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...

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Detalles Bibliográficos
Autores principales: Jin, Ruihua, Yuan, Xiaoang, Gao, Enlai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
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

Internet

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

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