Torsion of single-wall carbon nanotubes: molecular dynamics study

Alexander I. Melker; Kirill I. Zhaldybin

doi:10.1117/12.726715

10 April 2007 Torsion of single-wall carbon nanotubes: molecular dynamics study

Alexander I. Melker, Kirill I. Zhaldybin

Proceedings Volume 6597, Nanodesign, Technology, and Computer Simulations; 65970C (2007) https://doi.org/10.1117/12.726715
Event: Nanodesign, Technology, and Computer Simulations, 2006, Olsztyn, Poland

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.

Citation Download Citation

Alexander I. Melker and Kirill I. Zhaldybin "Torsion of single-wall carbon nanotubes: molecular dynamics study", Proc. SPIE 6597, Nanodesign, Technology, and Computer Simulations, 65970C (10 April 2007); https://doi.org/10.1117/12.726715

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