中文摘要：

采用分子动力学方法结合量子修正Sutton-Chen型多体力场,对[110]Au纳米线在升温过程中的结构与热稳定性进行了研究,并引入Lindemann指数和最小半径来研究它的熔化机理和形状演化.结果表明：纳米线在预熔之前,局部区域发生了由fcc到hcp的结构转变.纳米线的预熔首先出现表面上,然后向内部传播,最后才完全熔化为液态结构.纳米线在完全熔化后才开始出现径缩,并最终断裂成为球形纳米团簇.

英文摘要：

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.