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Effect of magnetism on short-range order formation in Fe-Si and Fe-Al alloys
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Multiscale Materials Modelling.
2011 (English)In: International Conference on Solid-Solid Phase Transformations in Inorganic Materials, PTM 2010, 2011, 618-623 p.Conference paper (Refereed)
Abstract [en]

Short-range order formation in dilute Fe-Si and Fe-Al alloys has been investigated by statistical Monte Carlo simulations with effective interactions deduced from first principles calculations for different magnetic structures of bcc Fe. We find that the variation of the magnetic order from ferromagnetic to paramagnetic leads to significant changes in effective cluster interactions and, as follow, in short-range order parameters of alloys. It is shown in agreement with experiment the B2 type short-range order is formed above the Curie temperature, TC, while the D03 type short-range order is preferred below TC.

Place, publisher, year, edition, pages
2011. 618-623 p.
, Solid State Phenomena, ISSN 10120394
Keyword [en]
Induced magnetic anisotropy, Magnetism, Phase diagram, Short-range order, Effective cluster interactions, Effective interactions, Fe-Al alloys, First-principles calculation, Magnetic orders, Monte Carlo Simulation, Short range orders, Short-range order parameters, Alloys, Cerium alloys, Computer simulation, Crystal structure, Magnetic anisotropy, Monte Carlo methods, Paramagnetism, Phase diagrams, Phase transitions, Iron alloys
National Category
Materials Engineering
URN: urn:nbn:se:kth:diva-151164DOI: 10.4028/ 000303359700095ScopusID: 2-s2.0-79960924183ISBN: 9783037851432OAI: diva2:747675
International Conference on Solid-Solid Phase Transformations in Inorganic Materials, PTM 2010; Avignon; France; 6-11 June 2010

QC 20140917

Available from: 2014-09-17 Created: 2014-09-15 Last updated: 2014-09-17Bibliographically approved

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Ruban, Andrei V.
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Multiscale Materials Modelling
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