Melting and Crystallization in Gold Nanoclusters

The melting and crystallization with two different cooling rates of Au N (N = 140, 360, 532, 784, and 952) 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 clusters. All the gold nanoclusters have negative heat capacity around the phase transition temperature, and the clusters with slow cooling rate have icosahedral structure at 300 K.