Self-assembled morphologies of diblock copolymers confined in nanochannels: Effects of confinement geometry

The self-assembly of diblock copolymers confined in channels of various shaped cross sections is studied using a simulated annealing technique with the single-site bond fluctuation model. In the bulk, the asymmetric diblock copolymers used in this study form hexagonally packed cylinders with period L-0. The cross sections of the confining channels are of different shapes including regular triangles, rectangles, squares, regular hexagons, regular octagons, and ellipses. For a given geometry, the channel size (characterized by one or two lengths) is varied from very small to several times of L-0. It is found that the geometry and size of the confining channels have a large effect on the structure and symmetry of the self-assembled morphologies. Multiple packed cylinders with the symmetry of the confining channels are the major morphologies for low-symmetry cross sections such as triangle, rectangle, and square. More complex structures such as helices or stacked toroids spontaneously form when the confining channels are shaped such as a regular hexagon, a regular octagon, or an ellipse. The domain spacing of the self-assembled structures can be altered by the shape and size of the confining channels. Our results are consistent with available experiments. These results indicate that the self-assembled structures of block copolymers can be manipulated by the shape of the confining channels. (C) 2007 American Institute of Physics.