Nonlinear Phenomena in Complex Systems, 2011, Vol.14, No.4, pp.417-421

NONLINEAR PHENOMENA IN COMPLEX SYSTEMS
An Interdisciplinary Journal

2011, Vol.14, No.4, pp.417-421

Molecular Mechanics Methods of Carbon Nanotubes Vibration Spectra with and without Molecules Incorporation.
A. L. Pushkarchuk, A. A. Khrutchinsky, S. A. Kuten, V. A. Pushkarchuk, A. P. Nizovtsev, S. Ya. Kilin, A. M. Saad

This work explored the influence of molecules, incorporated in a single wall nanotube, on the nanotube vibration spectrum using the molecular mechanics methods. It has been shown that the main effect results in shifting the spectra towards a lower frequency region. The shift value is 5 - 10 % and depends on the molecule type incorporated in the nanotube. The shift increases as the number of incorporated molecules increases but this shift is not linearly proportional to this number.
Key words: nanotube, vibration, spectrum, eigenfrequency, shift spectrum, incorporated molecule

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