MRS Proc. 2001 DOI: 10.1557/proc-706-z9.8.1 View full text
M. Huhtala, A. Kuronen, K. Kaski

Abstract: AbstractBending induced deformations in single walled carbon nanotubes with zigzag and armchair chirality have been studied computationally using a classical molecular dynamics simulation method. In this the interatomic forces have been described with Brenner's empirical model potential. The results given by this classical model have been assessed by letting the most critical, i.e. the most deformed part, of the nanotube further relax by using a dynamical tight binding simulation method. We find that the empir…

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