Theoretical investigation of the effects of composition and atomic disordering on the properties of Ni2Mn(Al1−Ga ) alloy

Luo, Hubin; Li, Chunmei; Hu, Qing‐Miao; Yang, Rui; Johansson, Börje; Vitos, Levente

doi:10.1016/j.actamat.2010.10.023

Cited by 31 publications

(15 citation statements)

References 51 publications

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“…An approximately linear relationship was also reported in experiments using an off-stoichiometric Ni 49.4 Mn 27.7 Ga 22.9 in a single-crystal form [30]. Such a linear relationship may be valid for the isostructural system, Ni 50 Mn 25 Al 12.5 Ga 12.5 , which shows the similar trend of magnetic moments vs. degree of disorder [29]. Note that, for a Ni 50 Mn 25 Al 12.5 Ga 12.5 alloy, the atomic disordering represents a substitution of Mn atoms with Al/Ga atoms.…”

Section: Discussionsupporting

confidence: 53%

“…Based on first-principles calculations using a typical Heusler system, Ni 50 Mn 25 Ga 25 , Luo et al [29] claimed that the net magnetization is reduced linearly with increasing degree of atomic disordering; for a Ni 50 Mn 25 Ga 25 alloy, the atomic disordering represents a substitution of Mn atoms with Ga atoms. An approximately linear relationship was also reported in experiments using an off-stoichiometric Ni 49.4 Mn 27.7 Ga 22.9 in a single-crystal form [30].…”

Section: Discussionmentioning

confidence: 99%

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Determination of magnetic flux density at the nanometer-scale antiphase boundary in Heusler alloy Ni50Mn25Al12.5Ga12.5

et al. 2013

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Section: Discussionsupporting

confidence: 53%

Section: Discussionmentioning

confidence: 99%

Determination of magnetic flux density at the nanometer-scale antiphase boundary in Heusler alloy Ni50Mn25Al12.5Ga12.5

et al. 2013

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“…In recent years, the Engineering Alloys Division of Shenyang National Laboratory for Materials Science, Institute of Metal Research has investigated the composition dependent elastic modulus and phase stability of Ni 2 MnGa-based alloys by using first-principles calculations, in hope of clarifying their connection to the properties of these alloys [33][34][35][36][37][38][39]. This review is to summarize our main progresses on this topic.…”

Section: Overviewmentioning

confidence: 99%

“…The calculated shear modulus C' (in GPa) and experimental martensitic transformation temperature T M (K) of Ni 2 Mn(Ga 1c Al c ) alloys[36].…”

mentioning

confidence: 99%

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Composition dependent elastic modulus and phase stability of Ni2MnGa based ferromagnetic shape memory alloys

Luo

et al. 2011

Sci. China Technol. Sci.

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Ni 2 MnGa based ferromagnetic alloys are ideal candidates for applications such as actuators, magnetic refrigerators or magnetostrictive transducers due to their attractive properties such as magnetic field induced shape memory effect and large magnetocaloric effect. The properties of these alloys (e.g., the martensitic transformation temperature T M ) sensitively depend on the composition. Understanding the composition dependence of these properties so as to design the alloy as desired is one of the main research topics in this area. In recent years, we have investigated the composition dependent elastic modulus and phase stability of Ni 2 MnGa-based alloys by using a first-principles method, in hope of clarifying their connection to the properties of these alloys. In this article, we review the main results of our investigations. We show that the tetragonal shear modulus C' is a better predictor of the composition dependent T M than the number of valence electrons per atom (e/a) since the general T M~C ' correlation works for some of the alloys for which the T M~e /a correlation fails, although there exist several cases for which both the general T M~C ' and T M~e /a correlations break down. Employing the experimentally determined modulation function, the complex 5-layer modulated (5M) structure of the martensite of Ni 2 MnGa and the Al-doping effect on it are studied. We find that the shuffle and shear of the 5M structure are linearly coupled. The relative stability of the austenite and the martensites is examined by comparing their total energies. The non-modulated martensite   ′′′ with the tetragonality of the unit cell c/a>1 is shown to be globally stable whereas the 5M martensite with c/a<1 is metastable. The critical Al atomic fraction over which the martensitic transformation between the 5M martensite and austenite cannot occur is predicted to be 0.26, in reasonable agreement with experimental findings. Ni 2 MnGa, martensitic transformation, elastic modulus, phase stability, density functional theory Citation: Hu Q M, Luo H B, Li C M, et al. Composition dependent elastic modulus and phase stability of Ni 2 MnGa based ferromagnetic shape memory alloys.The ferromagnetic Ni 2 MnGa-based alloys have drawn much attention in recent years due to their attractive properties such as magnetic field induced shape memory effect and large magnetocaloric effect, resulting from the coupling between the magnetic and reversible martensitic transitions (e.g., refs. [1-4]). These properties make the alloys ideal candidates for applications such as actuators, magnetic refrigerators or magnetostrictive transducers, and so on. The shape memory effect results mainly from the reversible martensitic transformation (MT) between the high temperature austenite structure and the low temperature martensite. The austenite has cubic L2 1 structure as shown in Figure 1(a).

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Experimental Observations versus First‐Principles Calculations for Ni–Mn–Ga Ferromagnetic Shape Memory Alloys: A Review

Seiner

Zelený

Sedlák

et al. 2022

Physica Rapid Research Ltrs

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This review summarizes recent advances in first‐principles simulations of the structural, mechanical, and magnetomechanical properties of Ni–Mn–Ga‐based ferromagnetic shape memory alloys from the perspective of experimental characterization. It focuses on calculations that can capture the main features of the low‐temperature phases, particularly the appearance of spatial modulations, the occurrence of intermartensitic transitions, and the high mobility of the twin boundaries, which allows for magnetically induced reorientation. Although the calculations can only be used to interpret some of these features and are not yet ready to be used as a tool for designing new alloys with the required properties, the gap between experimental observations and simulations is narrowing. When experiments and theory are discussed together, new challenges arise for both. In addition, new results on first‐principles‐determined elastic constants of the 10M martensite of Ni–Mn–Ga are presented and discussed with respect to the high mobility of the twin boundaries.

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Theoretical investigation of the effects of composition and atomic disordering on the properties of Ni2Mn(Al1−Ga ) alloy

Cited by 31 publications

References 51 publications

Determination of magnetic flux density at the nanometer-scale antiphase boundary in Heusler alloy Ni50Mn25Al12.5Ga12.5

Determination of magnetic flux density at the nanometer-scale antiphase boundary in Heusler alloy Ni50Mn25Al12.5Ga12.5

Composition dependent elastic modulus and phase stability of Ni2MnGa based ferromagnetic shape memory alloys

Experimental Observations versus First‐Principles Calculations for Ni–Mn–Ga Ferromagnetic Shape Memory Alloys: A Review

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