Abstract
Microalloying elements play a crucial role in mechanical properties and phase stability of metallic alloys. In this work, we employ first-principles calculations and atomic-scale high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) to find promising microalloying elements that will improve the stability and properties of β"/Al interface and β" phase in Al–Mg-Si alloys. First, we define a substitution energy for evaluating the stability of β" phase and β"/Al interface with microalloying elements doped. Then, experiments of HAADF-STEM imaging are carried out to verify the calculational results. Next, using the most stable structures doped with microalloying elements, the mechanical properties of the β" bulk and the β"/Al interface were calculated and analyzed. At last, we have figured out the effects of all considered microalloying elements and obtained a rule that the stable occupancy of solute atoms is related to their own radius and the radius of Mg, Si, and Al. These findings will provide some theoretical basis for future microalloying strategies of Al–Mg-Si alloys.
Similar content being viewed by others
References
S. Pogatscher, H. Antrekowitsch, H. Leitner, T. Ebner, P.J. Uggowitzer, Acta Mater. 59, 3352 (2011)
J. Hirsch, T. Al-Samman, Acta Mater. 61, 818 (2013)
J. Hirsch, Trans. Nonferrous Met. Soc. China 24, 1995 (2014)
G.A. Edwards, K. Stiller, G.L. Dunlop, M.J. Couper, Acta Mater. 46, 3893 (1998)
J.H. Chen, E. Costan, M.A. van Huis, Q. Xu, H.W. Zandbergen, Science 312, 416 (2006)
Y.X. Lai, B.C. Jiang, C.H. Liu, Z.K. Chen, C.L. Wu, J.H. Chen, J. Alloys Compd. 701, 94 (2017)
S.J. Andersen, H.W. Zandbergen, J. Jansen, C. TrÆholt, U. Tundal, O. Reiso, Acta Mater. 46, 3283 (1998)
W.C. Yang, M.P. Wang, R.R. Zhang, Q. Zhang, X.F. Sheng, Scripta Mater. 62, 705 (2010)
H. Zandbergen, S. Andersen, J. Jansen, Science 277, 1221 (1997)
F. De Geuser, W. Lefebvre, D. Blavette, Philos. Mag. Lett. 86, 227 (2006)
A. Serizawa, S. Hirosawa, T. Sato, Metall. Mater. Trans. A 39, 243 (2008)
H.S. Hasting, A.G. Frøseth, S.J. Andersen, R. Vissers, J.C. Walmsley, C.D. Marioara, F. Danoix, W. Lefebvre, R. Holmestad, J. Appl. Phys. 106, 123527 (2009)
S. Wenner, L. Jones, C.D. Marioara, R. Holmestad, Micron 96, 103 (2017)
L.P. Ding, Z.H. Jia, J.F. Nie, Y.Y. Weng, L.F. Cao, H.W. Chen, X.Z. Wu, Q. Liu, Acta Mater. 145, 437 (2018)
T. Saito, F.J.H. Ehlers, W. Lefebvre, D. Hernandez-Maldonado, R. Bjørge, C.D. Marioara, S.J. Andersen, R. Holmestad, Acta Mater. 78, 245 (2014)
T. Saito, S. Wenner, E. Osmundsen, C.D. Marioara, S.J. Andersen, J. Røyset, W. Lefebvre, R. Holmestad, Philos. Mag. 94, 2410 (2014)
N.N. Jiao, Y.X. Lai, S.L. Chen, P. Gao, J.H. Chen, J. Mater. Sci. Technol. 70, 105 (2021)
E.A. Mørtsell, C.D. Marioara, S.J. Andersen, J. Røyset, O. Reiso, R. Holmestad, Metall. Mater. Trans. A 46, 4369 (2015)
E.A. Mørtsell, S.J. Andersen, J. Friis, C.D. Marioara, R. Holmestad, Philos. Mag. 97, 851 (2017)
T. Saito, F.J.H. Ehlers, W. Lefebvre, D. Hernandez-Maldonado, R. Bjørge, C.D. Marioara, S.J. Andersen, E.A. Mørtsell, R. Holmestad, Scripta Mater. 110, 6 (2016)
