The code for data extraction, population analysis, and the calculation of the average EN difference for an n-component alloy is included in the file HEA_Population_EN.ipynb. As an example, the code demonstrates these processes specifically for the hydrogen (H) atom. To perform these analyses for other elements, simply replace 'H' with the desired element's name.
-
Notifications
You must be signed in to change notification settings - Fork 0
oshiya-r-a/EN-Population
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
About
Role of Electronegativity on the Elemental Diversity in High Entropy Alloys
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published