The competition of densification and structure ordering during crystallization of HCP-Mg in the framework of layering
J Luo and YW Jiang and RG Yu and YQ Wu, CHEMICAL PHYSICS LETTERS, 678, 203-211 (2017).
In this paper, we performed an NPT molecular dynamics simulation of crystallization process of HCP-Mg to probe the competition between densification and structural ordering. Two opposite layering patterns, i.e. outward and inward, were designed for analysis. From the perspective of solid-like cluster (SLC) itself, structural ordering always precedes densification; but from the perspective of SLC's precursor, structural ordering always lags behind densification; the reversion occurs at the closest two liquid layers around SLC. We call it dip-rebound phenomenon. This phenomenon is a completely new finding. It resolves, to some extent, recent debate about whether densification or structural ordering triggers crystallization. (C) 2017 Elsevier B.V. All rights reserved.
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