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Polycrystalline thin films can be unstable with respect to island formation(agglomeration) through grooving where grain boundaries intersect the freesurface and/or thin film-substrate interface. We develop a phase-field model tostudy the evolution of the phases, composition, microstructure and morphologyof such thin films. The phase-field model is quite general, describingcompounds and solid solution alloys with sufficient freedom to choosesolubilities, grain boundary and interface energies, and heats of segregationto all interfaces. We present analytical results which describe the interfaceprofiles, with and without segregation, and confirm them using numericalsimulations. We demonstrate that the present model accurately reproduces thetheoretical grain boundary groove angles both at and far from equilibrium. Asan example, we apply the phase-field model to the special case of a Ni(Pt)Si(Ni/Pt silicide) thin film on an initially flat silicon substrate.Comment: 12 pages, 5 figures, submitted to Modelling Simulation Mater. Sci.  En

Phase-field model for grain boundary grooving in multi-component thin films