A multielement alloying strategy to tune magnetic and mechanical properties in NiMnTi alloys via Co and B

The phase stability, martensitic transformation, and magnetic and mechanical properties of (Ni2-xCoxMn1.5Ti0.5)1-yBy (0 ≤ x ≤ 0.625; y = 0.03 and 0.06) alloys are systematically studied through the first-principles calculations method. The Co and B atoms are inclined to be aggregated distribution in...

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Bibliographic Details
Published in:Journal of applied physics 2022-09, Vol.132 (9)
Main Authors: Liu, Xin, Bai, Jing, Sun, Shaodong, Xu, Jiaxin, Jiang, Xinjun, Guan, Ziqi, Gu, Jianglong, Cong, Daoyong, Zhang, Yudong, Esling, Claude, Zhao, Xiang, Zuo, Liang
Format: Article
Language:English
Subjects:
Alloy systems
Alloying
Alloys
Antiferromagnetism
Austenite
Doping
Elongation
Ferromagnetism
First principles
Magnetic properties
Martensite
Martensitic transformations
Mechanical properties
Phase stability
Plastic properties
Stiffness
Toughness
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Summary:The phase stability, martensitic transformation, and magnetic and mechanical properties of (Ni2-xCoxMn1.5Ti0.5)1-yBy (0 ≤ x ≤ 0.625; y = 0.03 and 0.06) alloys are systematically studied through the first-principles calculations method. The Co and B atoms are inclined to be aggregated distribution in the Ni2Mn1.5Ti0.5 alloy, and the phase stability of the austenite and non-modulated (NM) martensite decreases by co-doping. The ferromagnetic activation effect in the austenite occurs when x = 0.03 and y = 0.625. The magnetism of the austenite changes from an antiferromagnetic to a ferromagnetic state, which is ascribed to the elongation of the nearest neighboring distance of Mn–Mn, the nearest Mn–Mn distance increases from 2.50–2.79 to 2.90–2.94 Å, while the NM martensite always shows antiferromagnetism. Additionally, the doped B accelerates the change from antiferromagnetic to ferromagnetic for the austenite, but B-doping decreases the stability of the whole alloy system. The Co and B co-doping increases the stiffness of the NiMnTi alloy but decreases toughness and plasticity. However, the toughness and plasticity of the NiCoMnTiB alloy are better than those of the NiMnTiB alloy, indicating that the Co doping increases the d-orbital hybridization in the NiMnTiB alloy. The above results are expected to support the performance design of the NiMnTi-based alloy.
ISSN:0021-8979
1089-7550
DOI:10.1063/5.0100231