Simulation on nanoscale self-assembly of ternary-epilayers

This paper simulates the self-assembly of a ternary epilayer on an elastic substrate. The phases coarsen to reduce the phase boundary energy and refine to reduce the elastic energy. They may order into nanoscale patterns to minimize the total free energy. We combine spinodal decomposition and surface stress into a continuum phase field model. A set of nonlinear diffusion equations couples the two concentration fields in the epilayer and the stress field in the substrate. An efficient simulation technique based on the Fast Fourier Transform and the semi-implicit method is developed. Numerical simulations reveal remarkably rich dynamics in the self-assembly of ternary epilayers and suggest significant degree of experimental control in the growth of nanoscale superlattices.