A Quantum–Mechanical Study of Clean and Cr–Segregated Antiphase Boundaries in Fe(3)Al

We present a quantum-mechanical study of thermodynamic, structural, elastic, and magnetic properties of selected antiphase boundaries (APBs) in Fe [Formula: see text] Al with the D0 [Formula: see text] crystal structure with and without Cr atoms. The computed APBs are sharp (not thermal), and they h...

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Detalles Bibliográficos
Autores principales: Friák, Martin, Všianská, Monika, Šob, Mojmír
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6926628/
https://www.ncbi.nlm.nih.gov/pubmed/31795289
http://dx.doi.org/10.3390/ma12233954

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6926628/
https://www.ncbi.nlm.nih.gov/pubmed/31795289
http://dx.doi.org/10.3390/ma12233954

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