Crack propagation in graphene

P. R. Budarapu, B. Javvaji, V. K. Sutrakar, D. Roy Mahapatra, Goangseup Zi, Timon Rabczuk

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Abstract

The crack initiation and growth mechanisms in an 2D graphene lattice structure are studied based on molecular dynamics simulations. Crack growth in an initial edge crack model in the arm-chair and the zig-zag lattice configurations of graphene are considered. Influence of the time steps on the post yielding behaviour of graphene is studied. Based on the results, a time step of 0.1 fs is recommended for consistent and accurate simulation of crack propagation. Effect of temperature on the crack propagation in graphene is also studied, considering adiabatic and isothermal conditions. Total energy and stress fields are analyzed. A systematic study of the bond stretching and bond reorientation phenomena is performed, which shows that the crack propagates after significant bond elongation and rotation in graphene. Variation of the crack speed with the change in crack length is estimated.

Original languageEnglish
Article number064307
JournalJournal of Applied Physics
Volume118
Issue number6
DOIs
Publication statusPublished - 2015 Aug 14

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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  • Cite this

    Budarapu, P. R., Javvaji, B., Sutrakar, V. K., Roy Mahapatra, D., Zi, G., & Rabczuk, T. (2015). Crack propagation in graphene. Journal of Applied Physics, 118(6), [064307]. https://doi.org/10.1063/1.4928316