Abstract
A new multi-scale model of brittle fracture growth in an Ag plate with macroscopic dimensions is proposed in which the crack propagation is identified with the stochastic drift-diffusion motion of the crack-tip atom through the material. The model couples molecular dynamics simulations, based on many-body interatomic potentials, with the continuum-based theories of fracture mechanics. The Ito stochastic differential equation is used to advance the tip position on a macroscopic scale before each nano-scale simulation is performed. Well-known crack characteristics, such as the roughening transitions of the crack surfaces, as well as the macroscopic crack trajectories are obtained.
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Rafii-Tabar, H., Hua, L. & Cross, M. A multi-scale numerical modelling of crack propagation in a 2D metallic plate. Journal of Computer-Aided Materials Design 4, 165–173 (1998). https://doi.org/10.1023/A:1008674520573
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DOI: https://doi.org/10.1023/A:1008674520573