Bending induced rippling and twisting of multiwalled carbon nanotubes.

We report that a twisting deformation mode emerges with the rippling in bent multiwalled carbon nanotubes via atomistic simulations. This mode arises from the curvature-induced lattice mismatch, and is energetically favorable. For the nanotubes with larger radii, twisting may enhance the local strain relaxation. Under the thermal fluctuation, the nucleation of defects involves bond breaking and reconstruction due to strain localization. The defective inner tubes undergo the cyclic torsion, resulting in unstable necking and even failure. Prior to fracture, a monatomic chain is formed under the combination of bending and twisting.