Modelling of energy transfer induced by longitudinal shaking of one atom row in carbon nanoribbons

I.P. Lobzenko1,2, I. Evazzade3, M.R. Roknabadi3, R.I. Makhmutova4, S.V. Dmitriev2,5
1Institute of Molecule and Crystal Physics, Ufa Scientific Center, Russian Academy of Sciences, Ufa, 450054 Russia
2Institute for Metals Superplasticity Problems, RAS, Khalturina 39, 450001, Ufa, Russia
3Department of Physics, Ferdowsi University of Mashhad, Vakilabad Highway, 9177948974, Mashhad, Iran
4Bashkir State Agrarian University, 50 let Oktyabrya 34, 450001, Ufa, Russia
5Peter the Great St. Petersburg Polytechnic University, 29 Polytechnicheskaya St., 195251, St. Petersburg, Russia
The energy transfer affected by the presence of discrete breathers (DB) in the carbon nanoribbons is investigated by means of molecular dynamics. The nanoribbons we consider are long in the “armchair” direction and narrow in “zigzag” direction graphene planes. The system is treated under the strain with deformation components being εxx = 0.35 (which coincides with zigzag direction), εyy = −0.1 (which coincides with armchair direction). Such strain applied to graphene leads to the existence of the gap in phonon spectrum and therefore to the possibility of exciting discrete breathers with frequencies within the gap. The energy transfer to the system is induced by shaking of the central zigzag chain (the carbon chain of atoms prolate in x direction). The shaking is implemented by displacing each atom of the chain according to the sinusoidal function of time. It is shown that for the frequencies of shaking lying in the gap of graphene phonon spectrum there is non negligible energy transfer to the ribbon. We attribute this phenomenon with the excitation of two discrete breathers (one at each side of the shaking chain). For the frequencies of shaking being lower than the discrete breather resonant frequency the DB prevents energy transfer to the system, while for higher frequencies of shaking the DB promotes the energy spreading.
Accepted: 02 June 2016
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