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Physical Review B

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Computational Materials Science (1)

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First-principles study of alloy stability and diffusion on aluminum alloy surfaces

Zhengqing Wei ^1,*, Inna Plyushchay ^2,†, Nebahat Bulut ^1,‡, and Sibylle Gemming ^1,3,§

¹Chemnitz University of Technology, Institute of Physics, Reichenhainer Strasse 70, 09126 Chemnitz, Germany
²Taras Shevchenko National University of Kyiv, Department of Metals Physics, 4 Academician Glushkov Avenue, 03127 Kyiv, Ukraine
³Chemnitz University of Technology, Research Center MAIN, Rosenbergstrasse 6, 09126 Chemnitz, Germany

^*Contact author: zhengqing.wei@physik.tu-chemnitz.de
^†Contact author: inna.plyushchay@gmail.com
^‡Contact author: nebahat.bulut@physik.tu-chemnitz.de
^§Contact author: sibylle.gemming@physik.tu-chemnitz.de

First principles insight into L12 precipitate formation in Al–Zr alloys

Inna Plyushchay, Zhengqing Wei, and Sibylle Gemming

Computational Materials Science 270 114783 (2026)

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ISSN 2469-9969 (online), 2469-9950 (print).

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