A strategy to explore stable and metastable ordered phases of block copolymers

Block copolymers with their rich phase behavior and ordering transitions have become a paradigm for the study of structured soft materials. A major challenge in the study of the phase behavior of block copolymers is to obtain different stable and metastable phases of the system. A strategy to discov...

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Published in:The journal of physical chemistry. B Vol. 117; no. 17; p. 5296
Main Authors: Xu, Weiquan, Jiang, Kai, Zhang, Pingwen, Shi, An-Chang
Format: Journal Article
Language:English
Published: United States 02.05.2013
ISSN:1520-5207, 1520-5207
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Abstract Block copolymers with their rich phase behavior and ordering transitions have become a paradigm for the study of structured soft materials. A major challenge in the study of the phase behavior of block copolymers is to obtain different stable and metastable phases of the system. A strategy to discover complex ordered phases of block copolymers within the self-consistent field theory framework is developed by a combination of fast algorithms and novel initialization procedures. This strategy allows the generation of a large number of candidate structures, which can then be used to construct phase diagrams. Application of the strategy is illustrated using ABC star triblock copolymers as an example. A large number of candidate structures, including many three-dimensionally ordered phases, of the system are obtained and categorized. A phase diagram is constructed for symmetrically interacting ABC star triblock copolymers.
AbstractList Block copolymers with their rich phase behavior and ordering transitions have become a paradigm for the study of structured soft materials. A major challenge in the study of the phase behavior of block copolymers is to obtain different stable and metastable phases of the system. A strategy to discover complex ordered phases of block copolymers within the self-consistent field theory framework is developed by a combination of fast algorithms and novel initialization procedures. This strategy allows the generation of a large number of candidate structures, which can then be used to construct phase diagrams. Application of the strategy is illustrated using ABC star triblock copolymers as an example. A large number of candidate structures, including many three-dimensionally ordered phases, of the system are obtained and categorized. A phase diagram is constructed for symmetrically interacting ABC star triblock copolymers.
Block copolymers with their rich phase behavior and ordering transitions have become a paradigm for the study of structured soft materials. A major challenge in the study of the phase behavior of block copolymers is to obtain different stable and metastable phases of the system. A strategy to discover complex ordered phases of block copolymers within the self-consistent field theory framework is developed by a combination of fast algorithms and novel initialization procedures. This strategy allows the generation of a large number of candidate structures, which can then be used to construct phase diagrams. Application of the strategy is illustrated using ABC star triblock copolymers as an example. A large number of candidate structures, including many three-dimensionally ordered phases, of the system are obtained and categorized. A phase diagram is constructed for symmetrically interacting ABC star triblock copolymers.Block copolymers with their rich phase behavior and ordering transitions have become a paradigm for the study of structured soft materials. A major challenge in the study of the phase behavior of block copolymers is to obtain different stable and metastable phases of the system. A strategy to discover complex ordered phases of block copolymers within the self-consistent field theory framework is developed by a combination of fast algorithms and novel initialization procedures. This strategy allows the generation of a large number of candidate structures, which can then be used to construct phase diagrams. Application of the strategy is illustrated using ABC star triblock copolymers as an example. A large number of candidate structures, including many three-dimensionally ordered phases, of the system are obtained and categorized. A phase diagram is constructed for symmetrically interacting ABC star triblock copolymers.
Author Xu, Weiquan
Shi, An-Chang
Zhang, Pingwen
Jiang, Kai
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