Phase behavior of disk-coil block copolymers under cylindrical confinement: Curvature-induced structural frustrations

In this paper, we explore the self-assembly behavior of disk-coil block copolymers (BCPs) confined within a cylinder using molecular dynamics simulations. As functions of the diameter of the confining cylinder and the number of coil beads, concentric lamellar structures are obtained with a different number of alternating disk-rich and coil-rich bilayers. Our paper focuses on the curvature-induced structural behavior in the disk-rich domain of a self-assembled structure, which is investigated by calculating the local density distribution P(r) and the orientational distribution G(r,θ). In the inner layers of cylinder-confined disk-coil BCPs, both P(r) and G(r,θ) show characteristic asymmetry within a bilayer which is directly contrasted with the bulk and slab-confined disk-coil BCPs. We successfully explain the structural frustration of disks arising from the curved structure due to packin…