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| Irn(n=2-25)团簇基态结构的遗传算法研究 | |
| 引用本文： | 张材荣,许广济,寇生中,陈宏善. Irn(n=2-25)团簇基态结构的遗传算法研究[J]. 原子与分子物理学报, 2006, 23(1): 122-126 |
| 作者姓名： | 张材荣 许广济 寇生中 陈宏善 |
| 作者单位： | 1. 兰州理工大学理学院,兰州,730050;兰州理工大学有色金属新材料国家重点实验室,兰州,730050 2. 兰州理工大学有色金属新材料国家重点实验室,兰州,730050 3. 西北师范大学物理与电子工程学院,兰州,730070 |
| 基金项目： | 国家自然科学基金(50371016)，兰州理工大学科研发展基金 |
| 摘 要： | 用遗传算法结合Gupta紧束缚模型势研究了Irn(n=2-25)团簇的基态结构.分析了Irn(n=2-25)团簇的基态结构随团簇尺寸的变化规律.计算结果表明,Irn(n=2-25)团簇的每个原子的平均束缚能和平均第一近邻随团簇尺寸的增加而增大,以总束缚能的二阶差分为判据,Irn(n=2-25)团簇的幻数是4、7、9、13、15、19、23. |
| 关 键 词： | Irn(n=2-25)团簇 遗传算法 Gupta势 |
| 文章编号： | 1000-0364（2006）01-0122-05 |
| 收稿时间： | 2004-12-20 |
| 修稿时间： | 2004-12-20 |
Ground-states structures of Irn (n= 2-25) clusters studied by genetic algorithm |
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| ZHANG Cai-rong,XU Guang-ji,KOU Sheng-zhong,CHEN Hong-shan. Ground-states structures of Irn (n= 2-25) clusters studied by genetic algorithm[J]. Journal of Atomic and Molecular Physics, 2006, 23(1): 122-126 | |
| Authors: | ZHANG Cai-rong XU Guang-ji KOU Sheng-zhong CHEN Hong-shan |
| Affiliation: | 1. School of Science, Lanzbou University of Technology, Lanzbou 730050, P. R. China; 2. State Key Laboratory of Norderrous Metal Materials, Lanzhou University of Technology, Lanzbou 730050 ,P. R. China; 3. College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070,P. R. China |
| Abstract: | The structures and stabilities of the ground-states for Ir_n(n=2-25) clusters were studied by using a genetic algorithm which combined with Gupta model potential. The growth mechanism with the size of cluster is analyzed.The calculated results show that the average binding energy and the average distance of the closest neighbor of the Ir_n(n=2-25) clusters is increase with the cluster size.According to the second difference of total binding energy,the magic number of the Ir_n(n=2-25) clusters are 4,7,9,13,15,19,23. |
| Keywords: | Ir_n(n=2-25) cluster genetic algorithm gupta potential |
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