Simulation study on evolution properties of crystal-growth and microstructure of cluster during solidification processes of liquid metal Cu

A tracing simulation study has been performed on the rule of crystal-growth and transition properties of microstructrue of nano-clusters during solidification process of liquid metal Cu using the molecular dynamics method and Quantum Sutton-Chen many body potential.The bond-type index method of Honeycutt-Andersen(HA)and a new cluster-type index method(CTIM-2) have been used to analyse the bond-type of metal Cu atoms and evolution properties of atomic cluster configuration.It is found that the crystal and amorphous mixed coexistence structures are formed finally in the system when the cooling rate is 1.0×10~(13) K/s.At the cooling rate of 4.0×10~(12) K/s,crystal structure begins to be formed at 673K in the system,and the crystal structures mainly with the 1421 and 1422 bond-types are formed. Fcc and hcp play a very important role in forming crystal copper.Espeically,fcc(12 0 0 0 12 0) basic cluster consisting of 1421 bond-type occupied a dominant position in crystal-growth and the forming processes of nano-cluster structures.