| 钛团簇的融化行为 |
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| 引用本文： | 王晓秋.钛团簇的融化行为[J].淮阴师范学院学报(自然科学版),2006,5(4):282-286. |
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| 作者姓名： | 王晓秋 |
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| 作者单位： | 淮阴师范学院,物理与电子学系,江苏,淮安,223001 |
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| 摘 要： | 采用经验分子动力学方法研究了几个典型Ti团簇的热力学稳定性和融化行为.Ti团簇的融化行为清楚地依赖于体系的结构和尺寸.对于较小的团簇,融化曲线没有出现清楚的一级相变特征,意味着由于尺寸效应导致的固态液态共存.对于较大尺寸的团簇,观察到其融化过程伴随着表面融化、局部融化、结构共存和相变行为.
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| 关 键 词： | Ti团簇 分子动力学 融化行为 |
| 文章编号： | 1671-6876（2006）04-0282-05 |
| 收稿时间： | 2006-07-22 |
| 修稿时间： | 2006年7月22日 |
Melting Behavior of Titanium Clusters |
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| WANG Xiao-qiu.Melting Behavior of Titanium Clusters[J].Journal of Huaiyin Teachers College(Natrual Science Edition),2006,5(4):282-286. |
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| Authors: | WANG Xiao-qiu |
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| Abstract: | The thermal stability and melting behavior of some representative titanium clusters are studied by using empirical molecular-dynamic simulation.The melting temperatures of titanium clusters show clear dependence on sizes and structures.For smaller clusters,there is no clear characteristic of first-order phase transition during the melting,implying a coexistence of solid and liquid phases due to finite-size effect.Structural transformation,local melting,and coexistence are observed in the melting process of larger clusters. |
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| Keywords: | titanium clusters molecular-dynamic simulation melting behavior |
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