Simulation of ripples in single layer graphene sheets and study of their vibrational and elastic properties

K. Iyakutti, V. J. Surya, K. Emelda, Y. Kawazoe

Research output: Contribution to journalArticlepeer-review

21 Citations (Scopus)

Abstract

We present the results of our theoretical investigation on ripples and elastic properties of single layer graphene sheets in both membrane and ribbon conformations. The formation of ripples in both the systems is simulated and analyzed using two-dimensional vibrating membrane model. We have chosen both square graphene membrane, armchair and zigzag graphene nanoribbons with different sizes. The amplitude of vibrational modes of each system is determined using this model. We observed that the vertical displacement (amplitude of the ripples) reaches a maximum height of about 0.99 nm from the mean plane in both conformations whose lengths are integral multiple of the basic armchair/zigzag units. We have studied the dynamical elastic properties through the calculation of parameters like normalized stiffness, speed parameter, Cauchy number and critical velocity with reference to a new aspect ratio of graphene sheets. We have made correlations between the calculated parameters with the formation of ripples and found that the out-of-plane deformations are spontaneous and significant in square conformation of graphene than the graphene nanoribbons. The vibrational modes obtained for GNRs and membranes are acoustic modes. The results of our study will be very much useful in selecting graphene sheets with suitable conformation and chirality for designing nanoscale devices.

Original languageEnglish
Pages (from-to)96-102
Number of pages7
JournalComputational Materials Science
Volume51
Issue number1
DOIs
Publication statusPublished - 2012 Jan

Keywords

  • Acoustic modes
  • Chirality
  • Graphene
  • Graphene nanoribbon
  • Ripple height
  • Vibrating membrane model

ASJC Scopus subject areas

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

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