Bending behavior of double-walled carbon nanotubes with sp3 interwall bonds

Abstract

The bending behavior of double-walled carbon nanotubes (DWCNTs) with sp3 interwall bonding is investigated by using molecular dynamics simulations. The presence of sp3 interwall bonding is shown to have a significant influence on the bending properties of DWCNTs and the effects are strongly dependent on the sp3 distribution density as well as temperature and geometry of DWCNTs. The adverse initial perturbation dominates at a low distribution density and thereby making the DWCNTs more susceptible to bending instability. However, the stiffening effect of sp3 interwall bonding is triggered after a sufficiently large distribution density is reached and one can expect the bending rigidity of the DWCNTs to improve substantially thereafter with increasing distribution density. © 2011 American Institute of Physics.