Fracture of single-wall carbon nanotubes under compression: molecular dynamics study

Vasilii A. Basov; Alexander I. Melker; Vladislav V. Nelaev

doi:10.1117/12.619480

29 April 2005 Fracture of single-wall carbon nanotubes under compression: molecular dynamics study

Vasilii A. Basov, Alexander I. Melker, Vladislav V. Nelaev

Author Affiliations +

Proceedings Volume 5831, Eighth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering; (2005) https://doi.org/10.1117/12.619480
Event: Eighth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, 2004, St. Petersburg, Russian Federation

Abstract

In this contribution, we report on a study of fracture of single wall achiral carbon nanotubes. We have used a molecular dynamics model of charges at bonds taking into account both the electronic and atomic degrees of freedom. Such approach allows one to study the excited states formed by electronic transitions. We observed structure changes of single wall carbon nanotubes under compression and calculated also stress-strain diagrams in the temperature range of 100 to 900 K. To explain the data obtained, we have developed a phenomenological theory of carbon nanotube compression.

Citation Download Citation

Vasilii A. Basov, Alexander I. Melker, and Vladislav V. Nelaev "Fracture of single-wall carbon nanotubes under compression: molecular dynamics study", Proc. SPIE 5831, Eighth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (29 April 2005); https://doi.org/10.1117/12.619480

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