| Deformation processes and structural transformations in graphene containing 5-8-5 defects - divacancies associated with "pentagon-octagon-pentagon" configurations of carbon atoms - are simulated by molecular dynamics method exploiting the adaptive intermolecular reactive bond order (AIREBO) potential. These computer simulations have shown that both crystal-to-glass and reverse glass-to-crystal transformations occur in a nanoscale region (at a pre-existent 5-8-5 defect) of graphene under tensile deformation at temperature of 2300K. |
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