Phase behaviors of diblock copolymer-nanoparticle films under nanopore confinement

We employ self-consistent-field and density-functional theories to simulate the phase behaviors of diblock copolymer-nanoparticle mixtures confined in a two-dimensional circular pore. By varying the block ratio, the size of the pore, and the particle concentration, rich phase structures are discovered. It is shown that the structural frustration, the loss of conformational entropy of the polymer chains under confinement, the curvature of the pore, and the steric packing effect of the particles play important roles in determining the morphologies of the nanocomposites under circular confinement. It is found that the increase in the particle concentration can promote the transformation of concentric lamellas to the cylindrical domains. Our results suggest effective ways to stabilize the phase orderings of diblock copolymer-nanoparticle mixtures under two-dimensional circular confinement.