Improved numerical algorithm for exploring block copolymer mesophases

Abstract

We present an improved algorithm of the self-consistent mean-field implementation that has been recently proposed for the calculation of block copolymer self-assembly. Without requiring prior knowledge of the symmetry of the mesophase segregation, the algorithm is numerically stable and significantly faster than previously proposed methods. These advantages provide a valuable tool for combinatorial screening of novel stable and metastable structural phases of block copolymers. We apply the method and demonstrate complex mesophases in linear, asymmetric triblock copolymer melts. © 2002 Wiley Periodicals. Inc. J. Polym. Sci. Part B: Polym. Phys.