Twisting Carbon Nanotubes: A Molecular Dynamics Study
Mesoscale and Nanoscale Physics
2009-09-21 v1 Materials Science
Abstract
We simulate the twist of carbon nanotubes using atomic molecular dynamic simulations. The ultimate twist angle per unit length and the deformation energy are calculated for nanotubes of different geometries. It is found that the big tube is harder to be twisted while the small tube exhibits higher ultimate twisting ratio. For multi-walled nanotubes, the zigzag tube is found to be able to stand more deformation than the armchair one. We observed the surface transformation during twisting. Formation of structural defects is observed prior to fracture.
Cite
@article{arxiv.0909.3373,
title = {Twisting Carbon Nanotubes: A Molecular Dynamics Study},
author = {Zhao Wang and Michel Devel and Bernard Dulmet},
journal= {arXiv preprint arXiv:0909.3373},
year = {2009}
}
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