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Ordered Phases in Fe-Si Alloys: A First-Principles Study
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics. Department of Physics and Astronomy, Division of Materials Theory Uppsala University Uppsala Sweden; Wigner Research Center for Physics Institute for Solid State Physics and Optics Budapest Hungary.ORCID iD: 0000-0003-2832-3293
2018 (English)In: Journal of the Korean Physical Society, ISSN 0374-4884, E-ISSN 1976-8524, Vol. 72, no 6, p. 737-740Article in journal (Refereed) Published
Abstract [en]

It is known that the formation of ordered phases causes the brittleness of electrical steels. We employed first-principles method in order to examine the possibility of the ordered-phases formation in Fe-Si alloys. It is found that the D03-like ordered configuration is most stable among other atomic configurations in the ferromagnetic state. In the paramagnetic state, for low Si concentration, the stability of the ordered configurations is comparable to that of disordered ones. However, as Si content increases, the B2 ordered phase as well as the D03 phase becomes more stable than the disordered ones. 

Place, publisher, year, edition, pages
The Korean Physical Society , 2018. Vol. 72, no 6, p. 737-740
Keyword [en]
Electrical steel, Embrittlement, First-principles calculations, Ordered phases
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-227410DOI: 10.3938/jkps.72.737ISI: 000428268100016Scopus ID: 2-s2.0-85044338814OAI: oai:DiVA.org:kth-227410DiVA, id: diva2:1211044
Note

Export Date: 9 May 2018; Article; Correspondence Address: Kwon, S.K.; Graduate Institute of Ferrous Technology, Pohang University of Science and TechnologySouth Korea; email: sekk@postech.ac.kr; Funding details: 2014-03374; Funding details: STINT, Swedish Foundation for International Cooperation in Research and Higher Education; Funding details: VR, Vetenskapsrådet; Funding details: Carl Tryggers Stiftelse för Vetenskaplig Forskning; Funding details: SSF, Stiftelsen för Strategisk Forskning; Funding details: OTKA 109570, OTKA, Országos Tudományos Kutatási Alapprogramok; Funding details: FASI, Federal Agency for Science and Innovation; Funding details: NRF-2017R1A2A1A18071775, NRF, National Research Foundation of Korea; Funding text: This work was supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF-2017R1A2A1A18071775), the Swedish Research Council, the Swedish Foundation for Strategic Research, Sweden’s Innovation Agency (VIN-NOVA Grant No. 2014-03374), the Swedish Foundation for International Cooperation in Research and Higher Education, the Carl Tryggers Foundation, and the Hungarian Scientific Research Fund (OTKA 109570). QC 20180530

Available from: 2018-05-30 Created: 2018-05-30 Last updated: 2018-05-30Bibliographically approved

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