| AgBr团簇熔化行为的研究 |
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| 引用本文： | 李向富,田春山. AgBr团簇熔化行为的研究[J]. 青海大学学报, 2008, 26(2): 59-62 |
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| 作者姓名： | 李向富 田春山 |
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| 作者单位： | 西北师范大学物理与电子工程学院,甘肃,兰州,730070;西北师范大学物理与电子工程学院,甘肃,兰州,730070;青海大学基础部,青海,西宁,810016 |
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| 摘 要： | 用恒温分子动力学方法研究了（AgBr）n（n=9，12，16）团簇的熔化行为。结果表明：在低温区，团簇中原子间的相对位置变化很小；在中温区，原子开始扩散和重排，结构发生扭曲及部分价键断裂，但仍保持着基态结构总体构型不变；在熔点，团簇结构发生了根本性转变，结构变得很破碎。
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| 关 键 词： | AgBr团簇 遗传算法 分子动力学 熔化 |
| 文章编号： | 1006-8996(2008)02-0059-04 |
| 修稿时间： | 2008-03-04 |
Study on melting behavior of AgBr clusters |
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| LI Xiang-fu,TIAN Chun-shan. Study on melting behavior of AgBr clusters[J]. Journal of Qinghai University(Natural Science), 2008, 26(2): 59-62 |
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| Authors: | LI Xiang-fu TIAN Chun-shan |
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| Affiliation: | LI Xiang-fu,TIANChun-shan(1. College of Physics and Electronic Engineering,Northwest Normal University, Lanzhou 730070, China; 2. Department of Basic Research, Qinghai University, Xining 810016, China) |
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| Abstract: | The melting behavior of （AgBr）n （n = 9, 12, 16） clusters is studied in this paper using the method of constant temperature molecular dynamics and the result shows that the distance between ions changes a little at low temperature area. But at middle temperature area, ions begin to diffuse and rearrange, structure distorted and some chemical bonds rup ured, but the general formation of basic structure is not changed. At the melting point, cluster structure changed essentially and became fragmentary. |
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| Keywords: | AgBr cluster genetic algorithm molecular dynamics melting |
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