Shear Deformation of Non-modulated Ni2MnGa Martensite: An Ab Initio Study

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dc.contributor.authorHeczko, Martincs
dc.contributor.authorŠesták, Petrcs
dc.contributor.authorSeiner, Hanušcs
dc.contributor.authorZelený, Martincs
dc.coverage.issue4cs
dc.coverage.volume10cs
dc.date.accessioned2025-04-08T09:56:21Z
dc.date.available2025-04-08T09:56:21Z
dc.date.issued2024-11-07cs
dc.description.abstractThe impact of shear deformation in (101)[101] system of non-modulated (NM) martensite in Ni2MnGa ferromagnetic shape memory alloy is investigated by means of ab initio atomistic simulations. The shear system is associated with twinning of NM lattice and intermatensitic transformation to modulated structures. The stability of the NM lattice increases with increasing content of Mn. The most realistic shear mechanism for twin reorientation can be approximated by the simple shear mechanism, although the lowest barriers were calculated for pure shear mechanism. The energy barrier between twin variants further reduces due to spontaneous appearance of lattice modulation or, in other words, the nanotwins with thickness of two atomic planes. Such nanotwins appear also on the generalized planar fault energy (GPFE) curve calculated using a newly developed advanced procedure and exhibits even lower energy than the defect free NM structure. These nanotwin doublelayers are also basic building blocks of modulated structures and play an important role in intermartensitic transformation.en
dc.formattextcs
dc.format.extent474-486cs
dc.format.mimetypeapplication/pdfcs
dc.identifier.citationShape Memory and Superelasticity. 2024, vol. 10, issue 4, p. 474-486.en
dc.identifier.doi10.1007/s40830-024-00510-zcs
dc.identifier.issn2199-3858cs
dc.identifier.orcid0000-0002-7874-2042cs
dc.identifier.orcid0000-0001-8172-1683cs
dc.identifier.orcid0000-0001-6715-4088cs
dc.identifier.other193835cs
dc.identifier.researcheridD-8514-2012cs
dc.identifier.researcheridC-5602-2013cs
dc.identifier.scopus23976608700cs
dc.identifier.scopus57076741200cs
dc.identifier.urihttps://hdl.handle.net/11012/250843
dc.language.isoencs
dc.publisherSPRINGER INT PUBL AGcs
dc.relation.ispartofShape Memory and Superelasticitycs
dc.relation.urihttps://link.springer.com/article/10.1007/s40830-024-00510-zcs
dc.rightsCreative Commons Attribution 4.0 Internationalcs
dc.rights.accessopenAccesscs
dc.rights.sherpahttp://www.sherpa.ac.uk/romeo/issn/2199-3858/cs
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/cs
dc.subjectNiMnGaen
dc.subjectFerromagnetic shape memory alloyen
dc.subjectMartensiteen
dc.subjectTwinningen
dc.subjectShear deformationen
dc.subjectIntermartensitic transformationen
dc.subjectAb initio calculationsen
dc.titleShear Deformation of Non-modulated Ni2MnGa Martensite: An Ab Initio Studyen
dc.type.driverarticleen
dc.type.statusPeer-revieweden
dc.type.versionpublishedVersionen
sync.item.dbidVAV-193835en
sync.item.dbtypeVAVen
sync.item.insts2025.04.08 11:56:21en
sync.item.modts2025.04.08 11:33:22en
thesis.grantorVysoké učení technické v Brně. Fakulta strojního inženýrství. Ústav materiálových věd a inženýrstvícs
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