Improved numerical algorithm for exploring block copolymer mesophases

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. (C) 2002 Wiley Periodicals, Inc.