Low frequency vibrations of carbon nanoscrolls

A. Savin1, E.A. Korznikova2, S.V. Dmitriev3
1Semenov Institute of Chemical Physics, Russian Academy of Sciences, Kosygin St. 4, Moscow 117977, Russia
2Institute for Metals Superplasticity Problems, Russian Academy of Science, Khalturin St. 39, Ufa 450001, Russia
3Tomsk State University, Lenin Prospekt 36, Tomsk 634050, Russia
The carbon atoms are able to create a huge variety of structures, including recently discovered its monatomic layer - graphene attracting a great attention of researchers. Graphene is a recently discovered material with prominent properties those flexural rigidity allows creation of different volume conformations. The geometric configuration of those configurations including the folds, scrolls and other secondary structures is determined are determined by the balance of energy gain due to increase of the number of atoms involved in van der Waals interactions with the energy loss due to graphene bending. A simple model of a molecular chain on the plane, which allows the description of folded and scrolled packings of graphene nanoribbons, has been proposed. Earlier possible steady states of graphene nanoribbons have been obtained using this model and compares to full atomic modelling. In this paper the simulation of high-frequency nonlinear vibrations of scrolled carbon nanoribbons packages was performed. It was revealed that the first three low-frequency natural scroll vibrations ("twisting-untwisting" and "transverse compression" modes) are stable only if their energy does not exceed 0.1 eV, and the interaction of these modes starts to occur at higher energy. The excitation of one mode leads to the excitation of the two others.
Accepted: 30 March 2016
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