First-principle investigations of martensitic transformation and magnetic properties in Ni24Mn17−In7Cu  (x = 0–5) alloys

Bai, Jing; Liu, Die; Gu, Jianglong; Shi, Shengyao; Liang, Xinzeng; Yan, Haile; Zhang, Yudong; Esling, Claude; Zhao, Xiang; Zuo, Liang

doi:10.1016/j.jmmm.2020.167363

Cited by 5 publications

(3 citation statements)

References 26 publications

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“…In order to enhance its mechanical performance, researchers improved the preparation process including directional solidification, [8] melt-spun technique, [9] etc. and doped the fourth component, for example, Co, [10][11][12][13][14] Fe, [15,16] Cu, [17] B, [18] etc.…”

Section: Introductionmentioning

confidence: 99%

Phase Stability, Elastic and Electronic Properties of Ni₃Ti Intermetallic Doped with Mn and Fe: First‐Principles Calculations

Jiang

Bai

et al. 2022

Physica Status Solidi (b)

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Herein, the phase stability, elastic and electronic properties of the (Ni, Mn, Fe)3Ti precipitation in Fe‐doped Ni–Mn–Ti alloy are systematically investigated by the first‐principles calculations. The results show that the doped Mn and Fe prefer to occupy the Ni site of the Ni3Ti phase, and they reduce the stability of the pure Ni3Ti. In addition, the elastic constants C ij of Ni3−x−y Mn x Fe y Ti (x = 0, 0.25; y = 0, 0.25) are calculated and the bulk modulus, shear modulus, Young's modulus, and Pugh's ratio are deduced from C ij . The doped Mn and Fe reduce the mechanical properties of the pure Ni3Ti phase; however, the shear modulus and Young's modulus of the Ni3−x−y Mn x Fe y Ti (x = 0, 0.25; y = 0, 0.25) second phases are still much stronger than those of the matrix phase Ni2MnTi. Further analysis of the magnetic properties and electronic structures shows that the doped Fe and Mn increase the magnetic moment of the Ni3Ti phase.

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Section: Introductionmentioning

confidence: 99%

Phase Stability, Elastic and Electronic Properties of Ni₃Ti Intermetallic Doped with Mn and Fe: First‐Principles Calculations

Jiang

Bai

et al. 2022

Physica Status Solidi (b)

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“…Moreover, the first-principles calculations indicate that Co preferentially occupies the Ni sublattice directly [12]. However, an unavoidable problem is a significant increase in ∆T Hys with the substitution of Ni by Co. On the contrary, the Cu addition can reduce the ∆T Hys [10,13,14] and Cu atoms have been identified as preferentially occupying excess Mn sites by theoretical calculations [15]. Subsequently, some researchers have added both Co and Cu to Ni-Mn-In alloys intending to achieve a reduction in ∆T Hys while maintaining high ∆M [10,16].…”

Section: Introductionmentioning

confidence: 99%

“…Subsequently, some researchers have added both Co and Cu to Ni-Mn-In alloys intending to achieve a reduction in ∆T Hys while maintaining high ∆M [10,16]. However, the replacement of Mn by the non-magnetic element Cu leads to a significant decrease in magnetism and an increase in martensitic transformation temperature by the first-principles calculations and experiments [15].…”

Section: Introductionmentioning

confidence: 99%

Composition-Dependent of 6 M Martensite Structure and Magnetism in Cu-Alloyed Ni-Mn-In-Co by First-Principles Calculations

Liang

Bai

et al. 2021

Acta Metall. Sin. (Engl. Lett.)

