Buckling of defective single-walled and double-walled carbon nanotubes under axial compression by molecular dynamics simulation

Buckling of defective single-walled and double-walled carbon nanotubes (SWCNTs and DWCNTs, respectively) due to axial compressive loads has been studied by molecular dynamics simulations, and results compared with those of the perfect structures. It is found that single vacancy defect greatly weakens the carrying capacity of SWCNTs and DWCNTs, though it does slight harm to the effective elastic modulus of the tubes. The influence of defects on the buckling properties of nanotubes is related to the density of the defects, and the relative position of defects also plays an important role in buckling of DWCNTs. The van der Waals force among atoms in the inner and the outer tubes of short defective DWCNTs makes the critical buckling strain of DWCNTs greater than that of the inner tube. (c) 2008 Elsevier Ltd. All rights reserved.