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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26210%2F24%3APU155024" target="_blank" >RIV/00216305:26210/24:PU155024 - isvavai.cz</a>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20501 - Materials engineering

Projekt

<a href="/cs/project/GA21-06613S" target="_blank" >GA21-06613S: Dvojčatové struktury v materiálech s magnetickou tvarovou pamětí</a><br>

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2024

Kód důvěrnosti údajů

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

Název periodika

Shape Memory and Superelasticity

ISSN

2199-3858

e-ISSN

—

Svazek periodika

10

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

13

Strana od-do

474-486

Kód UT WoS článku

001349829700001

EID výsledku v databázi Scopus

2-s2.0-85208490596