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First-principles prediction of the deformation modes in austenitic Fe-Cr-Ni alloys
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0001-7724-8299
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics. Department of Physics and Astronomy, University of Turku, Turku, Finland.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
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2016 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 108, no 8, 081903Article in journal (Refereed) PublishedText
Abstract [en]

First-principles alloy theory is used to establish the gamma-surface of Fe-Cr-Ni alloys as function of chemical composition and temperature. The theoretical stacking fault energy (SFE) versus chemistry and temperature trends agree well with experiments. Combining our results with the recent plasticity theory based on the gamma-surface, the stacking fault formation is predicted to be the leading deformation mechanism for alloys with effective stacking fault energy below similar to 18 mJ m(-2). Alloys with SFE above this critical value show both twinning and full slip at room temperature. Interestingly, twinning remains a possible deformation mode in addition to full slip even at elevated temperatures, in line with observations.

Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2016. Vol. 108, no 8, 081903
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-185657DOI: 10.1063/1.4942809ISI: 000373057000016ScopusID: 2-s2.0-84959378774OAI: oai:DiVA.org:kth-185657DiVA: diva2:923483
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research
Note

QC 20160426

Available from: 2016-04-26 Created: 2016-04-25 Last updated: 2016-04-26Bibliographically approved

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Li, WeiLu, SongKim, DongyooKokko, KaleviVitos, Levente
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