An atomistic simulation of structure and thermal stability of [110] Au nanowire during continuous heating

作者：Tian Hui Chen; Liu Li; Wen Yu Hua^*

来源：Acta Physica Sinica, 2010, 59(3): 1952-1957.

• nanowire
• melting
• molecular dynamics

We have used molecular dynamics method with quantum corrected Sutton-Chen type many-body potentials to study the structure and thermal stability of [110] Au nanowires, and investigate its melting mechanism and shape evolution by introducing the Lindemann index and the minimum radius. The results show that the transformation from fcc to hcp structure occurs in local regions of nanowire before premelting. The melting starts from surface and evolves into interior region, resulting in the overall melting of the nanowire. Subsequently, the neck occurs and induces the final breaking of nanowire into a spherical cluster.

• 出版日期2010-3
• 单位呼伦贝尔学院; 厦门大学