Molecular dynamic simulation of defect-driven rotary system based on a triple-walled carbon nanotube and graphene

XT Lin and Q Han, MOLECULAR SIMULATION, 46, 356-361 (2020).

DOI: 10.1080/08927022.2019.1703977

In this paper, a nanoscale rotary system, composed of graphene substrate and triple-walled nanotube driven by defect effect, is proposed. Its rotational properties, as well as the influence of temperature, defect location and chiral combination of carbon nanotube, are systematically investigated using molecular dynamic simulations. It is found that the rotation of the nanotubes is driven by the defects placed on the graphene with a stable rotation frequency, and that the source of energy for the rotary system is originated from the unbalanced atomic vibration on graphene near carbon nanotubes. The results show that the system temperature, the location of the defect and the chiral pair of the carbon nanotubes have effects on the rotor rotation frequency. Based on the analysis of molecular dynamic simulation results, the mechanism of this rotation is studied. The application of nano-rotation system, composed of graphene and triple-walled carbon nanotubes in nanomachines, is prospected.

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