遗传算法研究Pd<sub>n</sub>(n=2-57)团簇的结构特性

尹红梅; 段海明

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遗传算法研究Pd_n(n=2-57)团簇的结构特性

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- 遗传算法研究Pd_n(n=2-57)团簇的结构特性
- Journal of Xinjiang University (Natural Science Edition in Chinese and English) Vol. 108, Issue 4, Pages: 418-424(2007)
- 作者机构：
  
  新疆大学物理科学与技术学院,新疆大学物理科学与技术学院新疆乌鲁木齐830046,新疆,乌鲁木齐,830046
- 作者简介：
- 基金信息：
- DOI：
  CLC： O561.1
- Published：2007
- 稿件说明：
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[1]尹红梅,段海明.遗传算法研究Pd_n(n=2-57)团簇的结构特性[J].新疆大学学报(自然科学版),2007,No.108(04):418-424.

尹红梅, 段海明. 遗传算法研究Pd_n(n=2-57)团簇的结构特性[J]. Journal of Xinjiang University (Natural Science Edition in Chinese and English), 2007, 108(4): 418-424.
[1]尹红梅,段海明.遗传算法研究Pd_n(n=2-57)团簇的结构特性[J].新疆大学学报(自然科学版),2007,No.108(04):418-424. DOI：

尹红梅, 段海明. 遗传算法研究Pd_n(n=2-57)团簇的结构特性[J]. Journal of Xinjiang University (Natural Science Edition in Chinese and English), 2007, 108(4): 418-424. DOI：

摘要

本文利用遗传算法结合紧束缚势计算了Pdn(n=2-57)团簇的基态能量及结构.通过讨论团簇的平均束缚能Eb、二阶差分能Δ2E(n)和剩余能ΔE(n)

发现团簇平均束缚能随原子数目的增加而增大

n为13、22、30、38、41、46和55为其幻数序列.并发现

Pd54为无中心原子的Ih结构

其稳定性略低于Pd55的稳定性.

Abstract

We performed global structural optimizations for Palladium clusters Pdn(n=2-57)using a genetic algorithm(GA) coupled with a Tight-binding potential.The average bind-energy Eb

the second difference of energies Δ2E(n) and the excess energy ΔE(n) were utilized to characterize and analyze the structure of Pdn(n=2-57) clusters.Our results show that the bind-energy of Pdn clusters increases with increasing the cluster size.The magic number geometries of Pd clusters contain 13

46 and 55 atoms.We found that Pd54 is icosahedraon without the central atom

and its stability is little lower than that of the Pd55.

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references

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新疆大学物理科学与技术学院,新疆大学物理科学与技术学院,新疆大学物理科学与技术学院新疆乌鲁木齐830046,新疆乌鲁木齐830046

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遗传算法研究Pdn(n=2-57)团簇的结构特性

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摘要

Abstract

关键词

Keywords

references

遗传算法研究Pd_n(n=2-57)团簇的结构特性