铜、银及铂原子纳米团簇熔点随尺寸非单调变化的分子动力学模拟研究

人工晶体学报, 2006, 35(2): 351-350. doi: 10.3969/j.issn.1000-985X.2006.02.033

铜、银及铂原子纳米团簇熔点随尺寸非单调变化的分子动力学模拟研究

罗强 ^1, , 王新强 ^2, , 何焕典 ^3, , 毋志民 ^4, , 肖绪洋 ^5,

1.西南石油大学电子信息工程学院,成都,610500

2.重庆大学数理学院,重庆,400044

3.堪江师范学院,湛江,524048

4.重庆大学数理学院,重庆,400044

5.重庆大学数理学院,重庆,400044

基金项目: 中国科学院资助项目(50172018)

关键词：纳米团簇 , 熔点 , 分子动力学模拟

Molecular Dynamics Study on the Non-monotonous Size-dependence of the Melting Temperatures of Silver,Copper and Platinum Nanoclusters

采用分子动力学方法和原子嵌入法模型势模拟了铜原子、银原子及铂原子纳米团簇的熔化过程,研究了这些金属原子纳米团簇熔点与团簇尺寸的关系,发现各自在小于一定数目原子的金属纳米团簇的熔点不再随尺寸的变小而单调下降,通过对各种团簇溶化前后结构的比较研究,分析了导致这种现象的原因.

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铜、银及铂原子纳米团簇熔点随尺寸非单调变化的分子动力学模拟研究

Molecular Dynamics Study on the Non-monotonous Size-dependence of the Melting Temperatures of Silver,Copper and Platinum Nanoclusters

参考文献