Effects of boron doping on mechanical properties and thermal conductivities of carbon nanotubes

The paper presents the elastic and failure behaviors as well as the thermal conductivities of pure and boron doped carbon nanotubes (CNTs). The molecular dynamic simulation technique is applied to investigate the effects of various doping concentrations, loading rates and temperatures on the mechanical characteristics of the mentioned nanostructures. The results show the decrement in the maximum strengths and thermal conductivities when the CNTs are doped with boron. For example, only 5% boron doping reduces the thermal conductivity more than 65%. (C) 2012 Elsevier Ltd. All rights reserved.