Learning grain boundary segregation energy spectra in polycrystals
Predicting segregation energies of alloy systems can be challenging even for a single grain boundary. Here the authors propose a machine-learning framework, which maps the local environments on a distribution of segregation energies, to predict segregation energies of alloy elements in polycrystalli...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2020-12-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-020-20083-6 |