Torsional responses of double-walled carbon nanotubes via molecular dynamicssimulations

Abstract

The buckling behaviors of double-walled carbon nanotubes (DWCNTs) undertorsion are investigated by using molecular dynamics (MD) simulations. The effectof length on the torsional buckling behaviors of DWCNTs is examined for thefirst time. The simulation results show that the DWCNTs experience gradualor simultaneous buckling deformations depending on their lengths. In addition,the effect of the inner tube in a DWCNT on its torsional buckling behavior isalso examined. The presence of the inner tube triggers van der Waals (vdW)interactions between it and the outer tube and thus leads to a stiffening effect ofthe DWCNT against torsional deformation. Whether the ends of the inner tubeare free or fixed and whether it is subject to a torque or not, the critical torqueand the critical torsional angle of the outer tube are only marginally affected.