Abstract
Nanoplasticity of thin single-wall carbon nanotubes under uniaxial compression is investigated using generalized tight-binding molecular dynamics, and ab initio electronic structure methods. A novel mechanism of nanoplasticity of carbon nanotubes under uniaxial compression is observed in which bonding geometry collapses from a graphitic ( ) to a localized diamondlike ( ) reconstruction. The computed critical stress ( ) and the shape of the resulting plastic deformation is in good agreement with recent experimental observations.
- Received 16 April 1999
DOI:https://doi.org/10.1103/PhysRevLett.83.2973
©1999 American Physical Society