Dispersion of a bundle of carbon nanotubes by mechanical torsional energy

Abstract

Dispersion of a bundle of carbon nanotubes by applying torsional energy is realized by molecular dynamics simulations. The torsional energy applied on the two ends of the bundle leads to a local buckling of the tube structures. The impulse between carbon nano-tubes owing to the local buckling of the tubes forms the driving force through a process of releasing the energy for a successful dispersion. The critical dispersion energy between two carbon nanotubes in a bundle in different solutions and the critical torsional energy for a successful dispersion are calculated by molecular dynamics simulations, and thus the dispersion efficiency is obtained. Effects of different parameters, such as the length and the diameter of the carbon nano-tubes and the temperature of the solution, on the dispersion efficiency are discussed. The dispersion of a bundle of five carbon nano-tubes in an aqueous solution is realized to further prove the feasibility of the proposed dispersion method by torsional energy. This paper provides an effective mechanical approach for dispersion of carbon nano-tubes from their bundle structure.