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Understanding the m...
Understanding the magnetism-ductility trade-off in FeCoMn alloys: The role of the BCC-B2 transition and Mn occupancies
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- Zhang, Jing (författare)
- Key Laboratory of MEMS of Ministry of Education, School of Integrated Circuits, Southeast University, Nanjing 210096, China
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- Tang, Jiawei (författare)
- School of Electronic Science and Engineering, 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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- Zhu, Tingwei (författare)
- Key Laboratory of MEMS of Ministry of Education, School of Integrated Circuits, Southeast University, Nanjing 210096, China
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- He, Junjing (författare)
- International Center for Predictive Fundamental Materials Theory, College of Materials and Environmental Engineering, Hangzhou Dianzi University, Hangzhou, 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 Ltd, 2024
- 2024
- Engelska.
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Ingår i: Materials & design. - : Elsevier Ltd. - 0264-1275 .- 1873-4197. ; 243
- Relaterad länk:
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https://doi.org/10.1...
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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 magnetism-ductility contradictory relationship presents a significant challenge in the development of magnetic alloys. The impact of the BCC-B2 transition, along with Mn site occupancy, on magnetism and ductility have been investigated by using first-principles calculations. The calculations involved the evaluation of magnetic moments, density of states (DOS), phase stability and ductility of FeCoMn alloys. The results of binary alloys confirm the enhancement of magnetism due to the BCC-B2 transition. Furthermore, the ordering phase transition can strengthen the magnetic interaction between Fe and Mn atoms, which is associated with minimal variations in the density of states of Fe and Mn in the B2 structure. Regarding the ductility of FeCoMn alloys, two factors contribute to increased brittleness. Firstly, the increased covalent component in bonding, as a result of the strong hybridization between different elements, leads to an increased brittleness. Secondly, the increased Peierls stress provides a larger resistance to dislocation motion, which also contributes to the increased brittleness. Finally, the Pearson correlation coefficients and data analysis indicate that VEC, spin polarizations and Mn content provide major contributions to the contradictory relationship between magnetism and ductility.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
Nyckelord
- BCC-B2 ordering transition
- Ductility and brittleness
- FeCoMn alloys
- Magnetic moments
- Mn site occupancy
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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