B3 Unrefereed conference proceedings

First Principles Study of Martensitic Transformations in Ni-Mn-Ga Alloys


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Publication Details
Authors: Zelený M., Heczko M., Straka L., Sozinov A., Heczko O.
Publication year: 2018
Language: English
Title of parent publication: 11th European Symposium on Martensitic Transformations ESOMAT 2018
JUFO-Level of this publication: 0
Open Access: Open Access publication

Abstract

Using first-principles calculations combined with the
generalized solid state nudged elastic band method we
determined the minimum energy path in Ni2MnGa
magnetic shape memory alloy starting from L21 structure
of austenite and leading to the different modulated phases
of martensite (4O, 10M, and 14M) and to non-modulated
(NM) phase. We have found that there is no energy barrier
on the path to the 10M phase. Transformation paths to
other structures including NM martensite exhibit more or
less significant barriers in the beginning, hindering such a
transformation from austenite although these structures
exhibits lower total energy. On the other hand, in offstoichiometric alloys the barrier-less transformation was
found between austenite and NM martensite


Last updated on 2019-14-01 at 13:09

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