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| 水中受拉伸负载下单壁纳米碳管机械性质的分子动力学研究 | |
| 引用本文： | 朱训鹏,翁盟雄,林振森,卢建铭,张自恭,吴文贤.水中受拉伸负载下单壁纳米碳管机械性质的分子动力学研究[J].催化学报,2008,29(11). |
| 作者姓名： | 朱训鹏 翁盟雄 林振森 卢建铭 张自恭 吴文贤 |
| 作者单位： | 1. 中山大学机械与机电工程学系纳米科技与科学中心,台湾高雄,80424 2. 联合大学机械工程学系,台湾苗栗,360 3. 高速计算机中心,台湾台南,701 |
| 摘 要： | 利用分子动力学方法研究了(5,5)扶手椅型和(10,10)锯齿型纳米碳管在水中受拉伸负载下的机械性质.通过计算纳米碳管中氧和氢原子的局部密度分布研究了限制效应.结果表明,碳管在水中的杨式系数与在真空下相同,而碳管在水中的拉伸应力小于在真空中的. |
| 关 键 词： | 分子动力学 纳米碳管 水 拉伸负载 机械性质 纳米限制 |
Mechanical Behavior of Single-Walled Carbon Nanotubes in Water under Tensile Loadings: A Molecular Dynamics Study |
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| JU Shin-Pon,WENG Meng-Hsiung,LIN Jenn-Sen,LU Jian-Ming,CHANG Jee-Gong,WU Wen-Hsien.Mechanical Behavior of Single-Walled Carbon Nanotubes in Water under Tensile Loadings: A Molecular Dynamics Study[J].Chinese Journal of Catalysis,2008,29(11). | |
| Authors: | JU Shin-Pon WENG Meng-Hsiung LIN Jenn-Sen LU Jian-Ming CHANG Jee-Gong WU Wen-Hsien |
| Abstract: | Molecular dynamics simulation was carried out to investigate the behavior of (5,5) and (10,10) armchair carbon nanotubes in water under tensile loading. The water molecules inside a nanoscale tube,unlike inside a bulk tube,have a confined effect. The local density distributions of oxygen and hydrogen atoms inside the carbon nanotubes were calculated to find the confinement effect. Moreover,the mechanical behavior of carbon nanotubes in water was studied under tensile loading. The results show that the Young's modulus of nanotubes in water remains the same as that in vacuum. However,the tensile stress of nanotube in water is less than that in vacuum. |
| Keywords: | molecular dynamics simulation carbon nanotube water tensile loading mechanical behavior nano-confinement |
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