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Predicting the stacking fault energy of austenitic Fe-Mn-Al (Si) alloys
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.
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.ORCID iD: 0000-0001-9317-6205
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2020 (English)In: Materials & design, ISSN 0264-1275, E-ISSN 1873-4197, Vol. 187, article id 108392Article in journal (Refereed) Published
Abstract [en]

Aluminum and silicon are common alloying elements for tuning the stacking fault energy (SFE) of high Mn steels. Today the theoretical investigations on the Fe-Mn-Al/Si systems using Density Functional Theory (DFT) are very scarce. In the present study, we employ a state-of-the-art longitudinal spin fluctuations (LSFs) model in combination with DFT for describing the magnetic effects in Fe-Mn based alloys at finite temperature. We find that the traditional DFT-floating spin results fail to explain the experimental trends. However, the DFT-LSFs approach properly captures the Al-induced increase and Si-induced decrease of the SFE of the base alloy in line with the room-temperature observations. This finding highlights the importance of LSFs in describing the Al/Si effects on the SEE of Fe-Mn based alloys. We point out that the effects of the non-magnetic Al and Si additions on the SEE are in fact determined by the magnetic state of the host matrix. In addition, we estimate the role of carbon addition in the alloying effects of Al and Si. The present results provide a convenient pathway to access the important mechanical parameters for designing advanced high-strength alloys.

Place, publisher, year, edition, pages
ELSEVIER SCI LTD , 2020. Vol. 187, article id 108392
Keywords [en]
Stacking-fault energy, Austenitic steel, first-principles calculation, Magnetism, Longitudinal spin fluctuation
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-267147DOI: 10.1016/j.matdes.2019.108392ISI: 000506652800021Scopus ID: 2-s2.0-85075802901OAI: oai:DiVA.org:kth-267147DiVA, id: diva2:1393457
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QC 20200217

Available from: 2020-02-17 Created: 2020-02-17 Last updated: 2022-06-26Bibliographically approved

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Choi, Young WonDong, ZhihuaLi, WeiSchönecker, StephanVitos, Levente

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