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. The structure and thermal stability of [110] Au nanowires during the heating process were investigated by molecular dynamics simulations combined with the Sutton-Chen model. The Lindemann index and the minimum radius were used to study the melting mechanism And shape evolution.The results show that the local transformation from fcc to hcp takes place before the pre-melting of the nanowires.The pre-melting of the nanowires firstly appears on the surface and then propagates to the interior, and finally it completely melts into a liquid structure. The line begins to shrink after it has completely melted and eventually breaks into spherical nanoclusters.