Melting of Au nanoclusters by molecular dynamics simulation

作者：Zhang YN^*; Wang L; Bian XF

来源：Acta Physico - Chimica Sinica, 2003, 19(1): 35-39.

• molecular dynamics simulation
• Au nanoclusters
• melting process

We present a detailed molecular dynamics study of the melting of Au nanoclusters with up to 8628 atoms within the framework of the embedded atom method(EAM). The simulation indicates that there exists a mesoscale nanocrystal regime in metal nanoclusters. The predicted thermodynamics properties for Au nanoclusters above 456 atoms show a linear dependence on the cluster size, whereas the melting begins from the surface of the clusters with a melting point at T-m(b) - T-m

• 出版日期2003-1
• 单位山东大学