First-Principles Calculations of Short-Range Order due to Magnetic Frustration in High and Medium Entropy Alloys
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- MIZUNO Masataka
- Graduate School of Engineering, Osaka University
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- ARAKI Hideki
- Graduate School of Engineering, Osaka University
Bibliographic Information
- Other Title
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- 磁気的フラストレーションに起因する高・中エントロピー合金における短範囲規則の第一原理計算
Abstract
<p>In Cr containing high and medium entropy alloys, the short-range order(SRO)is expected to decrease in the magnetic frustration of parallel pairs. The SRO in CrMnFeCoNi and CoCoNi alloys was investigated using first principles-based Monte Carlo simulations. In the initial stage of the SRO, the L12-type ordering occurred in CrMnFeCoNi and CrCoNi alloys. After the initial stage in CrMnFeCoNi, the Cr and Mn-rich layers and Co and Ni-rich layers were formed along one of <100> directions, which led to the the L10-type ordering. In CrCoNi, the MoPt2 type ordering evolved after the initial stage of the SRO.</p>
Journal
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- Nihon Kessho Gakkaishi
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Nihon Kessho Gakkaishi 65 (3), 183-187, 2023-08-31
The Crystallographic Society of Japan
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Keywords
Details 詳細情報について
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- CRID
- 1390297372144948992
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- ISSN
- 18845576
- 03694585
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- Text Lang
- ja
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- Data Source
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- JaLC
- Crossref
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- Abstract License Flag
- Disallowed