A Multi-Scale Modeling Approach to Simulate Intergranular Crack Propagation in Textured Polycrystalline Materials

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.

• Periodical: Materials Science Forum (Volumes 702-703)
• Pages: 932-938
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.702-703.932
• Online since: December 2011
• Authors: Muhammad A. Arafin, Jian Lu, Jerzy Szpunar
• Keywords: Embedded Atom Method (EAM), Markov Chain (MC), Molecular Dynamic (MD), Monte-Carlo Simulation, Multiscale Modeling, Voronoi

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