Modeling self-assembly of diblock copolymer-nanoparticle composites

A cell dynamics method for domain separation of diblock copolymers (DBCPs) interacting with nanoparticles (NPs) whose diffusion coefficients depend on chain configuration is proposed for self-assembly of DBCP/NP composites. Increasing NP concentration slows down domain separation, but matching NP diffusion lengths and lamellar size of DBCPs reduces this effect. The model also explains features of different nanocomposites, such as morphological transitions induced by NPs, the coexistence of lamellar and hexagonal patterns in a single sample and peaked NP density profiles across the parallel domains.