AbstractAlthough a great deal of unique nanostructures were already obtained from polymer self-assemblies in terms of conventional parameters, the self-assembly under the confinement is still not well understood. Here, dissipative particle dynamics simulations were used to explore the self-assemble behaviors of linear ABC triblock copolymers under rigid spherical confinements. First several unusual morphologies, such as multilayer onion, coupled helix, and stacked lamella, were distinguished from the total 210 simulations. Second, the influences of three important parameters (block sequence, wall selectivity, and spherical radius) on the morphologies were discussed in detail. Finally, the dynamics evolution of several typical aggregates was examined. This simulation enriches micelle morphologies for the self-assembly of linear ABC triblock copolymers under rigid spherical confinements and is helpful to understand the formation of valuable nanostructures from linear ABC terpolymers.
Coarse-grained molecular dynamics study of the self-assembly of polyphilic bolaamphiphiles using the SAFT-γ Mie force field