Twisting carbon nanotubes: A molecular dynamics study - Archive ouverte HAL
Article Dans Une Revue Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces Année : 2010

Twisting carbon nanotubes: A molecular dynamics study

Résumé

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
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Dates et versions

hal-01025431 , version 1 (06-09-2024)

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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⟩
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