Epitaxial Transition from Gyroid to Cylinder in a Diblock Copolymer Melt

Abstract

An epitaxial transition from a bicontinious double gyroid to a hexagonally packed cylinder structure induced by an external flow is simulated using real-space dynamical self-consistent field technique. In order to simulate the structural change correctly, we introduce a system size optimization technique by which emergence of artificial intermediate structures are suppressed. When a shear flow in [111] direction of the gyroid unit cell is imposed, a nucleation and growth of the cylinder domains is observed. We confirm that the generated cylindrical domains grow epitaxially to the original gyroid domains as gyroid $d_{\{220\}}$ $\to$ cylinder $d_{\{10\}}$. In a steady state under the shear flow, the gyroid shows different reconnection processes depending on the direction of the velocity gradient of the shear flow. A kinetic pathway previously predicted using the self-consistent field theory where three fold junctions transform into five fold junctions as an intermediate state is not observed.