| 填充原子的碳纳米管屈曲性能 |
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| 引用本文： | 陈皓,施冬莉.填充原子的碳纳米管屈曲性能[J].上海大学学报(自然科学版),2014,20(3):362-367. |
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| 作者姓名： | 陈皓 施冬莉 |
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| 作者单位： | 1. 上海大学上海市应用数学和力学研究所, 上海200072; 2. 上海大学理学院, 上海200444 |
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| 基金项目： | 国家自然科学基金资助项目(10802044) |
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| 摘 要： | 利用分子动力学方法对填充铜原子的单壁碳纳米管进行了轴向压缩模拟计算, 并探讨了填充原子位置对完美的及含缺陷的碳纳米管屈曲性能的影响. 研究结果表明, 填充原子的位置对完美的碳纳米管的屈曲临界应变没有影响, 但影响发生屈曲变形的位置; 对于含单原子缺陷的单壁碳纳米管, 缺陷与填充原子相对位置的不同会显著影响碳纳米管的屈曲性能.
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| 关 键 词： | 分子动力学 屈曲 缺陷 填充原子 单壁碳纳米管 |
| 收稿时间： | 2013-06-05 |
Buckling Behavior of Carbon Nanotubes Filled Atoms |
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| CHEN Hao,SHI Dong-li.Buckling Behavior of Carbon Nanotubes Filled Atoms[J].Journal of Shanghai University(Natural Science),2014,20(3):362-367. |
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| Authors: | CHEN Hao SHI Dong-li |
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| Affiliation: | 1. Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai 200072, China;
2. College of Sciences, Shanghai University, Shanghai 200444, China |
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| Abstract: | This paper presents the simulation of axial compression of single-walled carbon nanotubes (CNTs) filled with copper atoms. The effect of the filled atoms’ position on buckling behavior of perfect CNTs and defective CNTs is studied. It has been shown that the position of filled atoms has no effect on the buckling strain of perfect CNTs, but affects the buckling position. For CNTs with single atomic defect, the relative position of defect and filled atoms significantly affect the buckling behavior of CNTs. |
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| Keywords: | buckling filled atom molecular dynamics method defect single-walled carbon nanotube |
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