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

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388998%3A_____%2F24%3A00603249" target="_blank" >RIV/61388998:_____/24:00603249 - isvavai.cz</a>

Result on the web

<a href="https://link.springer.com/article/10.1007/s40830-024-00510-z" target="_blank" >https://link.springer.com/article/10.1007/s40830-024-00510-z</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s40830-024-00510-z" target="_blank" >10.1007/s40830-024-00510-z</a>

Result language

angličtina

Original language name

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

Original language description

The impact of shear deformation in (101)[101<overline>]documentclass[12pt]{minimal} usepackage{amsmath} usepackage{wasysym} usepackage{amsfonts} usepackage{amssymb} usepackage{amsbsy} usepackage{mathrsfs} usepackage{upgreek} setlength{oddsidemargin}{-69pt} begin{document}$$(101)[10overline{1}]$$end{document} 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.

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

20501 - Materials engineering

Project

<a href="/en/project/EH22_008%2F0004591" target="_blank" >EH22_008/0004591: Ferroic Multifunctionalities</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2024

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Shape Memory and Superelasticity

ISSN

2199-384X

e-ISSN

2199-3858

Volume of the periodical

10

Issue of the periodical within the volume

4

Country of publishing house

CH - SWITZERLAND

Number of pages

13

Pages from-to

474-486

UT code for WoS article

001349829700001

EID of the result in the Scopus database

2-s2.0-85208490596