Morphology of Nanostructured Films for Environmental Applications: Simulation of Simultaneous Sintering and Growth

A sequential Brownian dynamics approach was used to establish the morphological evolution of a nanostructured particle deposit accounting for random diffusion, particle–particle and particle–surface interactions through van der Waals forces, and sintering of deposited particles. Monodisperse (30nm radius) titanium dioxide particles were used in the simulations. A linear sintering law rate expression was used to account for the decrease in total surface area of the deposit. Characteristics such as packing thickness, total surface area, and fractal dimension are reported as a function of time during the deposition process. Sintering resulted in higher fractal dimensions (as defined) for the deposits, and elevated temperatures resulted in more compact deposits.