Molecular dynamics simulation of buckling of defective double-wall carbon nanotubes under axial compression

被引:0
作者
机构
[1] School of Civil Engineering and Transportation, South China University of Technology, Guangzhou 510640, Guangdong
来源
Xin, H. (jackyxh@163.com) | 1600年 / South China University of Technology卷 / 40期
关键词
Buckling; Carbon nanotube; Defect; Molecular dynamics;
D O I
10.3969/j.issn.1000-565X.2012.02.007
中图分类号
学科分类号
摘要
In order to fully reveal the mechanical properties of double-wall carbon nanotubes (DWCNTs), the bulking of the nanotubes under axial compression is investigated through the molecular dynamics simulation, and the bearing properties and the deformation of the individual inner and outer layers are emphatically analyzed and compared by taking into consideration the defect of the inner tube. The results show that, for a double-wall nanotube fabricated with two single-wall nanotubes, the bearing capacities of both the inner and the outer tubes greatly improve even though the inner tube is defective, and that, when the force is exerted only on the inner tube, the deformations of the inner and the outer tubes are inharmonious.
引用
收藏
页码:35 / 38+44
相关论文
共 12 条
[11]  
Walther J.H., Jaffe R., Halicioglu T., Et al., Carbon nanotubes in water: Structural characteristics and energetics, The Journal of Physical Chemistry B, 105, 41, pp. 9980-9987, (2001)
[12]  
Rappe A.K., Casewit C.J., Colwell K.S., Et al., UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations, Journal of the American Chemical Society, 114, 25, pp. 10024-10035, (1992)