search

Yufeng-shen / TJ2GBE

Reconstruct grain boundary energy from triple junction geometries
BSD 3-Clause "New" or "Revised" License
1 stars 2 forks source link

interp5DOF paper is published, compatible with TJ2GBE #11

Open sgbaird opened 2 years ago

sgbaird commented 2 years ago

Thanks for your help with earlier issues. Thought I would mention that some complementary work is now published (disclaimer: our work):

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.

with a separate preprint soon to be submitted:

Baird, S. G.; Homer, E. R.; Fullwood, D. T.; Johnson, O. K. Towards a Quantitative Cartography of the Grain Boundary Energy Landscape: Paths and Correlations; preprint; Chemistry, 2021. https://doi.org/10.26434/chemrxiv-2021-ds0ml.

The tool corresponding to these papers is available at https://github.com/sgbaird-5DOF/interp, and I wrote a parser specific to the outputs from TJ2GBE.

Yufeng-shen commented 1 year ago

Hi Dr. Baird, sorry for the late reply, can't believe I missed your comments for a whole year :) Thanks for your updates, and congratulations to your publication!

sgbaird commented 1 year ago

No problem, thanks for your reply! I enjoyed using TJ2GBE back then :)