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...
| Principais autores: | , |
|---|---|
| Formato: | Artigo |
| Idioma: | English |
| Publicado em: |
Nature Portfolio
2024-07-01
|
| coleção: | npj Computational Materials |
| Acesso em linha: | https://doi.org/10.1038/s41524-024-01338-y |