Theoretical studies of solid–solid interfaces

We review recent progresses in the theoretical studies on the structural, cohesive, mechanic and thermodynamic aspects of interfaces in solids. The technological developments for these studies are reviewed at first. In the next, we summarize the new achievements in the studies on the cohesive and structural properties of metal/metal, ceramic/metal and semiconductor interfaces by ab initio computations and molecular dynamics simulations. Then, the recent progresses in theoretical studies on the mechanics and thermodynamics of solid interfaces are discussed. Finally, an outlook for the future directions in the research field is proposed.