Spontaneous twinning as an accommodation mechanism in monolayer graphene

We present numerical evidence that twinning operates as an accommodation and relaxation mechanism in graphene. We show that twins may arise spontaneously in graphene layers containing arrays of dislocations and that twinning results in a significant reduction in energy. We verify that the twinning relations are satisfied across the interfaces, which are thereby identified as bona fides twin boundaries. We additionally verify that the twin boundaries are thermally stable up to high temperatures. [Display omitted] •Numerical evidence twinning acts as accommodation/relaxation mechanisms in graphene.•Twins may arise spontaneously in graphene layers containing arrays of dislocations.•Twin boundaries are thermally stable up to high temperatures.