MD simulation of the frictional behavior of CNTs with respect to orientation

In this work, the frictional behaviors of carbon nanotubes under various sliding conditions were investigated using Molecular Dynamics Simulation. A single CNT and multiple aligned CNTs were modeled for friction simulation under a normal load ranging from 3 nN to 32 nN. Three sliding directions were chosen to investigate the effects of orientation. Results showed that a lower friction coefficient was obtained under high normal loads for all cases. When a single nanotube was used, the friction coefficient along the 0° direction was the smallest, while simulations with multiple aligned CNTs exhibited the smallest friction coefficient along the 90° direction.

► Tribological behavior of CNT with various orientation and normal load was examined. ► As normal load increased, friction coefficient decreased for all cases. ► For single nanotube, 0° of orientation showed the lowest friction coefficient. ► For multiple nanotubes, interaction between CNTs inhibited rolling of CNT. ► Orientation effect depends on normal load and interaction between CNTs.