Abstract
The quantitative research of the surface properties of δ´ and δ precipitates is critical for exploring the microscopic mechanism of corrosion resistance of Al–Li alloys. Earlier calculation, however, fails to provide the accurate value of surface energy for non-stoichiometric surface of δ´ and δ precipitates. Herein, we employed two different methods to predict the surface energy of non-stoichiometric δ´ (100) surface and δ (100) stoichiometric surface quantitatively. Besides surface energy, the theoretical calculation of work function for δ´ and δ (100) surface is well in agreement with the experimental result. Solute Zr is not only in favor of segregation to δ´/Al interface, but also easily enters into the bulk interior of δ´ precipitate by substituting Li atom, improving the corrosion resistance of Al–Li alloy due to its comparatively high electronegative.
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Acknowledgements
The authors would like to thank for financial support from the Natural Science Foundation of Shandong Province (No. ZR2020KE012) and the Science and Technology Planning Project of Longkou City (Grant No. 2021KJJH025).
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Lou, SY., Bao, XJ. & Yao, JG. Computational analysis for the microscopic mechanism of corrosion resistance of δ´ and δ precipitates. Indian J Phys 98, 1707–1713 (2024). https://doi.org/10.1007/s12648-023-02947-x
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DOI: https://doi.org/10.1007/s12648-023-02947-x