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• W1989166155 abstract "Adhesion at the interface between metals and oxides is strongly affected by the presence of impurities and dopants. We report a strategy for characterizing the influence of such species on adhesion through systematic first principles calculations. This is demonstrated for a technologically important interface that between a γ-Ni(Al) alloy and α-Al2O3. The effects on adhesion of stoichiometry, Al activity, impurities, and dopants are thoroughly examined, both in the bulk and at the interface. A surprising discovery is that doping with Hf provides several concurrent benefits, including an increase in the work of separation of the clean stoichiometric interface by a factor of 3." @default.
• W1989166155 created "2016-06-24" @default.
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• W1989166155 date "2008-04-07" @default.
• W1989166155 modified "2023-10-02" @default.
• W1989166155 title "First principles assessment of metal/oxide interface adhesion" @default.
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• W1989166155 doi "https://doi.org/10.1063/1.2907339" @default.
• W1989166155 hasPublicationYear "2008" @default.
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