfolecular dynamics simulations are carried out taking into account the Verlet algorithm and the Green-Kubo formalism. We consider some interatomic interactions as Lennard-Jones, Mie and Kihara potential to obtain results that we compare to experimental data. We show that the present modeling based on the Kihara potential is the best, showing a precision (8.8%), which is not found in recent literature.