SOLID-LIKE CLUSTERS IN SUPERCOOLED LIQUID Fe: A STUDY OF MOLECULAR DYNAMICS SIMULATION

摘要

We investigate solid-like clusters in supercooled liquid Fe by molecular dynamics (MD) simulations. Average bond orientational order (ABOO) parameters and Voronoi polyhedron (VP) method were used to identify the local structure and local volume of each atom. We analyzed the size distributions, local environment and bond-length of solid-like clusters. There is a linear relation between the logarithm of number of incipient solid-like clusters (ISLC) and their sizes. Moreover, we tracked the born, growth and coalescence processes of these clusters and discuss their behaviors in detail.