Abstract
A systematic approach is proposed to obtain the interfacial interatomic potentials. By inverting ab initio adhesive energy curves for the metal-MgO ceramic interfaces, We derive interfacial potentials between Ag and O 2−, Ag and Mg 2+, Al and O 2−, Al and Mg 2+. The interfacial potentials, obtained from this method, demonstrate general features of bondings between metal atoms and ceramic ions.
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