Nano-crystal melting calculation for Al, Cu and Ag considering macro-crystal surface melting

Abstract

The surface melting of macro-crystals and melting of nano-crystals for Al, Cu and Ag pure components are modeled in comparison with literature data. The relevant temperatures of surface premelting and melting are calculated. The corresponding temperature-dependent equilibrium thickness of the liquid melted layer is obtained as well, which tends to infinity when the temperature is at the bulk melting point. Furthermore, the size-dependent melting behaviors for Al, Cu and Ag are investigated and the corresponding critical size is determined using a home-made code. The melting point depression with particle size is also demonstrated in the present work. As illustrated in the size-dependent phase diagram, the temperatures of both the solidus and liquidus decrease and they merge with the decrease in the radius.