用遗传算法研究Co<sub>n</sub>(n=3-60)团簇的结构特性

张蓓; 段海明; 张军

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用遗传算法研究Co_n(n=3-60)团簇的结构特性

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- 用遗传算法研究Co_n(n=3-60)团簇的结构特性
- Journal of Xinjiang University (Natural Science Edition in Chinese and English) Issue 2, (2006)
- 作者机构：
  
  新疆大学物理系,新疆大学物理系,新疆大学物理系新疆乌鲁木齐830046,新疆乌鲁木齐830046,新疆,乌鲁木齐,830046
- 作者简介：
- 基金信息：
- DOI：
  CLC： O561
- Published：2006
- 稿件说明：
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[1]张蓓,段海明,张军.用遗传算法研究Co_n(n=3-60)团簇的结构特性[J].新疆大学学报(自然科学版),2006(02):141-147+155.

张蓓, 段海明, 张军. 用遗传算法研究Co_n(n=3-60)团簇的结构特性[J]. Journal of Xinjiang University (Natural Science Edition in Chinese and English), 2006, (2).
[1]张蓓,段海明,张军.用遗传算法研究Co_n(n=3-60)团簇的结构特性[J].新疆大学学报(自然科学版),2006(02):141-147+155. DOI：

张蓓, 段海明, 张军. 用遗传算法研究Co_n(n=3-60)团簇的结构特性[J]. Journal of Xinjiang University (Natural Science Edition in Chinese and English), 2006, (2). DOI：

摘要

我们采用半经验的Gupta多体势结合遗传算法

系统地研究了Con(n=3-60)团簇的几何结构特性.我们发现在钴团簇的生长中存在一个类fcc构型与类Ih构型之间的竞争

从n=39开始

钴团簇呈现出明显的Ih生长模式.Con(n=3-60)团簇的幻数为13

结合钴团簇的平均最近邻原子间距和平均配位数

分析了钴团簇幻数序列存在的原因.我们发现团簇内部原子具有增强团簇对称性和加强团簇稳定性的显著作用.

Abstract

The lowest-energy geometric structures of cobalt clusters were obtained by using a semi-empirical Gupta potential combined with a global evolutive algorithm. Under this potential the most stable clusters were generated up to Co-{60}. We found there exists structural competition between the icosahedron-like and the fcc-like. For the cases n≥39

the icosahedral growth model presents obviously. 13

55 are the magic numbers of the cobalt clusters. By analyzing the average coordination number and the average nearest-neighbor distance of these clusters

we studied their magic structures. It is noticeable that the inner atoms could enhance both symmetry and stability of the clusters.

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用遗传算法研究Con(n=3-60)团簇的结构特性

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摘要

Abstract

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用遗传算法研究Co_n(n=3-60)团簇的结构特性