Effect of strain rate on the buckling behavior of single- and double-walled carbon nanotubes

Abstract

Molecular dynamics simulations are performed on single- (SWCNTs) and double-walled carbon nanotubes (DWCNTs) to investigate the effects of strain rate on their buckling behavior. The Brenner’s second-generation reactive empirical bond order and Lennard-Jones 12-6 potentials are used to describe the short range bonding and long range van der Waals atomic (vdW) interaction within the carbon nanotubes, respectively. The sensitivity of the buckling behavior with respect to the strain rate is investigated by prescribing different axial velocities to the ends of the SWCNTs and DWCNTs in the compression simulations. In addition, the effects of vdW interaction between the walls of the DWCNTs on their buckling behavior are also examined. The simulation results show that higher strain rates lead to higher buckling loads and buckling strains for both SWCNTs and DWCNTs. A distinguishing characteristic between SWCNTs and DWCNTs is that the former experiences an abrupt drop in axial load whereas the axial load in latter decreases over a finite, albeit small, range of strain after buckling initiates. The buckling capability of DWCNT is enhanced in the presence of vdW interaction. DWCNTs can sustain a higher strain before buckling than SWCNTs of similar diameter under otherwise identical conditions.