Buckling of carbon nanotubes at high temperatures

Presented herein is an investigation into the buckling behavior of single-walled carbon nanotubes (SWCNT) subjected to axial compression and torsion at high temperatures. This study is carried out by performing molecular dynamics (MD) simulations at both room temperature and extremely high temperatures. It is observed that the SWCNT becomes more susceptible to buckling in a higher temperature environment, especially when the SWCNT is subject to axial compression. The high thermal energy enhances the vibration of carbon atoms in the SWCNT significantly, which leads to bond breaking and the formation of sp3 bonds as well as Stone–Wales (SW) defects in the postbuckling stage.