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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...
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| Vydáno v: | Materials (Basel) |
|---|---|
| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
MDPI
2019
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6926628/ https://ncbi.nlm.nih.gov/pubmed/31795289 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma12233954 |
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