Sharp-interface model for simulating solid-state dewetting in three dimensions

Abstract: The problem of simulating solid-state dewetting of thin films in three dimensions (3D) by using a sharp-interface approach is considered in this paper. Based on the thermodynamic variation, a speed method is used for calculating the first variation to the total surface energy functional. The speed method shares more advantages than the traditional use of parameterized curves (or surfaces), e.g., it is more intrinsic and its variational structure (related with Cahn-Hoffman $\boldsymbol{\xi}$-vector) is clearer and more direct. By making use of the first variation, necessary conditions for the equilibrium shape of the solid-state dewetting problem is given, and a kinetic sharp-interface model which includes the surface energy anisotropy is also proposed. This sharp-interface model describes the interface evolution in 3D which occurs through surface diffusion and contact line migration. By solving the proposed model, we perform lots of numerical simulations to investigate the evolution of patterned films, e.g., the evolution of a short cuboid and pinch-off of a long cuboid. Numerical simulations in 3D demonstrate the accuracy and efficacy of the sharp-interface approach to capture many of the complexities observed in solid-state dewetting experiments.