A Multi-Scale Modeling Approach to Simulate Intergranular Crack Propagation in Textured Polycrystalline Materials
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.
Asim Tewari, Satyam Suwas, Dinesh Srivastava, Indradev Samajdar and Arunansu Haldar
M. A. Arafin et al., "A Multi-Scale Modeling Approach to Simulate Intergranular Crack Propagation in Textured Polycrystalline Materials", Materials Science Forum, Vols. 702-703, pp. 932-938, 2012