| 有限温度下Na4团簇的异构化 |
| |
| 引用本文： | 王锋,张丰收.有限温度下Na4团簇的异构化[J].原子与分子物理学报,1999,16(1):33-38. |
| |
| 作者姓名： | 王锋 张丰收 |
| |
| 作者单位： | [1]兰州重离子加速器国家实验室原子核理论研究中心 [2]中国科学院近代物理研究所 |
| |
| 基金项目： | 国家自然科学基金,中国科学院基金,国家教委基金 |
| |
| 摘 要： | 在紧密结合分子动力学模型基础上，对Ｎａ４的两种异构体Ｄ２ｈ和Ｃ２Ｖ和结构性质随温度的进行了系统性研究。发现在低温时，这两划构体具有明显有不同；在较高温度时，能够发现Ｃ２Ｖ和Ｄ２ｈ两种异构体之间的转变；在更高温度时，这两种异构体Ｃ２ｖ和Ｄ２ｈ都处于液态。
|
| 关 键 词： | Na4团簇 异构化 紧密结合 分子动力学模型 |
ISOMERISATION IN Na 4 CLUSTERS AT FINITE TEMPERATURES |
| |
| Wang Feng , Zhang Fengshou , Ke Xuezhi , Zhu Zhiyuan , Center of Theoretical Nuclear Physics,National Laboratory of Heavy Ion Accelerator Lanzhou Institute of Modern Physics,Academia Sinica Lanzhou.ISOMERISATION IN Na 4 CLUSTERS AT FINITE TEMPERATURES[J].Journal of Atomic and Molecular Physics,1999,16(1):33-38. |
| |
| Authors: | Wang Feng Zhang Fengshou Ke Xuezhi Zhu Zhiyuan Center of Theoretical Nuclear Physics National Laboratory of Heavy Ion Accelerator Lanzhou Institute of Modern Physics Academia Sinica Lanzhou |
| |
| Institution: | Wang Feng 1,2 Zhang Fengshou 1,2 Ke Xuezhi 1,3 Zhu Zhiyuan 1,3 1 Center of Theoretical Nuclear Physics,National Laboratory of Heavy Ion Accelerator Lanzhou 730000 2 Institute of Modern Physics,Academia Sinica Lanzhou 7300 |
| |
| Abstract: | Based on the tight binding molecular dynamics simulations, the structure properties of the two isomers of Na 4 with symmetries of D 2h and C 2v are systematically studied. It is found that these wo isomers present dramatically different properties at low temperatures ( T <100K) and the structure transitions between these two isomers with increasing the temperature. At temperature T =400K, both of these isomers are in the liquid like state. |
| |
| Keywords: | Na 4 clusters Isomerisation Tight Binding molecular dynamics |
| 本文献已被 CNKI 维普 等数据库收录！ |
| 点击此处可从《原子与分子物理学报》浏览原始摘要信息 |
| 点击此处可从《原子与分子物理学报》下载免费的PDF全文 |
