Based upon the physics at the nanoscale, defect nucleation in single-walled carbon nanotubes was studied using classical continuum field theory and the gauge field theory of defects. In spite of the continuum assumptions implicit in the models, reasonably close qualitative and quantitative agreement with existing atomistic simulations was obtained. This supported the belief that continuum formulations, with a correct incorporation of the relevant physics, could be a powerful but simple tool for exploring nanoscale phenomena in carbon nanotubes. The results were more sensitive to chirality than to the size of the nanotubes.

Continuum Field Model of Defect Formation in Carbon Nanotubes. Z.Li, P.Dharap, P.Sharma, S.Nagarajaiah, B.I.Yakobson: Journal of Applied Physics, 2005, 97[7], 074303