Commun. Comput. Phys., 14 (2013), pp. 443-460.


Discovery of New Metastable Patterns in Diblock Copolymers

Kai Jiang 1, Chu Wang 2, Yunqing Huang 3, Pingwen Zhang 2*

1 LMAM and School of Mathematical Sciences, Peking University, Beijing 100871, P.R. China; and Hunan Key Laboratory for Computation and Simulation in Science and Engineering, Xiangtan University, Xiangtan 411105, P.R. China.
2 LMAM and School of Mathematical Sciences, Peking University, Beijing 100871, P.R. China.
3 Hunan Key Laboratory for Computation and Simulation in Science and Engineering, Xiangtan University, Xiangtan 411105, P.R. China.

Received 15 August 2011; Accepted (in revised version) 11 October 2012
Available online 4 January 2013
doi:10.4208/cicp.150811.111012a

Abstract

The ordered patterns formed by microphase-separated block copolymer systems demonstrate periodic symmetry, and all periodic structures belong to one of 230 space groups. Based on this fact, a strategy of estimating the initial values of self-consistent field theory to discover ordered patterns of block copolymers is developed. In particular, the initial period of the computational box is estimated by the Landau-Brazovskii model as well. By planting the strategy into the whole-space discrete method, several new metastable patterns are discovered in diblock copolymers.

AMS subject classifications: 65M70, 76A15

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Key words: Metastable patterns, diblock copolymers, self-consistent field theory (SCFT), space group theory, initial values.

*Corresponding author.
Email: jiangkai@pku.edu.cn (K. Jiang), chu.wang.pku@gmail.com (C. Wang), huangyq@xtu.edu.cn (Y. Huang), pzhang@pku.edu.cn (P. Zhang)
 

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