Magnetic ordering phase transition and abnormal brittleness in dilute Fe–Mn solid solution
Experiments showed an antiferromagnetic (AFM)-to-ferromagnetic (FM) phase transition in the Fe–Mn solid solution as the Mn content increases to about 2 at.%. Surprisingly, just approximately from this concentration to 4.8 at.% Mn, Mn-bearing steel becomes very brittle, completely denying its metalli...
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Elsevier
2025-05-01
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| Series: | Journal of Materials Research and Technology |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785425009573 |
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| author | Wei Liu Yunfeng Liang Xiangyan Li Yichun Xu Yange Zhang Wenliang Li Q.F. Fang Caetano R. Miranda Chuan-Lu Yang C.S. Liu Xuebang Wu |
| author_facet | Wei Liu Yunfeng Liang Xiangyan Li Yichun Xu Yange Zhang Wenliang Li Q.F. Fang Caetano R. Miranda Chuan-Lu Yang C.S. Liu Xuebang Wu |
| author_sort | Wei Liu |
| collection | DOAJ |
| description | Experiments showed an antiferromagnetic (AFM)-to-ferromagnetic (FM) phase transition in the Fe–Mn solid solution as the Mn content increases to about 2 at.%. Surprisingly, just approximately from this concentration to 4.8 at.% Mn, Mn-bearing steel becomes very brittle, completely denying its metallic nature. However, mechanisms for the magnetic ordering phase transition and the extraordinary brittleness remain unclear. Based on magnetism-constrained/unconstrained calculations and ab initio molecular dynamics simulations within density functional theory, we show that while the AFM phase prevails at low Mn contents, the FM phase becomes dominant at 1.85 at.% Mn under elevated temperatures and pressures. We show that the phase transition involves electron transfer among 3d states of Mn, revealing a clear difference in the mechanical properties. Furthermore, our results suggest that the AFM−FM phase transition with increasing Mn concentration is correlated to the thermal effect. With this in mind, a concentration and temperature phase diagram at the low-Mn content regime was constructed. It is noted that the abnormal brittleness might be related to the stress variations resulting from the local Fe–Mn magnetic coupling phase changes within the grains. |
| format | Article |
| id | doaj-art-8a9acd3f6e074e1ba642333c3d4c976a |
| institution | OA Journals |
| issn | 2238-7854 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Elsevier |
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| series | Journal of Materials Research and Technology |
| spelling | doaj-art-8a9acd3f6e074e1ba642333c3d4c976a2025-08-20T02:26:51ZengElsevierJournal of Materials Research and Technology2238-78542025-05-01364284429210.1016/j.jmrt.2025.04.136Magnetic ordering phase transition and abnormal brittleness in dilute Fe–Mn solid solutionWei Liu0Yunfeng Liang1Xiangyan Li2Yichun Xu3Yange Zhang4Wenliang Li5Q.F. Fang6Caetano R. Miranda7Chuan-Lu Yang8C.S. Liu9Xuebang Wu10School of Physics and Optoelectronics Engineering, Ludong University, Yantai, 264025, China; Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, 230031, ChinaDepartment of Systems Innovation, School of Engineering, The University of Tokyo, Tokyo, 113-8656, Japan; Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, 230031, China; Corresponding author. Department of Systems Innovation, School of Engineering, The University of Tokyo, Tokyo 113-8656, Japan.Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, 230031, ChinaKey Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, 230031, ChinaKey Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, 230031, ChinaCollege of Energy Engineering, Xinjiang Institute of Engineering, Urumqi, 830091, ChinaKey Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, 230031, ChinaInstituto de Física, Universidade de São Paulo, CP 66318, São Paulo, SP, 05315-970, Brazil; Corresponding author. Instituto de Física, Universidade de São Paulo, CP 66318, São Paulo, SP, 05315-970, Brazil.School of Physics and Optoelectronics Engineering, Ludong University, Yantai, 264025, ChinaKey Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, 230031, ChinaKey Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, 230031, China; Corresponding author. Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, 230031, China.Experiments showed an antiferromagnetic (AFM)-to-ferromagnetic (FM) phase transition in the Fe–Mn solid solution as the Mn content increases to about 2 at.%. Surprisingly, just approximately from this concentration to 4.8 at.% Mn, Mn-bearing steel becomes very brittle, completely denying its metallic nature. However, mechanisms for the magnetic ordering phase transition and the extraordinary brittleness remain unclear. Based on magnetism-constrained/unconstrained calculations and ab initio molecular dynamics simulations within density functional theory, we show that while the AFM phase prevails at low Mn contents, the FM phase becomes dominant at 1.85 at.% Mn under elevated temperatures and pressures. We show that the phase transition involves electron transfer among 3d states of Mn, revealing a clear difference in the mechanical properties. Furthermore, our results suggest that the AFM−FM phase transition with increasing Mn concentration is correlated to the thermal effect. With this in mind, a concentration and temperature phase diagram at the low-Mn content regime was constructed. It is noted that the abnormal brittleness might be related to the stress variations resulting from the local Fe–Mn magnetic coupling phase changes within the grains.http://www.sciencedirect.com/science/article/pii/S2238785425009573Iron alloysMagnetic phase transitionTemperature effectEmbrittlementab initio calculationsMolecular dynamics simulations |
| spellingShingle | Wei Liu Yunfeng Liang Xiangyan Li Yichun Xu Yange Zhang Wenliang Li Q.F. Fang Caetano R. Miranda Chuan-Lu Yang C.S. Liu Xuebang Wu Magnetic ordering phase transition and abnormal brittleness in dilute Fe–Mn solid solution Journal of Materials Research and Technology Iron alloys Magnetic phase transition Temperature effect Embrittlement ab initio calculations Molecular dynamics simulations |
| title | Magnetic ordering phase transition and abnormal brittleness in dilute Fe–Mn solid solution |
| title_full | Magnetic ordering phase transition and abnormal brittleness in dilute Fe–Mn solid solution |
| title_fullStr | Magnetic ordering phase transition and abnormal brittleness in dilute Fe–Mn solid solution |
| title_full_unstemmed | Magnetic ordering phase transition and abnormal brittleness in dilute Fe–Mn solid solution |
| title_short | Magnetic ordering phase transition and abnormal brittleness in dilute Fe–Mn solid solution |
| title_sort | magnetic ordering phase transition and abnormal brittleness in dilute fe mn solid solution |
| topic | Iron alloys Magnetic phase transition Temperature effect Embrittlement ab initio calculations Molecular dynamics simulations |
| url | http://www.sciencedirect.com/science/article/pii/S2238785425009573 |
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