The effect of local arrangement of excess Mn on phase stability in Ni-Mn-Ga martensite: an ab initio study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F20%3A00525125" target="_blank" >RIV/68378271:_____/20:00525125 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1007/s40830-019-00247-0" target="_blank" >https://doi.org/10.1007/s40830-019-00247-0</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s40830-019-00247-0" target="_blank" >10.1007/s40830-019-00247-0</a>

Jazyk výsledku

angličtina

Název v původním jazyce

The effect of local arrangement of excess Mn on phase stability in Ni-Mn-Ga martensite: an ab initio study

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

The effect of local arrangement of excess Mn on phase stability in Ni-Mn-Ga martensite: an ab initio study

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/GA17-00062S" target="_blank" >GA17-00062S: Vysvětlení modulovaných struktur Heuslerových slitin</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Shape Memory and Superelasticity

ISSN

2199-384X

e-ISSN

—

Svazek periodika

6

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

10

Strana od-do

35-44

Kód UT WoS článku

000500841600001

EID výsledku v databázi Scopus

2-s2.0-85076309442