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

被引：3
|
作者：
Ju Shin-Pon [2 ]
Weng Meng-Hsiung [2 ]
Lin Jenn-Sen [1 ]
Lu Jian-Ming [3 ]
Chang Jee-Gong [3 ]
Wu Wen-Hsien [2 ]
机构：
[1] United Univ, Miaoli 360, Taiwan
[2] Natl Sun Yat Sen Univ, Ctr Nanosci & Nanotechnol, Dept Mech & Electromech Engn, Kaohsiung 80424, Taiwan
[3] Ctr High Performance Comp, Tainan 701, Taiwan
来源：
CHINESE JOURNAL OF CATALYSIS | 2008年 / 29卷 / 11期
关键词：
molecular dynamics simulation; carbon nanotube; water; tensile loading; mechanical behavior; nano-confinement;
D O I：
10.1016/S1872-2067(09)60010-3
中图分类号：
O69 [应用化学];
学科分类号：
081704 ;
摘要：
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.
引用
收藏
页码：1113 / 1116
页数：4
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