Twisting carbon nanotubes: A molecular dynamics study

Zhao Wang (1) , Michel Devel (2) , Bernard Dulmet (2)

1 LITEN - Laboratoire d'Innovation pour les Technologies des Energies Nouvelles et les nanomatériaux
2 FEMTO-ST - Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174)

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 thick tube is harder to be twisted while the thin 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

Domaines: Micro et nanotechnologies/Microélectronique

Zhao Wang, Michel Devel, Bernard Dulmet. Twisting carbon nanotubes: A molecular dynamics study. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2010, 604, pp.496 - 499. ⟨10.1016/j.susc.2009.12.007⟩. ⟨hal-01025431⟩