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Atomic stiffness for bulk modulus prediction and high-throughput screening of ultraincompressible crystals
Determining bulk moduli is central to high-throughput screening of ultraincompressible materials. However, existing approaches are either too inaccurate or too expensive for general applications, or they are limited to narrow chemistries. Here we define a microscopic quantity to measure the atomic s...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10352355/ https://www.ncbi.nlm.nih.gov/pubmed/37460465 http://dx.doi.org/10.1038/s41467-023-39826-2 |