Formation of a Five-Seven Pair Couple Defect in Double-Walled Carbon Nanotubes under Bending Deformation

Simulations of double-walled carbon nanotubes under bending deformation using the tight-binding molecular dynamics method were carried out. Five- and seven-membered ring pair defects were formed after emission of several atoms from the tube structure. These defect pair couples have different structures corresponding to the number of emitted atoms and stabilize the resulting nanotubes. Our results imply that the defect pair couples represent one of the potential origins of the experimentally observed plastic deformations that have been shown to occur in double-walled carbon nanotubes. The various defects obtained by the simulations are discussed in relation to other defect types.