| Classical molecular dynamics (MD) with the adaptive intermolecular reactive bond order (AIREBO) potential is used to examine the effect of 5-8-5 defects (divacancies associated with "pentagon-octagon-pentagon" configurations of carbon atoms) on tensile strength of grapheme sheets containing such defects. These computer simulations have shown multistage character of fracture processes occurring in graphene sheets containing 5-8-5 defects. In particular, the final stage of fracture is realized through formation of carbon monatomic chains that join separate parts of graphene sheets under mechanical load. Also, it is revealed that the tensile strength significantly degrades (by tens of percent) due to the presence of 5-8-5 defects in graphene. |
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