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Published in: Shape Memory and Superelasticity 1/2020

05-12-2019 | ICFSMA 2019

The Effect of Local Arrangement of Excess Mn on Phase Stability in Ni–Mn–Ga Martensite: An Ab Initio Study

Authors: Martin Zelený, Martin Heczko, Jozef Janovec, David Holec, Ladislav Straka, Oleg Heczko

Published in: Shape Memory and Superelasticity | Issue 1/2020

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Abstract

The effect of excess Mn on the stability of modulation and elastic properties was investigated using ab initio electronic structure calculations in Ni–Mn–Ga magnetic shape memory alloy. We used the structure of four layered modulated martensite known as 4O to describe modulation of the martensitic lattice. We found that elastic properties of stoichiometric 4O martensite are very similar to elastic properties of 10M martensite reported in previous calculations. The modulated structure becomes less stable than nonmodulated martensite above 3 at.% of excess Mn which corresponds very well to experimental observation at low temperature. Elastic properties of NM martensite are not significantly affected by Mn content nor local arrangements of Mn-excess atoms. We also found that Mn-excess atoms prefer occupation of distant positions for low Mn-excess composition. The occupation of closest position is preferred for alloys with higher content of Mn.
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Metadata
Title
The Effect of Local Arrangement of Excess Mn on Phase Stability in Ni–Mn–Ga Martensite: An Ab Initio Study
Authors
Martin Zelený
Martin Heczko
Jozef Janovec
David Holec
Ladislav Straka
Oleg Heczko
Publication date
05-12-2019
Publisher
Springer US
Published in
Shape Memory and Superelasticity / Issue 1/2020
Print ISSN: 2199-384X
Electronic ISSN: 2199-3858
DOI
https://doi.org/10.1007/s40830-019-00247-0

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