Development of a Robust Coupled Atomistic-continiuum Model for Crack Progagation

Abstract eng:
A robust finite temperature force-based atomistic-continuum model is developed incorporated with non-linearity of atomic potential considered. The model is implemented using LAMMPS and parallel FEM codes making it scalable for 3D problems to investigate the crack propagation in crystalline material focused on the critical stress state and energy release rate. Furthermore, we compare the results of coupled model with pure MD simulation to investigate the size dependence and demonstrate the necessity of using coupled model.

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