Email this article Phase Diagram of Fе–Al Alloys: A Study from First Principles
- Authors: Matyunina M.V.1, Sokolovskiy V.V.1,2, Zagrebin M.A.1,2, Pavlukhina O.O.1, Buchelnikov V.D.1,2
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Affiliations:
- Chelyabinsk State University
- National University of Science and Technology (MISiS)
- Issue: Vol 83, No 7 (2019)
- Pages: 844-846
- Section: Article
- URL: https://journals.rcsi.science/1062-8738/article/view/187452
- DOI: https://doi.org/10.3103/S1062873819070268
- ID: 187452
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Abstract
The structural and magnetic properties of the crystalline A2, D03, and B2 phases of Fe100−xAlx alloys (0 ≤ x ≤ 43.75 at %) are studied from first principles. A structural phase diagram of Fe100 − xAlx alloys is plotted. It is shown that the D03 phase is favorable in the x = 3.125–40.625 at % range of concentrations, which is qualitatively consistent with the experimental phase diagram [1].
About the authors
M. V. Matyunina
Chelyabinsk State University
Author for correspondence.
Email: matunins.fam@mail.ru
Russian Federation, Chelyabinsk, 454001
V. V. Sokolovskiy
Chelyabinsk State University; National University of Science and Technology (MISiS)
Email: matunins.fam@mail.ru
Russian Federation, Chelyabinsk, 454001; Moscow, 119049
M. A. Zagrebin
Chelyabinsk State University; National University of Science and Technology (MISiS)
Email: matunins.fam@mail.ru
Russian Federation, Chelyabinsk, 454001; Moscow, 119049
O. O. Pavlukhina
Chelyabinsk State University
Email: matunins.fam@mail.ru
Russian Federation, Chelyabinsk, 454001
V. D. Buchelnikov
Chelyabinsk State University; National University of Science and Technology (MISiS)
Email: matunins.fam@mail.ru
Russian Federation, Chelyabinsk, 454001; Moscow, 119049
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