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Prediction of Novel Ultrahard Phases in the B–C–N System from First Principles: Progress and Problems
The modern synthesis of superhard and, especially, ultrahard phases is a fascinating area of research that could lead to the design of new, industrially important materials. Computational methods built within the well-established quantum mechanics framework of density functional theory (DFT) play an...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9861854/ https://www.ncbi.nlm.nih.gov/pubmed/36676623 http://dx.doi.org/10.3390/ma16020886 |