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A method to computationally screen for tunable properties of crystalline alloys
Conventionally, high-throughput computational materials searches start from an input set of bulk compounds extracted from material databases, but, in contrast, many real functional materials are heavily engineered mixtures of compounds rather than single bulk compounds. We present a framework and op...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10201207/ https://www.ncbi.nlm.nih.gov/pubmed/37223274 http://dx.doi.org/10.1016/j.patter.2023.100723 |