关键词: 碳纳米管, 屈曲, 缺陷, 分子动力学

Abstract:

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.

Key words: carbon nanotube, buckling, defect, molecular dynamics