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• W4362604261 abstract "Steel is the most commonly manufactured material in the world. Its performances can be improved by hot-dip coating with the low weight aluminum metal. The structure of the Al∥Fe interface, which is known to contain a buffer layer made of complex intermetallic compounds such as Al5Fe2 and Al13Fe4, is crucial for the properties. On the basis of surface X-ray diffraction, combined with theoretical calculations, we derive in this work a consistent model at the atomic scale for the complex Al13Fe4(010)∥Al5Fe2(001) interface. The epitaxial relationships are found to be [130]Al5Fe2∥[010]Al13Fe4 and [1 1̅0]Al5Fe2 ∥[100]Al13Fe4. Interfacial and constrained energies, as well as works of adhesion, calculated for several structural models based on density functional theory, identify the lattice mismatch and the interfacial chemical composition as main factors for the stability of the interface. Molecular dynamics simulations suggest a mechanism of Al diffusion to explain the formation of the complex Al13Fe4 and Al5Fe2 phases at the Al∥Fe interface." @default.
• W4362604261 created "2023-04-06" @default.
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• W4362604261 date "2023-04-05" @default.
• W4362604261 modified "2023-10-16" @default.
• W4362604261 title "Revealing the Epitaxial Interface between Al₁₃Fe₄ and Al₅Fe₂ Enabling Atomic Al Interdiffusion" @default.
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• W4362604261 doi "https://doi.org/10.1021/acsami.2c22886" @default.
• W4362604261 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37018536" @default.
• W4362604261 hasPublicationYear "2023" @default.
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