Kinetic Monte Carlo simulation of the effective diffusivity in grain boundary networks

@inproceedings{Deng2014KineticMC,
  title={Kinetic Monte Carlo simulation of the effective diffusivity in grain boundary networks},
  author={Jie Deng and Dane Morgan and Izabela Szlufarska},
  year={2014}
}
Abstract The effective diffusivity in grain boundary networks of polycrystalline materials is evaluated using a kinetic Monte Carlo model. This model connects the atomic hopping processes with the coarse-grained diffusion so that the macroscopic simulations can be conducted without the need to resolve atomic details. The effects of various properties of the grain boundary network on the effective diffusivity have been examined, including grain size, two- vs. three-dimensional networks, and… CONTINUE READING

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Percolation thresholds on two-dimensional Voronoi networks and Delaunay triangulations.