Torsion and rotation simulation of multi-walled carbon nanotube : study on interlayer interaction

Abstract

In order to discuss the interlayer interaction in the multi-walled carbon nanotubes, one of the layers in five-walled CNT is deformed in torsion or rotation by molecular dynamics method. In the torsional simulation, the relationship between the torque and the specific twist angle in each layer shows the increase of torque in only deformed layer. On the other hand, a decrease in torsional velocity raises the influence on the inner layer on the post buckling. In the rotation simulation, it is observed that adjacent layer to the deformed layer follow the rotation deformation.