iGB5DOF

version 0.1.0 (5.66 MB) by Sterling Baird
Drop-in replacement for Bulatov, Reed, Kumar (BRK) function, GB5DOF.m. We provide a higher fidelity and more versatile iGB5DOF.m where "i" s

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Updated Fri, 04 Mar 2022 20:55:19 +0000

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iGB5DOF

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Drop-in replacement for Bulatov, Reed, Kumar (BRK) function GB5DOF.m. We provide a higher fidelity and more versatile, dubbed iGB5DOF.m where 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 GB5DOF.m.

Citing

  1. 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.
  2. 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
  3. 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

Cite As

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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MATLAB Release Compatibility
Created with R2021a
Compatible with R2019b and later releases
Platform Compatibility
Windows macOS Linux

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To view or report issues in this GitHub add-on, visit the GitHub Repository.
To view or report issues in this GitHub add-on, visit the GitHub Repository.