Shape Dependence of the Premelting of Nanowire: A Molecular Dynamics Study

Abstract

Molecular dynamics (MD) and modified analytical embedded atom method (MAEAM) are used to study the effect of the cross-sectional shape on the nanowire (NW) premelting. The results indicate that the premelting phenomenon occurs far below the melting point. The temperature dependence of mean square displacement (MSD) shows that the shape effect on the premelting phenomenon is obvious. Based on the detailed analysis of the atomic configuration, the premelting activation energy (PAE), and the shape factor, we have further found that the cross-sectional shape has an important effect on the premelting mechanism of the NW.