Publication result detail

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

HECZKO, M.; ŠESTÁK, P.; SEINER, H.; ZELENÝ, M.

Original Title

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

English Title

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

Type

WoS Article

Original Abstract

The 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.

English abstract

The 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.

Keywords

NiMnGa; Ferromagnetic shape memory alloy; Martensite; Twinning; Shear deformation; Intermartensitic transformation; Ab initio calculations

Key words in English

NiMnGa; Ferromagnetic shape memory alloy; Martensite; Twinning; Shear deformation; Intermartensitic transformation; Ab initio calculations

Authors

HECZKO, M.; ŠESTÁK, P.; SEINER, H.; ZELENÝ, M.

RIV year

2025

Released

07.11.2024

Publisher

SPRINGER INT PUBL AG

Location

CHAM

ISBN

2199-3858

Periodical

Shape Memory and Superelasticity

Volume

10

Number

4

State

Swiss Confederation

Pages from

474

Pages to

486

Pages count

13

URL

https://link.springer.com/article/10.1007/s40830-024-00510-z

Full text in the Digital Library

http://hdl.handle.net/11012/250843

BibTex

@article{BUT193835,
  author="Martin {Heczko} and Petr {Šesták} and Hanuš {Seiner} and Martin {Zelený}",
  title="Shear Deformation of Non-modulated Ni2MnGa Martensite: An Ab Initio Study",
  journal="Shape Memory and Superelasticity",
  year="2024",
  volume="10",
  number="4",
  pages="474--486",
  doi="10.1007/s40830-024-00510-z",
  issn="2199-384X",
  url="https://link.springer.com/article/10.1007/s40830-024-00510-z"
}

Documents

s40830-024-00510-z