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Combined Al and C alloying enables mechanism-oriented design of multi-principal element alloys: Ab initio calculations and experiments

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Ikeda,  Yuji
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;
Institute of Materials Science, University of Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany;

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Körmann,  Fritz
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;
Department of Materials Science and Engineering, Delft University of Technology, Mekelweg 2, 2628 CD Delft, The Netherlands;

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Citation

Kies, F., Ikeda, Y., Ewald, S., Schleifenbaum, J. H., Hallstedt, B., Körmann, F., et al. (2020). Combined Al and C alloying enables mechanism-oriented design of multi-principal element alloys: Ab initio calculations and experiments. Scripta Materialia, 178, 366-371. doi:10.1016/j.scriptamat.2019.12.004.


Cite as: https://hdl.handle.net/21.11116/0000-0007-63B9-9
Abstract
Density functional theory (DFT) calculations were performed on AlxCyCoFeMnNi multi-principal element alloys (MPEAs) to understand the influence of Al and C on the stacking-fault energy (SFE). C addition to CoFeMnNi resulted in increased SFE, while it decreased in Al-alloyed CoFeMnNi. For experimental verification, Al0.26CyCoFeMnNi with 0, 1.37 and 2.70 at C were designed by computational thermodynamics, produced by additive manufacturing (AM) and characterized by tensile tests and microstructure analysis. Twinning-induced plasticity (TWIP) was enhanced with increased C, which confirmed a decreased SFE. The combination of these methods provides a promising toolset for mechanism-oriented design of MPEAs with advanced mechanical properties. © 2019 Acta Materialia Inc.