(C_(60))_N团簇稳定结构的遗传算法研究  

Genetic algorithm study on the stable structures of (C_(60))_N slusters

作　　者：汪志刚[1] 陈耀桦[2] 文玉华[2] 朱梓忠[2] 

机构地区：[1]乐山师范学院物理系,乐山614004 [2]厦门大学物理系,厦门361005

出　　处：《原子与分子物理学报》2006年第5期861-866,共6页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(10374076);福建省自然科学基金(E0320001;Z0513004)

摘　　要：采用Pacheco-Ramalho相互作用势,结合改进的遗传算法研究了(C60)N团簇(N=3～25)的稳定结构与'幻数'序列,并研究了(C60)N 团簇的势能变化.结果表明:团簇的稳定结构与构成团簇的C60分子数目有密切的关系.随着C60分子数目的增大,团簇的稳态结构呈现出由层状变为壳状,然后又转变为层状结构的变化趋势.随着组成C60分子数的增多,团簇中分子的平均势能呈下降的趋势,下降的幅度随着分子数的增大而越来越小.By using Pacheco-Ramalho inter-molecular potential together with the improved genetic algorithm,the stable structures,the 'magic numbers' as well as the potential energies of the(C_(60))_N clusters(N=3 up to 25) have been studied.The present results show that the stable structures of the(C_(60))_N clusters are very sensitive to the number of C_(60) in the clusters.As the number of C_(60) molecules increases,the stable structure of the cluster displays a tendency forming from tier structure to shell structure,and then back to tier structure,and the averaged potential energy of C_(60) decreases gradually.

关 键 词：稳定结构 团簇 遗传算法 

分 类 号：O469[理学—凝聚态物理] O552.5[理学—电子物理学]