Nanoplasticity of single-wall carbon nanotubes under uniaxial compression

Nanoplasticity of thin single-wall carbon nanotubes under uniaxial compression is investigated using generalized tight-binding molecular dynamics, and nb 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 (sp(2)) to a localized diamondlike (sp(3)) reconstruction. The computed critical stress (approximate to 153 GPa) and the shape of the resulting plastic deformation is in good agreement with recent experimental observations.