Effect of bending on the molecular transport along carbon nanotubes

Abstract

The effect of bending on the molecular transport and oscillation of carbon nanotube–fullerene‐based systems is investigated using molecular dynamics simulations. It is known that single‐walled carbon nanotubes demonstrate gradual buckling phenomenon under bending strain. In this work, we investigate the limit of bending curvature for successful transport of fullerene along a carbon nanotube for nanotube–fullerene‐based systems. We also analyze the behavior of nanotube transport through another nanotube for nanotube–nanotube‐based systems. The dependence of transport characteristics on the atomicity of the inner nanotube is also investigated in this regard. In addition, the effect of the outer nanotube's diameter and surface smoothness on the oscillation stability in relation to the oscillation property of the inner molecules has been studied for both systems.