Coarse Grain Simulations of Block Copolymers: Directed Self-Assembly and Rheology
Block copolymer thin films are of considerable interest for fabrication of dense arrays of nanostructures. In the bulk, the palette of different structures of these materials include morphologies whose symmetry and length scale depend on block copolymer composition, chain architecture, incompatibility between blocks and molecular weight.
In thin films, boundary conditions can have a profound influence on the morphology and the equilibrium structure results of a subtle balance between interfacial and bulk contributions to the total free energy. In this talk we describe our efforts to predict equilibrium morphologies in thin films as well as rheological properties of block copolymers by using a coarse grain simulation approach.