The Atomistic Structure of Metal/Ceramic Interfaces Is the Key Issue for Developing Better Properties

Metal-metal-, ceramic-metal-composites (MMC, CMC) and related functional materials are steadily gaining interest for practical applications. This invited overview paper is divided into three parts. First, the importance of interfaces in material science is emphasized, then basics of computer modeling of interfaces on atomic scale is outlined, followed by the description of some interface examples and their applications. Atomistic modeling requires the specific determination of the orientation relationship between both crystal lattices facing the heterogeneous interface, the interface plane, and translation vectors of two facing crystals. Examples of the atomistic structure are described in this paper for interfaces, such as MgO/Ag, MgO/TiN, Al2O3/Fe, and others. The trend in this research is gradually, but steadily shifting from structural towards functional materials, because atomic binding at interfaces offers a broad spectrum of new properties to be utilized for applications.