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Combined atom probe tomography and density functional theory investigation of the Al off-stoichiometry of κ-carbides in an austenitic Fe-Mn-Al-C low density steel

Yao, M.J., Dey, P., Seol, J-B., Choi, P., Herbig, M., Marceau, R.K.W., Hickel, T., Neugebauer, J. and Raabe, D. 2016, Combined atom probe tomography and density functional theory investigation of the Al off-stoichiometry of κ-carbides in an austenitic Fe-Mn-Al-C low density steel, Acta materialia, vol. 106, pp. 229-238, doi: 10.1016/j.actamat.2016.01.007.

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Title Combined atom probe tomography and density functional theory investigation of the Al off-stoichiometry of κ-carbides in an austenitic Fe-Mn-Al-C low density steel
Author(s) Yao, M.J.
Dey, P.
Seol, J-B.
Choi, P.
Herbig, M.
Marceau, R.K.W.ORCID iD for Marceau, R.K.W. orcid.org/0000-0003-3612-8762
Hickel, T.
Neugebauer, J.
Raabe, D.
Journal name Acta materialia
Volume number 106
Start page 229
End page 238
Total pages 10
Publisher Elsevier
Place of publication Amsterdam, The Netherlands
Publication date 2016-03
ISSN 1359-6454
Keyword(s) Science & Technology
Technology
Materials Science, Multidisciplinary
Metallurgy & Metallurgical Engineering
Materials Science
Austenitic low density steel
Coherent precipitates
Off-stoichiometry
Atom probe tomography (APT)
Density functional theory (DFT)
MECHANICAL-PROPERTIES
SPINODAL DECOMPOSITION
HIGH-STRENGTH
QUANTITATIVE-ANALYSIS
MODULATED STRUCTURE
ORDERED CARBIDES
STACKING-FAULT
TRIPLEX STEELS
CARBON CONTENT
BINARY-ALLOYS
Summary We report on the investigation of the off-stoichiometry and site-occupancy of κ-carbide precipitates within an austenitic (γ), Fe-29.8Mn-7.7Al-1.3C (wt.%) alloy using a combination of atom probe tomography and density functional theory. The chemical composition of the κ-carbides as measured by atom probe tomography indicates depletion of both interstitial C and substitutional Al, in comparison to the ideal stoichiometric L′12 bulk perovskite. In this work we demonstrate that both these effects are coupled. The off-stoichiometric concentration of Al can, to a certain extent, be explained by strain caused by the κ/γ mismatch, which facilitates occupation of Al sites in κ-carbide by Mn atoms (MnγAl anti-site defects). The large anti-site concentrations observed by our experiments, however, can only be stabilized if there are C vacancies in the vicinity of the anti-site.
Language eng
DOI 10.1016/j.actamat.2016.01.007
Field of Research 091207 Metals and Alloy Materials
0912 Materials Engineering
0913 Mechanical Engineering
Socio Economic Objective 970109 Expanding Knowledge in Engineering
HERDC Research category C1 Refereed article in a scholarly journal
ERA Research output type C Journal article
Copyright notice ©2016, Acta Materialia Inc.
Persistent URL http://hdl.handle.net/10536/DRO/DU:30081373

Document type: Journal Article
Collection: Institute for Frontier Materials
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