采用分子动力学方法对包含147,309和561个原子数的液态纳米铜团簇凝结过程进行模拟研究,结果表明降温速率及团簇原子数对凝结得到常温下的固态团簇结构有重要影响在模拟时间内,降温速度越慢,团簇原子数越少,凝结得到铜团簇越倾向生成二十面体结构,反之则倾向生成面心立方结构.同时探讨了该现象的物理机理. Molecular dynamics simulation was used to simulate the condensation process of liquid copper nanoclusters containing 147,309 and 561 atoms. The results show that the cooling rate and the number of clusters have an important effect on the solid cluster structure at room temperature. During the simulation time , The slower the cooling rate is, the smaller the number of clusters is, the more the copper clusters condense to generate icosahedral structure, otherwise the tendency is to generate a face-centered cubic structure, and the physical mechanism of the phenomenon is also discussed.