A parametric stochastic model of the morphology of thin polymer:fullerene films is developed. This model uses a number of tools from stochastic geometry and spatial statistics. The fullerene-rich phase is represented by random closed sets and the polymer-rich phase is given by their complement. The model has three stages. First, a point pattern is used to model the locations of fullerene-rich domains. Second, domains are formed at these points. Third, the domains are rearranged to ensure a realistic configuration. The model is fitted to polymer:fullerene films produced using seven different spin coating velocities and validated using a variety of morphological characteristics. The model is then used to simulate morphologies corresponding to spin velocities for which no empirical data exists. The viability of this approach is demonstrated using cross-validation.
|Modelling and Simulation in Materials Science and Engineering
|Published - 2 Apr 2015