Molecular Dynamics Simulations of the Variation of Structure and Energy in the Solidification of Liquid Au

Bymeans of molecular dynamics simulation technique,the solidification processes of Au under different cooling velocity has been studied.It has been concluded that the cooling velocity is critical to the structure of Au.With pair distribution function and pairsanalysis method,the local symmetry of molecular-cluster has been analyzed.The variations of potential energy with the temperature and the relationship between the energy and the structure of molecular-cluster have also been studied.From the eye of the variation of energy,the conclusion has been discussed.