Molecular dynamics studies of thin-films of Sn on Cu

Using Molecular Dynamics, the evolution dynamics of Sn on the (111) and (100) surfaces of Cu have been investigated as a function of coverage and temperature. The interaction potentials are described by modified embedded atom method (MEAM) potentials. The calculated diffusion activation energies of Cu in Sn and Sn in Cu agree reasonably well with experimental values. The authors find that the structure of the overlayer depends on the morphology of the substrate and remains stable up to temperatures of the order of 75% of the melting temperature of the substrate at which diffusion of Sn into the substrate and Cu atoms onto the overlayer is observed