Detail publikace
The Effect of Local Arrangement of Excess Mn on Phase Stability in Ni-Mn-Ga Martensite: An Ab Initio Study
ZELENÝ, M. HECZKO, M. JANOVEC, J. HOLEC, D. STRAKA, L. HECZKO, O.
Anglický název
The Effect of Local Arrangement of Excess Mn on Phase Stability in Ni-Mn-Ga Martensite: An Ab Initio Study
Typ
článek v časopise ve Web of Science, Jimp
Jazyk
en
Originální abstrakt
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.
Anglický abstrakt
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.
Klíčová slova anglicky
Ni-Mn-Ga; Magnetic shape memory; Martensitic transformation; Elastic properties; Ab initio calculation
Vydáno
01.03.2020
Nakladatel
SPRINGER INTERNATIONAL PUBLISHING AG
Místo
CHAM
ISSN
2199-3858
Ročník
6
Číslo
1
Strany od–do
35–44
Počet stran
10
BIBTEX
@article{BUT162377,
author="Martin {Zelený} and Martin {Heczko} and Jozef {Janovec} and David {Holec} and Ladislav {Straka} and Oleg {Heczko},
title="The Effect of Local Arrangement of Excess Mn on Phase Stability in Ni-Mn-Ga Martensite: An Ab Initio Study",
year="2020",
volume="6",
number="1",
month="March",
pages="35--44",
publisher="SPRINGER INTERNATIONAL PUBLISHING AG",
address="CHAM",
issn="2199-3858"
}