(640d) Efficient Mesoscale Simulation Model for Self-Assembly in Polymeric Systems

The self-assembly in various polymeric systems is the core principle to many of advanced nanotechnologies including energy applications. Success of most of these applications utilizing the self-assembly relies on how well one can adjust, and switch the shape, size and arrangement direction of self-assembled structures. While theoretical and numerical studies have provided valuable insights in understanding the underlying physical principles in the self-assembly of polymeric, often complicated interactions, non-flat free surface, high sensitivity on various system parameters, wide range of length and time scales related with self-assembled structures limit the usages of existing theoretical/numerical models. Moreover, many systems are in metastable states, thus kinetics, not just thermodynamics, plays a key role for the ability of a polymeric material to self-assemble into a desired state. In this presentation, I would like to present our efforts on overcoming the limitation of existing models and extending the scope of numerical approaches to describe experimentally observed microstructures, to predict new mesophases, to examine the suitability of different polymeric systems, as well as to provide the kinetic routes between various microphases in polymeric self-assembly.