Users-
I am wondering if anyone in the community has developed a way to perform a quantitative structural analysis on multiphase metal oxides. I am working on an alumina system that has several possible transition phases. I would like to investigate phase transitions, but I need a way to identify what phases are present locally during dynamics first. Methods like common neighbor analysis and centrosymmetry are not working to identify the subtle differences between phases. I am contemplating writing a script to calculate local XRD as a post processing procedure. Before I set my way on that path I thought I’d ask around for other suggestions or if this has already been implemented. I appreciate any suggestions.
Thanks,
Shawn P Coleman
University of Arkansas
Mechanical Engineering