Failure criterion for graphene in biaxial loading-a molecular dynamics study

H Yazdani and K Hatami, MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 23, 065004 (2015).

DOI: 10.1088/0965-0393/23/6/065004

Molecular dynamics simulations are carried out in order to develop a failure criterion for infinite/bulk graphene in biaxial tension. Stresses along the principal edge configurations of graphene (i.e. armchair and zigzag directions) are normalized to the corresponding uniaxial ultimate strength values. The combinations of normalized stresses resulting in the failure of graphene are used to define failure envelopes (limiting stress ratio surfaces). Results indicate that a bilinear failure envelope can be used to represent the tensile strength of graphene in biaxial loading at different temperatures with reasonable accuracy. A circular failure envelope is also introduced for practical applications. Both failure envelopes define temperature-independent upper limits for the feasible combinations of normalized stresses for a graphene sheet in biaxial loading. Predicted failure modes of graphene under biaxial loading are also shown and discussed.

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