Modeling the surface energy, cohesive energy, and surface excess entropy of liquid metals

Abstract

In this work, we report a simple method to calculate the liquid-vapor interface energy γlv, surface entropy Sv, and cohesive energy El of liquid metals. The predictions agree with the available theoretical and experimental results. Moreover, the temperature-dependent functions γlv(T), Sv(T), and El(T) are also predicted. We found that following the increase of T, both γlv(T), Sv(T), and El(T) present a dropping tendency. In addition, we found that γlv(T) is not a strictly linear function due to the temperature dependence of Sv(T).