Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2009-09-18
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
8 Figures
Scientific paper
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.
Devel Michel
Dulmet Bernard
Wang Zhao
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