Effects of Doped Elements (Si, Cr, W and Nb) on the Stability, Mechanical Properties and Electronic Structures of MoAlB Phase by the First-Principles Calculation

First-principles calculations based on density functional theory (DFT) have been performed to explore the effects of Si, Cr, W, and Nb elements on the stability, mechanical properties, and electronic structures of MoAlB ternary boride. The five crystals, with the formulas of Mo(4)Al(4)B(4), Mo(4)Al(...

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Detalles Bibliográficos
Autores principales: Jian, Yongxin, Huang, Zhifu, Wang, Yu, Xing, Jiandong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7579081/
https://www.ncbi.nlm.nih.gov/pubmed/32977451
http://dx.doi.org/10.3390/ma13194221

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7579081/
https://www.ncbi.nlm.nih.gov/pubmed/32977451
http://dx.doi.org/10.3390/ma13194221

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