Abstract
In this paper, a multiscale modeling approach has been developed to simulate the intergranular crack propagation in textured polycrystalline materials. Embedded Atom Method (EAM) and Molecular Dynamics (MD) simulations were carried out to determine the energy and fracture strength of different types of grain boundaries in Ni3Al. Subsequently, the atomistic model has been integrated with the microstructure based model of crack propagation using the Voronoi-Markov Chain-Monte Carlo approach. The model has been utilized to evaluate the crack length for various scenarios and reasonable results are obtained.
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