Melting and Crystallization in Large Sized Copper Cluster

摘要

The melting and crystallization with two different cooling rates of large sized CuN (N=1956, 2112, 2208, and 2340) nanoclusters are simulated by using molecular dynamics technique with the frame work of embedded atom method. The potential energy as a function of temperature is obtained and the structural details are analyzed. The results reveal that the melting and freezing temperature increases almost linearly with the atom number of the cluster slowly. All the copper nanoclusters have negative heat capacity around the phase transition temperature, and the clusters with slow cooling rate have icosahedral structure at 300 K.