How to quantify solid–liquid phase transition: Lennard?Jones system case study

摘要

In this paper we analyzed different measures, characterizing the melting of Lennard–Jones solid, and associated with the properties of both the translational and the orientational local order. It has been shown that the most sensitive indicator of melting is the cumulant of the probability distribution function over w_6 bondorder parameter. The criterion of melting based on the indicator is proposed; the criterion can be used for any solids, having fcc/hcp types of symmetry.