| 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 |
| |
| 引用本文： | 罗强,王新强,何焕典,毋志民,肖绪洋. 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[J]. 人工晶体学报, 2006, 35(2): 351-354,350 |
| |
| 作者姓名： | 罗强 王新强 何焕典 毋志民 肖绪洋 |
| |
| 作者单位： | 西南石油大学电子信息工程学院,成都,610500;重庆大学数理学院,重庆,400044;堪江师范学院,湛江,524048 |
| |
| 基金项目： | 四川省高校重点实验室“测控技术与自动化”基金资助 |
| |
| 摘 要： | 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。
|
| 关 键 词： | 纳米团簇 熔点 分子动力学模拟 |
| 文章编号： | 1000-985X（2006）02-0351-04 |
| 收稿时间： | 2005-09-22 |
| 修稿时间： | 2005-09-22 |
Molecular Dynamics Study on the Non-monotonous Size-dependence of the Melting Temperatures of Silver,Copper and Platinum Nanoclusters |
| |
| LUO Qiang,WANG Xin-qiang,HE Huan-dian,WU Zhi-min,XIAO Xu-yang. Molecular Dynamics Study on the Non-monotonous Size-dependence of the Melting Temperatures of Silver,Copper and Platinum Nanoclusters[J]. Journal of Synthetic Crystals, 2006, 35(2): 351-354,350 |
| |
| Authors: | LUO Qiang WANG Xin-qiang HE Huan-dian WU Zhi-min XIAO Xu-yang |
| |
| Affiliation: | 1. School of Electronic Information Engineering, Southwest Petroleum University, Chengdu 610500, China; 2. College of Science, Chongqing University, Chongqing 4000441 China; 3. Zhanjiang Normal University, Zhangjiang 524008, China |
| |
| Abstract: | The melting processes of copper,silver and platinum nanoclusters containing up to hundreds atoms were simulated by using molecular dynamics.The relationship between the melting point and the size of the clusters was studied,and it is found that the melting point did not decrease monotonically with cluster size when the clusters size was small enough.The reason for leading to this phenomenon was analyzed by computer. |
| |
| Keywords: | nanocluster melting point molecular dynamics simulation |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
|
