Fast and accurate SCFT calculations for periodic block-copolymer morphologies using the spectral method with Anderson mixing |
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Authors: | M W Matsen |
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Institution: | (1) State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, 130022, People’s Republic of China;(2) Graduate University of the Chinese Academy of Sciences, Beijing, People’s Republic of China; |
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Abstract: | We study the numerical efficiency of solving the self-consistent field theory (SCFT) for periodic block-copolymer morphologies
by combining the spectral method with Anderson mixing. Using AB diblock-copolymer melts as an example, we demonstrate that
this approach can be orders of magnitude faster than competing methods, permitting precise calculations with relatively little
computational cost. Moreover, our results raise significant doubts that the gyroid (G) phase extends to infinite c \chi
N . With the increased precision, we are also able to resolve subtle free-energy differences, allowing us to investigate the
layer stacking in the perforated-lamellar (PL) phase and the lattice arrangement of the close-packed spherical ( S
cp phase. Furthermore, our study sheds light on the existence of the newly discovered Fddd ( O70 morphology, showing that conformational asymmetry has a significant effect on its stability. |
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