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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Materias: | |
| 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 |