Geometric Frustration Phases of Diblock Copolymers in Nanoparticles

The geometric frustration phases are investigated for diblock copolymers in nanoparticles with neutral surfaces using real-space self-consistent field theory. First, a rich variety of geometric frustration phases with specific symmetries are observed in the polymer nanoparticles with invariable diameters by constructing the phase diagrams arranged as the volume fraction and Flory−Huggins interaction parameter. Most of the space in the phase diagram is filled with phases with strong symmetries, such as spherical or cubic symmetries, while a number of asymmetric or axisymmetric phases are located in a narrow space in the diagram. Then the geometric frustration phases are examined systematically for the diblock copolymers with special polymer parameters, and a rich variety of novel frustration phases with multilayered structures are observed by varying the diameters of the nanoparticles. Furthermore, the investigations on the free energies indicate that the transitions between these frustrated phases are first-order, and the formation mechanism of the frustration phases is reasonably elucidated.