Manufacturing processes produce polycrystalline graphene with applications such as graphene-reinforced composites. The group of Prof. Jeffrey Kysar at Columbia University combines experiments and multiscale modeling to investigate the fracture of polycrystalline graphene.
As part of this project, we explore in [Guin et al., 2016] the strength of graphene grain boundaries by means of atomic-scale simulations.Â
Subsequently, a continuum model for membranes of polycrystalline graphene is built [Di Marco et al., 2018] by including the atomistically derived mechanical properties of grain boundaries in a cohesive zone model.
L Guin, JL Raphanel, JW Kysar, Atomistically derived cohesive zone model of intergranular fracture in polycrystalline graphene, Journal of Applied Physics (2016). [PDF file, publisher website]
CS DiMarco, T Robillos, J Hone, JW Kysar, Mechanisms and criteria for failure in polycrystalline graphene, International Joural of Solid and Structures (2018). [publisher website]