催化学报

催化学报 ›› 2008, Vol. 29 ›› Issue (11): 1113-1116.

• 研究论文 • 上一篇    下一篇

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

朱训鹏1, 翁盟雄1, 林振森2, 卢建铭3, 张自恭3, 吴文贤1   

  1. 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
  • 收稿日期:2008-11-25 出版日期:2008-11-25 发布日期:2012-08-17

Mechanical Behavior of Single-Walled Carbon Nanotubes in Water under Tensile Loadings: A Molecular Dynamics Study

JU Shin-Pon1, WENG Meng-Hsiung1, LIN Jenn-Sen2*, LU Jian-Ming3,CHANG Jee-Gong3, WU Wen-Hsien1   

  1. 1 Department of Mechanical and Electro-Mechanical Engineering, Center for Nanoscience and Nanotechnology, Sun Yat-Sen University, Kaohsiung 80424, Taiwan, China; 2 United University, Miaoli 360, Taiwan, China;
  • Received:2008-11-25 Online:2008-11-25 Published:2012-08-17

PDF

710

被引次数

4

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

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 Young’s modulus of nanotubes in water remains the same as that in vacuum. However, the tensile stress of nanotubes in water is less than that in vacuum.

Key words: molecular dynamics simulation, carbon nanotube, water, tensile loading, mechanical behavior, nano-confinement