中文摘要：

介绍了采用基于模拟退火的粒子群算法（PSO-SA），应用Gupta多体势函数和Sutton-Chen势函数对铝团簇Aln（n≤13）的基态能量进行了计算，并给出其相应的稳定结构．同时研究了铝团簇的半径分布图、平均结合能和能量二阶差分与团簇尺寸变化的关系．结果表明：铝团簇的结构稳定性随团簇原子数孢的增加而增大，并在原子数孢为7，9和11处出现极值，表明其具有“幻数”效应和相对较高的结构稳定性，由半径的分布图得出Al6，Al7，Al13具有高度的对称性．

英文摘要：

The structures and energies of Aln （n≤13） clusters have been investigated by have been investigated using particle swarm optimization （PSO） combined with simulated annealing （SA） method. Some stable structures were obtained for Al clusters. The expression for the total energy of Al clusters with Gupta potential and Sutton-Chen potential has been described. The simulation results show that the structure stability of Alnclusters increases with the increase of total atom number n. From the results of the second difference in the binding energy,the structure while n is 4,7,9 and 11 is more stable than others. The magic numbers effect has also been found. And from the radial distributions A16, Al7, Al13 have high symmetry of geometrical structure.