Molecular Dynamic Simulation of the Liquid and Amorphous Solid Phase in Al and Fe Mono-Atomic Systems

摘要

A molecular dynamics simulation has been performed to studied the structure of Al and Fe at different temperatures in a frame of a microcanonical ensemble. The interaction among atoms has been modelled with the embedded atom method. The short range order has been study using the radial distribution function, the bond angle distribution function and the Honeycutt-Andersen indexing method was used for analyse the cluster type formed. Different kinds of clusters were found, although it was observed that icosahedral or quasi-icosahedral clusters increase as the temperature decreases.