Hello,
I am trying to locate octahedral and tetrahedral positions in an atomic configuration (bicrystal/polycrystal - interface). I wonder if there is any tool available to locate these sites at a grain boundary? Please may I know your thoughts?
Thank you in advance.
Praveen
There are 8 tetrahedral holes and 4 octahedral holes in a fcc unit cell.
Dear Praveenkumar,
thank you for asking this very interesting technical question on RG. I hope that the attached relevant articles will help you in your analysis.
Good luck with your work!
Hello Dr. Frank T. Edelmann ,
Thank you very much for reply. The lecture notes and articles are very interesting. Possibly I can use them to build GB configuration files with required interstitial impurity atoms. If there is any software that already does it, will also work.