Study on the thermodynamic properties of Cu_N nanoclusters by molecular dynamics simulation

The thermodynamic properties of Cu_N(N=80,140, 216,312,408,500,628 and 736) nanoclusters during melting and freezing processes have been studied by molecular dynamics simulation technique within the framework of EAM.The results indicates that the melting and freezing points of Cu_N nanoclusters increase linearly with size,and approach to bulk crystal's gradually.For the same cluster,the freezing point is lower than its melting point.Hysteresis in the melting/freezing transition is observed.All the nanoclusters have negative heat capacity around the melting and freezing points,which is generated by the abrupt structure jump.