About InterChemBond
This system simulates the interface chemical bonding between polar surface of oxides (composed of oxygen and metal-A atoms) and metals-M.
- Principles of InterChemBond simulation Prediction of thermodynamic stability of differently terminating interfaces is used for the simulation, whose details are given in J. Vac. Sci. Technol. A 32 (2014) 021102 for the interfaces between alumina and metals. For the interface between alumina and aluminum-containg alloys, prediction method is given in International Journal of Metals, 2014 (2014) 20840. Prediction of the interface between alumina and alloy, not only aluminum-alloy but in general, is given based on Applied Surface Science, 442 (2018) 164. Prediction of the interfaces between ZnO and metals including Zn alloys are explained in J.Vac.Sci.Technol. A 39 (2021) 063217. The addition of 17 oxides is explained in 10.51094/jxiv.192. Prediction with interface reaction being considered, together with further addition of 64 oxides is explained in 10.51094/jxiv.339.
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