Cracking direction in graphene under mixed mode loading

Crack branching in graphene under complex stresses is investigated by molecular dynamics simulations and boundary-layer models. Using the maximum energy release rate (MERR) criterion, an analogy of Wulff curve is plotted considering the anisotropic fracture toughness of hexagonal graphene, which shows the direction of crack kinking (local bump on the curve) is consistent with that of the weak fracture toughness (along zigzag edge). The angle of crack kinking prefers 0 degrees /30 degrees /60 degrees, rather than the angle predicted by maximum circumferential stress criterion. The T-stress along crack front, obtained by the over-deterministic method, can indicate the possibility of kink by its transformation between positive and negative, especially for zigzag cracks. This study incorporates Wulff-like curve and MERR criterion to provide an accurate prediction of nanocrack paths in graphene.

Automated summary

Crack branching in graphene under complex stresses is investigated using molecular dynamics simulations and boundary-layer models. By considering the anisotropic fracture toughness of hexagonal graphene, a Wulff-like curve is plotted based on the maximum energy release rate (MERR) criterion, showing the direction of crack kinking is consistent with that of the weak fracture toughness along the zigzag edge. The angle of crack kinking prefers 0 degrees /30 degrees /60 degrees, contrary to the angle predicted by the maximum circumferential stress criterion. The T-stress along the crack front, obtained through the over-deterministic method, can indicate the possibility of kink formation, especially for zigzag cracks. This study incorporates the Wulff-like curve and MERR criterion to accurately predict nanocrack paths in graphene.