The effect of local arrangement of excess Mn on phase stability in Ni-Mn-Ga martensite: an ab initio study
The result's identifiers
Result code in 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>
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
The effect of local arrangement of excess Mn on phase stability in Ni-Mn-Ga martensite: an ab initio study
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/GA17-00062S" target="_blank" >GA17-00062S: Understanding modulated structures in Heusler alloys</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Shape Memory and Superelasticity
ISSN
2199-384X
e-ISSN
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Volume of the periodical
6
Issue of the periodical within the volume
1
Country of publishing house
CH - SWITZERLAND
Number of pages
10
Pages from-to
35-44
UT code for WoS article
000500841600001
EID of the result in the Scopus database
2-s2.0-85076309442