Is the failure of large-area polycrystalline graphene notch sensitive or insensitive?

Abstract

We perform molecular dynamics simulations on large-area polycrystalline graphene containing a pre-existing circular notch with focus on the notch effect on tensile strength and failure pattern. Our results show that the failure of polycrystalline graphene becomes notch-sensitive if there is an overlapping of stress concentration zones induced by the notch and grain boundaries (GBs); otherwise, the failure becomes notch-insensitive. More specifically, when the notch diameter is larger than the average grain size, the failure is generally notch-sensitive. However, if the notch size is smaller than the grain size, whether the failure is notch-sensitive or not depends on the notch location. These observations can be well explained by following attributes: (1) Both GBs and circular notch can create stress concentration; (2) The stress concentration created by the notch is generally weaker than that by GBs; and (3) The strength of GBs is weaker than that of the grain interior. Our work provides useful guideline for designing polycrystalline graphene for structure and device applications.