Rev.Adv.Mater.Sci. (RAMS)
No 1/2, Vol. 43, 2015, pages 89-93

LOCAL CRYSTAL-TO-GLASS AND GLASS-TO-CRYSTAL TRANSFORMATIONS
IN GRAPHENE UNDER TENSILE DEFORMATION

A.S. Kochnev and I. A. Ovid'ko

Abstract

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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