Updated 4 Mar 2022
Drop-in replacement for Bulatov, Reed, Kumar (BRK) function
GB5DOF.m. We provide a higher fidelity and more versatile, dubbed
i stands for "improved". Requires
mdl.mat to be accessible on the path, or you can generate
mdl.mat yourself on-the-fly. See
iGB5DOF_example.m for details and usage. Note that this is a port of the
interp5DOF package which provides a great deal more flexibility in using custom datasets, adjusting parameters, and using various machine learning models. This one is hardcoded to the Ni Olmsted GBs, similar to
- Baird, S. G.; Homer, E. R.; Fullwood, D. T.; Johnson, O. K. Five Degree-of-Freedom Property Interpolation of Arbitrary Grain Boundaries via Voronoi Fundamental Zone Framework. Computational Materials Science 2021, 200, 110756. https://doi.org/10.1016/j.commatsci.2021.110756.
- Chesser, I., Francis, T., De Graef, M., & Holm, E. A. (2020). Learning the Grain Boundary Manifold: Tools for Visualizing and Fitting Grain Boundary Properties. Acta Materialia. https://doi.org/10.2139/ssrn.3460311
- Francis, T., Chesser, I., Singh, S., Holm, E. A., & De Graef, M. (2019). A geodesic octonion metric for grain boundaries. Acta Materialia, 166, 135–147. https://doi.org/10.1016/j.actamat.2018.12.034
Sterling Baird (2022). iGB5DOF (https://github.com/sgbaird-5DOF/iGB5DOF/releases/tag/0.1.0), GitHub. Retrieved .
Baird, Sterling G., et al. “Five Degree-of-Freedom Property Interpolation of Arbitrary Grain Boundaries via Voronoi Fundamental Zone Framework.” Computational Materials Science, vol. 200, Elsevier BV, Dec. 2021, p. 110756, doi:10.1016/j.commatsci.2021.110756.
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