Molecular Dynamics (MD) simulations have been carried out to understand the mechanics of crack
interaction with Grain Boundary (GB) under different scenarios. Specifically, different stages of a growing
crack, like crack growth initiation and arrest at GB have been studied. The study was done by evaluating
the Stress Intensity Factor (SIF) using near-tip stress field at each of these stages i.e. crack growth initiation
and arrest at GB. To perform this simulation, an understanding of rotation transformation has been applied
to form an aluminum bi-crystal.
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