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Generalized stacking fault energy of gamma-Fe
Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, Stockholm, Sweden..
Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, Stockholm, Sweden..
Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, Stockholm, Sweden..
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2016 (English)In: Philosophical Magazine, ISSN 1478-6435, E-ISSN 1478-6443, Vol. 96, no 6, 524-541 p.Article in journal (Refereed) Published
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Abstract [en]

We investigate the generalized stacking fault energy ( [GRAPHICS] -surface) of paramagnetic [GRAPHICS] -Fe as a function of temperature. At static condition, the face-centred cubic (fcc) lattice is thermodynamically unstable with respect to the hexagonal close-packed lattice, resulting in a negative intrinsic stacking fault energy (ISF). However, the unstable stacking fault energy (USF), representing the energy barrier along the [GRAPHICS] -surface connecting the ideal fcc and the intrinsic stacking fault positions, is large and positive. The ISF is calculated to have a strong positive temperature coefficient, while the USF decreases monotonously with temperature. According to the recent plasticity theory, the overall effect of temperature is to move paramagnetic fcc Fe from the stacking fault formation regime ( [GRAPHICS] K) towards maximum twinning ( [GRAPHICS] K) and finally to a dominating full-slip regime ( [GRAPHICS] K). Our predictions are discussed in connection with the available experimental observations.

Place, publisher, year, edition, pages
2016. Vol. 96, no 6, 524-541 p.
Keyword [en]
-Fe, plasticity, stacking fault energy
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-283788DOI: 10.1080/14786435.2016.1140912ISI: 000372097300001OAI: oai:DiVA.org:uu-283788DiVA: diva2:919614
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research EU, European Research Council
Available from: 2016-04-14 Created: 2016-04-14 Last updated: 2017-11-30Bibliographically approved

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Johansson, BörjeVitos, Levente

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