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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%2F00216208%3A11320%2F20%3A10417452" target="_blank" >RIV/00216208:11320/20:10417452 - isvavai.cz</a>

  • Alternative codes found

    RIV/00216305:26210/20:PU135583

  • Result on the web

    <a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=xbiL2PNvN4" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=xbiL2PNvN4</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

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

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

Result continuities

  • Project

    <a href="/en/project/8J18AT004" target="_blank" >8J18AT004: Understanding of the magnetostriction in Fe-Ti alloys by first-principles calculations</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 [online]

  • ISSN

    2199-3858

  • e-ISSN

  • 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