Effects of RE elements on metal/oxide interface adhesion from the first principles: the case of Y an

来源 :The 3rd International Symposium on Rare Earth Resource Utili | 被引量 : 0次 | 上传用户:sunhuai
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  Adhesion at the interface between metals and oxides can be strongly affected by the presence of RE elements.Here we report a first-principles based strategy for characterizing of the influence of RE elements on adhesion.This is demonstrated for a technologically important interface: γ-Ni(lll)/α-Al2O3(0001).The effects of temperature, interfacial stoichiometry, Al activity, impurity segregation and RE dopants are thoroughly examined, both in the bulk and at the interface.
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