| Ag纳米线熔化过程的计算模拟 |
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| 引用本文： | 石端文,廖元锡. Ag纳米线熔化过程的计算模拟[J]. 海南师范大学学报(自然科学版), 2007, 20(2): 138-141 |
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| 作者姓名： | 石端文 廖元锡 |
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| 作者单位： | 1. 海南师范大学物理系,海南,海口,571158;中国科学院国际材料物理中心,辽宁,沈阳,110016
2. 海南师范大学物理系,海南,海口,571158 |
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| 基金项目： | 海南师范大学博士科研启动基金资助项目(13140258) |
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| 摘 要： | 利用分子动力学方法模拟了Ag纳米线的熔化和过热,模拟中采用了一种镶嵌原子势模型.结果表明:自由Ag纳米线的熔点比大块Ag的平衡熔点低,而被高熔点的Ni包覆的Ag纳米线的熔点比Ag的平衡熔点高,即有过热存在.这说明纳米线也可以过热,分析其原因是由于Ag/Ni半共格界面的存在抑制了熔化的形核和生长.
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| 关 键 词： | 纳米线 熔化 过热 分子动力学模拟 |
| 文章编号： | 1671-8747(2007)02-0138-04 |
| 修稿时间： | 2007-02-25 |
Modelling and simulation of melting processes in Ag nanowires |
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| Shi Duanwen,Liao Yuanxi. Modelling and simulation of melting processes in Ag nanowires[J]. Journal of Hainan Normal University:Natural Science, 2007, 20(2): 138-141 |
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| Authors: | Shi Duanwen Liao Yuanxi |
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| Abstract: | Superheating of metal particles and thin films has been experimentally achieved in a number of metal systems. In this paper, the superheating of Ag nanowires was studied by using a molecular dynamics (MD) method at atomic level. The simulation results showed a superheating about 193K in the Ag nanowires which is coated by Ni. and the epitaxial Ag/Ni interface formed in such systems. These computer experiments provide a possibility of elevaing the instability tempera- ture against melting for low- dimensional materials of increasingly microelectronic technological in- terests. |
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| Keywords: | nanowires melting superheating molecular dynamics simulation |
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