Axial buckling behavior of wavy carbon nanotubes: A molecular mechanics study

In this study, we investigate the axial compressive stress–strain relationships and deformation processes of wavy single-walled carbon nanotubes (SWCNTs) with multiple Stone–Wales defects using molecular mechanics simulations with the adaptive intermolecular reactive empirical bond-order potential. The wavelength to amplitude ratios of the wavy SWCNTs modeled in this study are 50, 100, or 200. The wavy models have point-symmetric or asymmetric waveforms with respect to the tube axial center. It is found that the symmetric wavy models exhibit a buckling point during axial compression due to bifurcation of the deformation path and experience nearly the same buckling stresses as their pristine straight counterparts. Our simulations show that, regardless of the waveform, wavelength, and amplitude, the axial compressive strength of wavy SWCNTs is in good agreement with the Euler buckling stress.