Thermal stability of single and multi-walled carbon nanotubes

This paper investigates the thermal stability of single and multi-walled carbon nanotubes (CNTs). The modeling and simulation of the problem are carried out using molecular dynamics simulation incorporating the Berendsen thermostat scheme for both open-ended and close-capped CNTs. It is found that single-walled CNTs are thermally more stable than multi-walled CNTs. The simulations also indicate that shorter CNTs are able to withstand higher thermal loads. CNTs with a larger diameter are also more resistant to thermal loads. ©2005 The American Physical Society.