Field-theoretic polymer simulations

A method is presented for numerically sampling functional integrals in field theory models of polymer solutions and melts. The approach effectively relaxes the mean-field approximation in self-consistent field theories of equilibrium polymer phases. Viewed from another perspective, the method provid...

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Bibliographic Details
Published in:Europhysics letters 2001-09, Vol.55 (6), p.814-820
Main Authors: Ganesan, V, Fredrickson, G. H
Format: Article
Language:English
Subjects:
61.25.Hq
61.41.+e
64.75.+g
Applied sciences
Exact sciences and technology
Organic polymers
Physicochemistry of polymers
Properties and characterization
Structure, morphology and analysis
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Summary:A method is presented for numerically sampling functional integrals in field theory models of polymer solutions and melts. The approach effectively relaxes the mean-field approximation in self-consistent field theories of equilibrium polymer phases. Viewed from another perspective, the method provides an alternative to conventional particle-based simulations of coarse-grained models of polymers. We demonstrate the technique by applying it to examine fluctuation effects on the order-disorder transition in symmetric diblock copolymer melts. Extensions to more complex polymer blends, copolymers, and solutions are outlined.
ISSN:0295-5075
1286-4854
DOI:10.1209/epl/i2001-00353-8