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.

作者: Zhi-min Wu Chun-yang Kong Peng Yu

作者单位: Key Laboratory of Optical Engineering, College of Physics and Electronic Engineering, Chonqing Normal University,Chongqing 400047, China

会议类型: 国际会议

会议名称: The First International Conference on Manipulation,Manufacturing and Measurement on the Nanoscale(第一届3M-NANO国际会议)

会议地点: 长春

会议语种:英文

页码: 1-4

在线出版日期: 2011-08-29（万方平台首次上网日期，不代表论文的发表时间）