Abstract: By means of molecular dynamics simulation technique, the solidification process of Ni under different cooling rates has been studied. The variation of potential energy with temperature and the relationship between the energy and the structure of molecular-cluster have also been studied. With pair distribution function and pairs analysis method, the local symmetry of molecular-cluster has been analyzed. From the view of pair’s analysis, the conclusion has been discussed.

Key words: Icosahedral quasicrystal, Molecular dynamics simulations, EAM (embeded atom method) potential