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摘要
The melting and crystallization with two different cooling rates of large sized Cu-N (N = 1956, 2112, 2208, and 2340) nanoclusters are simulated by using molecular dynamics technique with the framework of embedded atom method. The potential energy as a function of temperatures is obtained and the structural details are analyzed. The results reveal that the melting and freezing temperatures increase almost linearly with the atom number of the clusters slowly. All the copper nanoclusters have negative heat capacity around the phase transition temperature, and the clusters with slow cooling rates have icosahedral structure at 300 K.
- 出版日期2016
- 单位重庆师范大学
