Molecular-dynamics simulation of the structural stability,energetics, and melting of Cu n(n = 13–135) clusters |
| |
Authors: | Cem Özdoğan Şakir Erkoç |
| |
Affiliation: | 18. Department of Physics, K?r?kkale University, TR-71450, Yah?ihan, K?r?kkale, Turkey 28. Department of Physics, Middle East Technical University, TR-06531, Ankara, Turkey
|
| |
Abstract: | Cluster properties of copper have been investigated using the Molecular-Dynamics md technique. The structural stability and energetics of spherical Cun (n = 13–135) clusters have been investigated at temperatures T = 1 K and T = 300 K. It has been found that the average interaction energy per atom in the cluster decreases and reaches an asymptotic value as cluster size increases. The melting behaviour of clusters n = 13 and n = 55 have been investigated. It has been found that the melting temperature decreases as cluster size increases, and for clusters with multishell structures melting starts from the outermost shell. In the simulation an emprical potential energy function (PEF) proposed by Erkoç has been used, which contains two-body atomic interactions. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|