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采用表面嵌入势，用静态计算和分子动力学方法研究了Ａｇ，Ｐｔ，Ａｕ单个吸附原子在（１１０）表面上的自扩散现象．分别给出了跳跃机制和交换机制所对应的能量变化曲线及相关原子的运动轨迹，分析了这三种不同金属（１１０）表面上的自扩散特点，结果与分子动力学模拟及有关的实验结果相符合．
Adopting surface embedding potential, self-diffusion of single adsorbed Ag, Pt and Au atoms on (110) surface was studied by static calculation and molecular dynamics method. The energy curves and related trajectories of the atoms corresponding to the jumping mechanism and the exchange mechanism are given respectively. The self-diffusion characteristics of the three different metal (110) surfaces are analyzed. The results are compared with the molecular dynamics simulations and the related experimental results Match.