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Unraveling the role...
Unraveling the role of the BCC-B2 transition and V occupancies in the contradictory magnetism-ductility relationship of FeCoV alloys
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- Zhang, Jing (författare)
- KTH,Egenskaper,Key Laboratory of MEMS of Ministry of Education, School of Integrated Circuits, Southeast University, Nanjing, 210096, China
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- Zhu, Tingwei (författare)
- Key Laboratory of MEMS of Ministry of Education, School of Integrated Circuits, Southeast University, Nanjing, 210096, China
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- Sun, Xu (författare)
- Division of Functional Materials, Central Iron&Steel Research Institute, Beijing 100081, China; Material Digital R&D Center, China Iron and Steel Research Institute Group, Beijing 100081, China
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- Korzhavyi, Pavel A., 1966- (författare)
- KTH,Egenskaper
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- Tang, Jiawei (författare)
- School of Electronic Science and Engineering, Southeast University, Nanjing, 210096, China
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- He, Junjing (författare)
- KTH,Materialvetenskap,International Center for Predictive Fundamental Materials Theory, College of Materials and Environmental Engineering, Hangzhou Dianzi University, Hangzhou, China
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- Sun, Litao (författare)
- Key Laboratory of MEMS of Ministry of Education, School of Integrated Circuits, Southeast University, Nanjing, 210096, China
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- Sun, Weiwei (författare)
- Key Laboratory of Quantum Materials and Devices of Ministry of Education, School of Physics, Southeast University, Nanjing 211189, China
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- Yang, Li (författare)
- Material Digital R&D Center, China Iron and Steel Research Institute Group, Beijing 100081, China
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(creator_code:org_t)
- Elsevier BV, 2024
- 2024
- Engelska.
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Ingår i: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388 .- 1873-4669. ; 997
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- The contradictory relationship between magnetism and ductility restricts further applications of FeCoV alloys in high-performance electrical machines. The role of the BCC-B2 transition, accompanied by vanadium (V) site occupancies, in magnetic moments and ductility has been explored using first-principles calculations. The variations in magnetism and ductility of FeCoV alloys are attributed to the coupling of the BCC-B2 transition and V occupancies. When V replaces Fe atoms in the equiatomic B2-FeCo alloy, the superior magnetism observed in B2-Fe50-cCo50Vc alloys is a consequence of the enhanced local magnetic moment of Fe and the ferrimagnetic-ferromagnetic transition in the magnetic state. Moreover, due to the preferential V occupancy in the B2 phase, the B2-Fe46Co50V4 alloy exhibits comparable ductility to the BCC-Fe50Co46V4 alloy. The results indicate that the increased brittleness in the B2 phase arises from the raised Peierls stress and the enhanced covalent component in interatomic bonding, which is caused by the strong hybridization between Fe and Co atoms. Pearson correlation analysis illustrates that valence electron concentration (VEC) and V content are significant factors in the contradictory relationship between magnetization and ductility. The theoretical results demonstrate that tuning the V content and atomic occupancies is helpful to achieve a trade-off between magnetization and ductility in B2-FeCoV alloys.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- BCC-B2 transition
- Ductility
- FeCoV alloy
- Magnetic moment
- V atomic occupancies
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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