Počet záznamů: 1
Shear Deformation of Non-modulated Ni2MnGa Martensite: An Ab Initio Study
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SYSNO ASEP 0603249 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Shear Deformation of Non-modulated Ni2MnGa Martensite: An Ab Initio Study Tvůrce(i) Heczko, M. (CZ)
Šesták, P. (CZ)
Seiner, Hanuš (UT-L) RID, ORCID
Zelený, M. (CZ)Celkový počet autorů 4 Zdroj.dok. Shape Memory and Superelasticity - ISSN 2199-384X
Roč. 10, č. 4 (2024), s. 474-486Poč.str. 13 s. Forma vydání Tištěná - P Jazyk dok. eng - angličtina Země vyd. CH - Švýcarsko Klíč. slova stress-induced martensites ; total-energy calculations ; twinning stress ; magnetic-field ; approximation ; rearrangement ; boundaries ; metals ; alloys ; Ab initio calculations Obor OECD Materials engineering CEP EH22_008/0004591 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy Způsob publikování Open access Institucionální podpora UT-L - RVO:61388998 UT WOS 001349829700001 EID SCOPUS 85208490596 DOI https://doi.org/10.1007/s40830-024-00510-z Anotace 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} gin{document}$$(101)[10\overline{1}]$$\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. Pracoviště Ústav termomechaniky Kontakt Marie Kajprová, kajprova@it.cas.cz, Tel.: 266 053 154 ; Jana Lahovská, jaja@it.cas.cz, Tel.: 266 053 823 Rok sběru 2025 Elektronická adresa https://link.springer.com/article/10.1007/s40830-024-00510-z
Počet záznamů: 1