Kinetic model of the interstitial defect dynamics in a carbon nanotube wall structure

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