Molecular Dynamics Study of Dynamic Criteria of a Nanoalloy ina Melting Process

The operations of melting of Au15Ag40 nanoalloy have been studied using the molecular dynamicsimulations using the Gupta multiparticle potential and the nonergodicity of simulations is removed by the multiplehistogram method. The melting characteristics are determined by the analysis of variations in the potential energy. Thedynamic criteria (VACF and power spectrum curves) show that the similarity in the behavior of the atoms increases asthe temperature increases.

کلیدواژه ها:

Molecular dynamic simulation ، Au15Ag40 nanoalloy ، Gupta multiparticle potential ، Dynamic criteria