(53d) Self-Assembly of Ordered Networks in Block Copolymer Systems Using Coarse-Grained Simulations

Ordered network materials, such as the double gyroid, are comprised of two interwoven networks embedded in a matrix and can be formed via the self-assembly of block copolymers. These materials have the potential to revolutionize the synthesis of optical metamaterials due to their symmetry. However, a major obstacle in the utilization of these structures in novel applications is their limited thermodynamic stability. Here we study the self-assembly of block copolymers into gyroid morphologies using coarse-grained molecular simulation. We focus on the phase diagram of a non-frustrated triblock copolymer that can form two types of gyroid morphologies – the alternating gyroid, where each network is comprised of a different monomer, or the core-shell gyroid, where each network has two types of monomers. Consequently, in the alternating gyroid, network symmetry is broken, leading to an ordered phase with net chirality. We quantify the geometric topology of the morphologies and investigate the effect of varying block volume fraction to elucidate design rubrics for improving the thermodynamic stability of these phases.