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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Zelený, Martin
Brno University of Technology
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (11/11 displayed)
- 2024Constant plane shift model: Structure analysis of martensitic phases in Ni50Mn27Ga22Fe1 beyond non-modulated building blockscitations
- 2022Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experimentscitations
- 2022Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experimentscitations
- 2022Localization versus delocalization of d-states within the Ni 2 MnGa Heusler alloycitations
- 2021Ab initio study of Ni2MnGa under shear deformation ; Ab initio studium slitiny Ni2MnGa vystavené smykové deformacicitations
- 2021Effect of electron localization in theoretical design of Ni-Mn-Ga based magnetic shape memory alloyscitations
- 2021Ab initio study of properties of Co- and Cu- doped Ni-Mn-Ga alloys ; Ab initio studium vlastností slitiny Ni-Mn-Ga dopované Co a Cucitations
- 2020Low temperature a/b nanotwins in Ni50Mn25+xGa25x Heusler alloyscitations
- 2020Magnetic and Magneto-Optical Properties of Fe75-xMn25Gax Heusler-like Compoundscitations
- 2020Transformation Paths from Cubic to Low-Symmetry Structures in Heusler Ni2MnGa Compoundcitations
- 2020First-principles study of Zn-doping effects on phase stability and magnetic anisotropy of Ni-Mn-Ga alloyscitations
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article
Transformation Paths from Cubic to Low-Symmetry Structures in Heusler Ni2MnGa Compound
Abstract
In order to explain the formation of low-temperature phases in stoichiometric Ni2MnGa magnetic shape memory alloy, we investigate the phase transformation paths from cubic austenite with Heusler structure to low-symmetry martensitic structures. We used ab initio calculations combined with the generalized solid state nudged elastic band method to determine the minimum energy path and corresponding changes in crystal lattice. The four-, five-, and seven-layered modulated phases of martensite (4O, 10M, and 14M) are built as the relaxed nanotwinned non-modulated (NM) phase. Despite having a total energy larger than the other martensitic phases, the 10M phase will spontaneously form at 0 K, because there is no energy barrier on the path and the energy decreases with a large negative slope. Moreover, a similar negative slope in the beginning of path is found also for the transformation to the 6M premartensite, which appears as a local minimum on the path leading further to 10M martensite. Transformation paths to other structures exhibit more or less significant barriers in the beginning hindering such a transformation from austenite. These findings correspond to experiment and demonstrates that the kinetics of the transformation is decisive for the selection of the particular low-symmetry structure.