Efficiency of pseudo-spectral algorithms with Anderson mixing for the SCFT of periodic block-copolymer phases
Stasiak, P. and Matsen, M. (2011) Efficiency of pseudo-spectral algorithms with Anderson mixing for the SCFT of periodic block-copolymer phases. European Physical Journal E, 34 (10). p. 110. ISSN 1292-8941
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To link to this item DOI: 10.1140/epje/i2011-11110-0
This study examines the numerical accuracy, computational cost, and memory requirements of self-consistent field theory (SCFT) calculations when the diffusion equations are solved with various pseudo-spectral methods and the mean field equations are iterated with Anderson mixing. The different methods are tested on the triply-periodic gyroid and spherical phases of a diblock-copolymer melt over a range of intermediate segregations. Anderson mixing is found to be somewhat less effective than when combined with the full-spectral method, but it nevertheless functions admirably well provided that a large number of histories is used. Of the different pseudo-spectral algorithms, the 4th-order one of Ranjan, Qin and Morse performs best, although not quite as efficiently as the full-spectral method.