Dataset Open Access

Dataset - Learning Grain Boundary Segregation Energy Spectra in Polycrystals

Wagih, Malik; Larsen, Peter M.; Schuh, Christopher A.

Accompanying Dataset for the article "Learning Grain Boundary Segregation Energy Spectra in Polycrystals". The dataset contains 1) an example Jupyter Notebook with all necessary code to train and use the machine learning models outlined in the paper, and 2) a database of segregation spectra of 250+ binary alloys, in the form of LAMMPS text dump files of solvent polycrystals with predicted grain boundary solute segregation energies. Please refer to the README.pdf for detailed file description.

Files (4.0 GB)
Name Size
learning_segregation_energies.tar.bz2
md5:dcad1225446df20c841b8a32359c03b1
4.0 GB Download
967
3,021
views
downloads
All versions This version
Views 967967
Downloads 3,0213,021
Data volume 12.1 TB12.1 TB
Unique views 857857
Unique downloads 546546

Share

Cite as