Detail publikačního výsledku

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.

Originální název

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

Anglický název

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

Druh

Článek WoS

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

Ni-Mn-Ga; Magnetic shape memory; Martensitic transformation; Elastic properties; Ab initio calculation

Klíčová slova v angličtině

Ni-Mn-Ga; Magnetic shape memory; Martensitic transformation; Elastic properties; Ab initio calculation

Autoři

ZELENÝ, M.; HECZKO, M.; JANOVEC, J.; HOLEC, D.; STRAKA, L.; HECZKO, O.

Rok RIV

2021

Vydáno

01.03.2020

Nakladatel

SPRINGER INTERNATIONAL PUBLISHING AG

Místo

CHAM

ISSN

2199-3858

Periodikum

Shape Memory and Superelasticity

Svazek

6

Číslo

1

Stát

Švýcarská konfederace

Strany od

35

Strany do

44

Strany počet

10

URL

https://link.springer.com/article/10.1007%2Fs40830-019-00247-0

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",
  journal="Shape Memory and Superelasticity",
  year="2020",
  volume="6",
  number="1",
  pages="35--44",
  doi="10.1007/s40830-019-00247-0",
  issn="2199-384X",
  url="https://link.springer.com/article/10.1007%2Fs40830-019-00247-0"
}