Torsion of single-wall carbon nanotubes: molecular dynamics study

Abstract

In this contribution, we report on a study of fracture under torsion of single wall achiral carbon nanotubes. We have used a 'bond-charge' molecular dynamics model taking into account both the electronic and atomic degrees of freedom. We observed structure changes of single wall carbon nanotubes under torsion and calculated also stress-strain diagrams in the temperature range of 100 to 1200 K.