The cluster decomposition of the configurational energy of multicomponent alloys
Abstract The cluster expansion method (CEM) is a widely used lattice-based technique in the study of multicomponent alloys. Despite its prevalent use, a clear understanding of expansion terms is lacking. We present a modern mathematical formalism of the CEM and introduce the cluster decomposition—a...
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| Главные авторы: | , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Nature Portfolio
2024-07-01
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| Серии: | npj Computational Materials |
| Online-ссылка: | https://doi.org/10.1038/s41524-024-01338-y |
| Метки: |
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