The interstitial defect of nanotube wall structure arose as a result of interaction of a nanotube with C atoms as one of the components of nanostructure formation medium. By means of molecular dynamics modeling, it was shown that further evolution of such a defect due to thermal motion has a character of transitions among metastable states. The kinetic model was proposed for the description of this process and rate constants as functions of temperature were calculated. The dependence of the activation energy on the tube type and diameter was analyzed. The model developed was expected to permit simulation of large-time-scale processes, such as nanotube annealing.

Kinetic Model of the Interstitial Defect Dynamics in a Carbon Nanotube Wall Structure. M.Britch: Physical Review B, 2005, 72[8], 085428 (5pp)