Lattice orientation and crack size effect on the mechanical properties of Graphene

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

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16 Citations (Scopus)

Abstract

The effect of lattice orientation and crack length on the mechanical properties of Graphene are studied based on molecular dynamics simulations. Bond breaking and crack initiation in an initial edge crack model with 13 different crack lengths, in 10 different lattice orientations of Graphene are examined. In all the lattice orientations, three recurrent fracture patterns are reported. The influence of the lattice orientation and crack length on yield stress and yield strain of Graphene is also investigated. The arm-chair fracture pattern is observed to possess the lowest yield properties. A sudden decrease in yield stress and yield strain can be noticed for crack sizes <10 nm. However, for larger crack sizes, a linear decrease in yield stress is observed, whereas a constant yield strain of ≈ 0.05 is noticed. Therefore, the yield strain of ≈ 0.05 can be considered as a critical strain value below which Graphene does not show failure. This information can be utilized as a lower bound for the design of nano-devices for various strain sensor applications. Furthermore, the yield data will be useful while developing the Graphene coating on Silicon surface in order to enhance the mechanical and electrical characteristics of solar cells and to arrest the growth of micro-cracks in Silicon cells.

Original languageEnglish
Pages (from-to)81-98
Number of pages18
JournalInternational Journal of Fracture
Volume203
Issue number1-2
DOIs
Publication statusPublished - 2017 Jan 1

Keywords

  • Bond elongation and rotation
  • Graphene fracture
  • Lattice orientation and initial crack size
  • Molecular dynamics

ASJC Scopus subject areas

  • Computational Mechanics
  • Modelling and Simulation
  • Mechanics of Materials

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  • Cite this

    Budarapu, P. R., Javvaji, B., Sutrakar, V. K., Mahapatra, D. R., Paggi, M., Zi, G., & Rabczuk, T. (2017). Lattice orientation and crack size effect on the mechanical properties of Graphene. International Journal of Fracture, 203(1-2), 81-98. https://doi.org/10.1007/s10704-016-0115-9