Ab initio study of Ni2MnGa under shear deformation
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26210%2F15%3APU116665" target="_blank" >RIV/00216305:26210/15:PU116665 - isvavai.cz</a>
Result on the web
<a href="http://www.esomat.org/articles/matecconf/abs/2015/14/matecconf_esomat2015_05006/matecconf_esomat2015_05006.html" target="_blank" >http://www.esomat.org/articles/matecconf/abs/2015/14/matecconf_esomat2015_05006/matecconf_esomat2015_05006.html</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1051/matecconf/20153305006" target="_blank" >10.1051/matecconf/20153305006</a>
Alternative languages
Result language
angličtina
Original language name
Ab initio study of Ni2MnGa under shear deformation
Original language description
The effect of shear deformation on Ni2MnGa magnetic shape memory alloy has been investigated using ab initio electronic structure calculations. We used the projector-augmented wave method for the calculations of total energies and stresses as functions of applied affine shear deformation. The studied nonmodulated martensite (NM) phase exhibits a tetragonally distorted L21 structure with c/a > 1. A large strain corresponding to simple shears in <100>{001}, <001>{100} and <010>{100} systems was applied to describe a full path between two equivalent NM lattices. We also studied <10-1>{101} shear which is related to twining of NM phase. Twin reorientation in this system is possible, because applied positive shear results in path with significantly smaller energetic barrier than for negative shear and for shears in other studied systems. When the full relaxation of lattice parameters is allowed, the barriers further strongly decrease and the structures along the twinning path can be considered as orthorhombic.
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
ESOMAT 2015 – 10th European Symposium on Martensitic Transformations
ISBN
978-2-7598-1925-6
ISSN
2261-236X
e-ISSN
—
Number of pages
6
Pages from-to
„05006-1“-„05006-6“
Publisher name
EDP Sciences
Place of publication
Neuveden
Event location
Antverpy
Event date
Sep 14, 2015
Type of event by nationality
EUR - Evropská akce
UT code for WoS article
000372402800048