T. Saito, C.D. Marioara, J. Røyset, R. Holmestad, Mater. Sci. Forum. 794, 1014 (2014)
Y.Y. Weng, Z.H. Jia, L.P. Ding, Y.F. Pan, Y.Y. Liu, Q. Liu, J. Alloys Compd. 695, 2444 (2017)
Y.Y. Weng, L.P. Ding, Z.Z. Zhang, Z.H. Jia, B.Y. Wen, Y.Y. Liu, S. Muraishi, Y.Y. Li, Q. Liu, Acta Mater. 180, 301 (2019)
Y. Liu, Y.X. Lai, Z.Q. Chen, S.L. Chen, P. Gao, J.H. Chen, J. Alloys Compd. 885, 160942 (2021)
M.A. Van Huis, J.H. Chen, H.W. Zandbergen, M.H.F. Sluiter, Acta Mater. 54, 2945 (2006)
M.A. Van Huis, M.H.F. Sluiter, J.H. Chen, H.W. Zandbergen, Phys. Rev. B 76, 174113 (2007)
Z.R. Liu, J.H. Chen, S.B. Wang, D.W. Yuan, M.J. Yin, C.L. Wu, Acta Mater. 59, 7396 (2011)
B. Zhang, L.L. Wu, B. Wan, J.W. Zhang, Z.H. Li, H.Y. Gou, J. Mater. Sci. 50, 6498 (2015)
Y. Zhang, D.W. Yuan, J.H. Chen, G. Zeng, T.W. Fan, Z.R. Liu, C.L. Wu, L.H. Liu, J. Electron. Mate. 45, 4018 (2016)
F.J.H. Ehlers, S. Dumoulin, J. Alloys Compd. 591, 329 (2014)
J. Peng, S. Bahl, A. Shyam, J.A. Haynes, D. Shin, Acta Mater. 196, 747 (2020)
G. Kresse, D. Joubert, Phys. Rev. B 59, 1758 (1999)
G. Kresse, J. Hafner, Phys. Rev. B Condens. Matter. Mater. Phys. 47, 558 (1993)
J.P. Perdew, Y. Wang, Phys. Rev. B 45, 13244 (1992)
H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976)
F.H. Cao, J.X. Zheng, Y. Jiang, B. Chen, Y.R. Wang, T. Hu, Acta Mater. 164, 207 (2019)
L.H. Liu, Q.Q. Shao, T.W. Fan, D.W. Yuan, J.H. Chen, Comput. Mater. Sci. 198, 110707 (2021)
D.J. Siegel, L.G. Hector, J.B. Adams, Phys. Rev. B 65, 085415 (2002)
L.M. Liu, S.Q. Wang, H.Q. Ye, Acta Mater. 52, 3681 (2004)
W. Voigt, Lehrbuch der Kristallphysik (Taubner, Leipzig, 1928)
A. Reuss, Z. Angew, Math. Mech. 9, 49 (1929)
R. Hill, Proc. Phys. Soc. London. Sect. A 65, 349 (1952)
M. Lei, H. Ledbetter, Y.F. Xie, J. Appl. Phys. 76, 2738 (1994)
S.F. Pugh, Philos. Mag. 45, 823 (1954)
D.W. Zhou, J.S. Liu, S.H. Xu, P.P. Peng, Comput. Mater. Sci. 86, 24 (2014)
E.A. Brandes, Smithells metals reference book, 6th edn. (Butterworts, London, 2002)
F.J.H. Ehlers, R. Holmestad, Comp. Mater. Sci. 72, 146 (2013)
M. Born, K. Huang, M. Lax, Am. J. Phys. 23, 474 (1955)
Z.J. Wu, E.J. Zhao, H.P. Xiang, X.F. Hao, X.J. Liu, J. Meng, Phys. Rev. B 76, 054115 (2007)
Acknowledgements
This work is financially supported by the National Natural Science Foundation of China (Nos. 52001119, 51831004, and 52171006) and the Fundamental Research Funds for the Central Universities.
Author information
Authors and Affiliations
Corresponding authors
Ethics declarations
Conflict of interest
The authors state that there are no conflicts of interest to disclose.
Additional information
Available online at http://link.springer.com/journal/40195.
Rights and permissions
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
About this article
Cite this article
Chen, Z., Lai, Y., Liu, L. et al. Impacts of Microalloying Elements on the Hardening β"-Phase in Automotive AlMgSi Alloys. Acta Metall. Sin. (Engl. Lett.) 36, 495–506 (2023). https://doi.org/10.1007/s40195-022-01491-7
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s40195-022-01491-7