Molecular dynamics study of thermal hysteresis during melting-crystallization of noble metals

Abstract

By constructing the thermal hysteresis of the enthalpy and density of the noble metals of gold (Au) and copper (Cu), non-equilibrium processes are investigated during the melting – crystallization phase transformations, i.e. during the solid–liquid transition. Thermal hysteresis is obtained from the atomistic modeling. The limiting temperatures of superheating of the solid phase during melting and undercooling of the liquid phase during crystallization of gold and copper are obtained. The possibility of the formation of highly superheated-undercooled metastable states of solid and liquid phases with rapid heating-cooling of the studied metals has been confirmed. The results obtained are compared with the results of alternative calculations.