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Effect of multicomponent alloying with Ni, Mn and Mo on phase stability of bcc Fe-Cr alloys
Natl Univ Sci and Technol MISIS, Russia.
KTH Royal Inst Technol, Sweden; Leoben Forsch GmbH, Austria.
Natl Univ Sci and Technol MISIS, Russia.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
2018 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 150, p. 117-129Article in journal (Refereed) Published
Abstract [en]

Fe-Cr system attracts lot of attention in condensed matter physics due to its technological importance and extraordinary physics related to a non-trivial interplay between magnetic and chemical interactions. However, the effect of multicomponent alloying on the properties of Fe-Cr alloys are less studied. We have calculated the mixing enthalpy, magnetic moments, effective chemical, strain-induced and magnetic exchange interactions to investigate the alloying effect of Ni, Mn, Mo on the phase stability of the ferromagnetic bcc Fe Cr system at zero K. We demonstrate that the alloying reduces the stability of Fe-Cr alloys and expands the region of spinodal decomposition. At the same time, the mixing enthalpy in ternary Fe100-c-05CrcNi05 alloys indicates a stability of solid solution phase up to 6 at. % Cr. In Fem(100-c-07)CrNi(05)Mn(01)Mo(01) alloys, we did not find any alloy composition that has negative enthalpy of formation. Analyzing magnetic and electronic properties of the alloys and investigating magnetic, chemical and strain-induced interactions in the studied systems, we provide physically transparent picture of the main factors leading to the destabilization of the Fe-Cr solid solutions by the multicomponent alloying with Ni, Mn, Mo. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Place, publisher, year, edition, pages
PERGAMON-ELSEVIER SCIENCE LTD , 2018. Vol. 150, p. 117-129
Keywords [en]
First-principles calculations; Fe-Cr system; Multicomponent alloying; Phase stability; Spinodal decompositon; Mixing enthalpy
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-149377DOI: 10.1016/j.actamat.2018.02.007ISI: 000433272400011OAI: oai:DiVA.org:liu-149377DiVA, id: diva2:1229737
Note

Funding Agencies|Swedish Research Council [2015-04391]; Swedish Government Strategic Research Areas in Materials Science on Functional Materials at Linkoping University (Faculty Grant SFO-Mat-LiU) [2009-00971]; Swedish e-science Research Centre (SeRC); Ministry of Education and Science of the Russian Federation [14.Y26.31.0005]; Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST "MISIS" [K2-2017-080]; Swedish Research Council (VR project) [2015-05538]; European Research Council; VINNEX center Hero-m - Swedish Governmental; Agency for Innovation Systems (VINNOVA); Swedish industry; Royal Institute of Technology (KTH); Austrian Federal Government (Bundesministerium fur Verkehr, Innovation und Technologie); Austrian Federal Government (Bundesministerium fur Wirtschaft, Familie und Jugend)

Available from: 2018-07-02 Created: 2018-07-02 Last updated: 2018-08-03

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