11.2.1. Effective Grain Boundary Diffusivity Calculator

Author: Jie Deng

Calculates the effective diffusivity in a grain boundary network with two types of randomly distributed grain boundaries.

Version 1.3 - published on 21 Feb 2014

Look for a new version in late 2014

  • Source code is in MAST/utility/gbdiff

This tool calculates the effective diffusivity in a grain boundary network represented by a three-dimensional Voronoi diagram. Two types of grain boundaries with different diffusivities are randomly distributed in the domain. The effective diffusivity is calculated using the mean squared displacement method, where periodic boundary conditions are applied in all directions. Users are free to choose the fraction of each grain boundary type as well as the activation energy and pre-factor for each grain boundary diffusivity.

11.2.2. Cite this work

Researchers should cite this work as follows:

Jie Deng (2014), "Effective Grain Boundary Diffusivity Calculator," https://materialshub.org/resources/diffcalc.

@misc { 30,
    title = {Effective Grain Boundary Diffusivity Calculator},
    month = {Jan},
    url = {https://materialshub.org/resources/30},
    year = {2014},
    author = {Deng , Jie}
}

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11.3.1. Particle Trajectory Diffusion Analysis