Evaluation of the effective cross sections and reaction rates for carbon atom-nanotube interactions

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Abstract

The collisions of a carbon atom with a single-wall carbon nanotube are investigated by means of the molecular dynamics modeling. The results show a variety of channels for the process depending on the collision parameters. The effective cross sections of the channels have been calculated. The kinetic model of the nanotube transformations is formulated and the rate coefficients as functions of temperature have been obtained based on the cross section values. © 2006 Elsevier Ltd. All rights reserved.

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Britch, M. A., Borovik, F. N., Dobrego, K. V., & Krasovskaya, L. I. (2007). Evaluation of the effective cross sections and reaction rates for carbon atom-nanotube interactions. Carbon, 45(3), 471–476. https://doi.org/10.1016/j.carbon.2006.11.003

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