Interface Bonding Prediction System

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. Prediction of the interfaces between various oxides, and metals including elemental semiconductors and alloys, are explained in DOI: 10.51094/jxiv.192. The material varieties and model will be expanded in the simulation after every publication.

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Service may be unavailable every Wednesday from 18:00 to 20:00 (JST) due to scheduled system maintenance.