Atomic insights into the ductile–brittle competition of cracks under dissolution

Abstract

Environmental effects can determine the ductile–brittle behavior of cracks at the atomic scale, but the underlying processes remain poorly understood and contentious. Here, we report the competition between ductile and brittle behaviors at crack tips induced by the prevalent environmental effect of dissolution. Our findings reveal that this competition is driven by two fundamental deformation mechanisms related to dissolution: crack blunting and defect accumulation. Through separate evaluations of dissolution-induced cleavage and dissolution-induced plasticity, we demonstrate that these deformation mechanisms not only dominate brittle fracture toughness but also lead to dislocation slip. We have developed a theoretical model to predict the ductile and brittle behavior of cracks under dissolution, and the theory aligns well with the simulation results and remains consistent with existing experimental trends. This work will broaden the microscopic understanding of ductile and brittle fracture of cracks in complex environments.