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The composition dependence of the crystal structure and magnetism of the 6 M martensite for the Cu-doped Ni 43.75 Mn 37.5 In 12.5 Co 6.25 alloy at different site occupations (Cu substitution for Ni, Mn, In, and Co, respectively) is investigated in detail with the first-principles calculations. Results show that the austenite (A) phase exhibits a ferromagnetic (FM) state in all occupation manners, the 6 M martensite possesses an FM state except for the case of Cu substitution at the normal Mn (Mn1) site, and the non-modulated (NM) martensite displays a ferrimagnetic (FIM) state apart from the Cu substitution at the Ni, Mn1, or In sites. The Cu atom destabilizes the A, 6 M, and NM phases regardless of the occupation manner. The one-step martensitic transformation from the A to NM phase occurs in the case of Cu substituting for Mn1, excess Mn (Mn2), or Co; for Cu substituting Ni, a martensitic transformation including 6 M martensite happens, i.e., A → 6 M → NM; however, the martensitic transformation disappears when Cu replaces In site. From the equilibrium lattice constants, it can be speculated that the substitution of Cu for Ni can effectively reduce the thermal hysteresis (∆T Hys ). The magnetic properties are found to be greatly reduced by the substitution of the non-magnetic element Cu for the ferromagnetic Mn atom, whereas the effect is fewer in the remaining cases. It is predicted that the alloy has more favorable properties when Cu replaces Ni. The present results can lay a theoretical foundation for further development of multielement magnetic shape memory alloys.

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Simultaneous improvement of magnetic-field-induced working temperature and mechanical properties in Ni–Mn–In shape memory alloy

Zhang

Han

et al. 2022

AIP Advances

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Ni–Mn–In magnetic shape memory alloys, which can be stimulated by an external magnetic field, exhibit a fast response and have aroused wide attention in the field of electro-mechanical actuators. However, the low working temperature and the inherent brittleness severely limit their application scenarios. Here, an effective strategy is proposed to improve the magnetic-field-induced working temperature and mechanical properties in Ni–Mn–In shape memory alloys. We predict that the Ni16Mn12In4 alloy with Pt doping can solve the problems simultaneously through a comprehensive first-principles study. The calculations show that Pt occupying Ni sites can increase the martensitic temperature ( T M) and Curie temperature ( TC) simultaneously. T M and TC of Ni14Mn12In4Pt2 are predicted to be as high as 440 and 476 K, respectively. This is mainly due to the increased phase stability of the martensite and Pt–Mn bonds having stronger ferromagnetic exchange effects than Ni–Mn bonds after Pt doping. Moreover, according to the increase of B/G and v after Pt doping, it can be concluded that the mechanical properties of the alloy have been improved.

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First-principle investigations of martensitic transformation and magnetic properties in Ni24Mn17−In7Cu (x = 0–5) alloys

Cited by 5 publications

References 26 publications

Phase Stability, Elastic and Electronic Properties of Ni₃Ti Intermetallic Doped with Mn and Fe: First‐Principles Calculations

Phase Stability, Elastic and Electronic Properties of Ni₃Ti Intermetallic Doped with Mn and Fe: First‐Principles Calculations

Composition-Dependent of 6 M Martensite Structure and Magnetism in Cu-Alloyed Ni-Mn-In-Co by First-Principles Calculations

Simultaneous improvement of magnetic-field-induced working temperature and mechanical properties in Ni–Mn–In shape memory alloy

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First-principle investigations of martensitic transformation and magnetic properties in Ni24Mn17−In7Cu (x = 0–5) alloys

Cited by 5 publications

References 26 publications

Phase Stability, Elastic and Electronic Properties of Ni3Ti Intermetallic Doped with Mn and Fe: First‐Principles Calculations

Phase Stability, Elastic and Electronic Properties of Ni3Ti Intermetallic Doped with Mn and Fe: First‐Principles Calculations

Composition-Dependent of 6 M Martensite Structure and Magnetism in Cu-Alloyed Ni-Mn-In-Co by First-Principles Calculations

Simultaneous improvement of magnetic-field-induced working temperature and mechanical properties in Ni–Mn–In shape memory alloy

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Phase Stability, Elastic and Electronic Properties of Ni₃Ti Intermetallic Doped with Mn and Fe: First‐Principles Calculations

Phase Stability, Elastic and Electronic Properties of Ni₃Ti Intermetallic Doped with Mn and Fe: First‐Principles Calculations