Molecular Dynamics Investigation of Differences in Melting Behaviors of Cu57 and Cu58 Clusters
- Received Date: 2008-08-27
Abstract: Within the framework of the embedded-atom method, we performed molecular-dynamics calculations to investigate the structural transformation during melting of two copper clusters containing 57 and 58 atoms. The simulation results reveal how their different structural changes can strongly influence internal energy and radial distribution functions. The local structural patterns of different regions during the temperature increase, determined by atom density profiles, are identified for the melting of each cluster. The simulations show sensitivities of the structural changes for these two small size clusters with di?erent structures.
|Citation:||Lin Zhang , Hai-xia Sun. Molecular Dynamics Investigation of Differences in Melting Behaviors of Cu57 and Cu58 Clusters[J]. Chinese Journal of Chemical Physics , 2009, 22(1): 69-74. doi: 10.1088/1674-0068/22/01/69-74|