Numerical advances in Self-Consistenf Field Theory simulations of block copolymers: Applications to polymer lithography and evaporation-driven pattern selection

Carlos Garcia-Cervera
University of California, Santa Barbara (UC Santa Barbara)

I will discuss some recent developments in the numerical simulation of self-consistent field theory (SCFT) for block copolymers. I will focus on the following applications: * SCFT simulations of block copolymers laterally confined in a square well: Here we explore the conditions for which self-assembly in laterally confined thin block copolymer films results in tetragonal square arrays of standing up cylinders. More specifically, we study the equilibrium phase behavior of thin films composed of a blend of AB block copolymer and A homopolymer laterally confined in square wells. By using suitable homopolymer additives and appropriately sized wells, we observed square lattices of upright B cylinders that are not stable in pure AB block copolymer systems. Considering the potential application of such films in block copolymer lithography, we also conducted numerical SCFT simulations of the role of line edge roughness at the periphery of the square well on feature defect populations. Our results indicate that the tetragonal ordering observed under square confinement is robust to a wide range of boundary perturbations. * SCFT simulations of block copolymers on the surface of a sphere: In this model, we assume that the composition of the thin block copolymer film is independent of the radial direction. Using this approach we were able to study the phase separation process, and specifically the formation of defects in the lamellar and cylindrical phases, and its dependence on the radius of the sphere. * Evaporation-Induced Ordering in Block Copolymer Thin Films.

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