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Block Copolymers Under Shear Flow
Author(s) -
Rychkov Igor
Publication year - 2005
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200400023
Subject(s) - shear flow , copolymer , brownian dynamics , symplectic geometry , hamiltonian (control theory) , shear (geology) , rheology , gaussian , statistical physics , molecular dynamics , phase transition , thermostat , complex fluid , classical mechanics , materials science , physics , brownian motion , thermodynamics , mathematics , mathematical analysis , quantum mechanics , polymer , mathematical optimization , composite material
Summary: Microphase separation transition in block copolymer melts and solutions in equilibrium and under shear flow is reviewed. The non‐equilibrium molecular dynamics (NEMD) computer simulation methodology is presented in detail including the derivation of the SLLOD equations of motion, Gaussian thermostat, and operator‐splitting symplectic integrators. Results of our recent NEMD computer simulation studies of diblock copolymers in a selective solvent under shear flow are presented. Shear‐dependent structural, rheological, and microscopical properties are described. New phase transitions are discovered. The parallel‐perpendicular orientational transition in a weak‐strong flow is revealed. Theoretical approaches are reviewed including the Edwards Hamiltonian, Landau‐Ginzburg model, self‐consistent mean field theory, field‐theoretic simulation, as well as the time‐dependent Landau‐Ginzburg framework and its application to the studies of complex fluids.