Paper detail

Interplay of orientational order and roughness in simulated thin film growth of anisotropically interacting particles

Roughness and orientational order in thin films of anisotropic particles are investigated using kinetic Monte Carlo simulations on a cubic lattice. Anisotropic next-neighbor interactions between the lattice particles were chosen to mimic the effects of shape anisotropy in the interactions of disc- or rod-like molecules with van-der-Waals attractions. Increasing anisotropy leads first to a preferred orientation in the film (which is close to the corresponding equilibrium transition) while the qualitative mode of roughness evolution (known from isotropic systems) does not change. At strong anisotropies, an effective step-edge (Ehrlich-Schwoebel) barrier appears and a non-equilibrium roughening effect is found, accompanied by re-ordering in the film which can be interpreted as the nucleation and growth of domains of lying-down discs or rods. The information on order and roughness is combined into a diagram of dynamic growth modes.