Shell with Striped, Helical, and Bipolar Lamellae Structures from Soft Confinement-Induced Self-Assembly of AB Diblock Copolymers on a Nanocylinder

The soft confinement-induced self-assembly of AB diblock copolymers on a nanocylinder is studied via a simulated annealing method. The formation of multiple copolymer shells was predicted by varying the interfacial interaction, the size of confinement, and the height and diameter of the nanocylinder. The competition between solvent repulsion and nanocylinder attraction determined the degree of encapsulation of the copolymer shell. The formation of a helical copolymer shell was induced by the maximization of conformational entropy. The preferential distribution position of copolymers on anisotropic nanocylinder surfaces was induced by interfacial energy minimization. Our study contributes to the understanding of the formation mechanism of the helical structure in block copolymer aggregates and the fabrication of copolymer shells with predesigned morphologies.