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Mesoscopic Simulations of Lamellar Orientation in Block Copolymers
Author(s) -
Ren S. R.,
Hamley I. W.,
Sevink G. J. A.,
Zvelindovsky A. V.,
Fraaije J. G. E. M.
Publication year - 2002
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 - 10.1002/1521-3919(20020201)11:2<123::aid-mats123>3.0.co;2-m
Subject(s) - lamellar structure , mesoscopic physics , copolymer , materials science , shear (geology) , shear rate , polystyrene , perpendicular , dissipative particle dynamics , mechanics , composite material , condensed matter physics , rheology , physics , geometry , polymer , mathematics
Mesoscopic simulation techniques are employed to investigate lamellar orientation in block copolymers subjected to oscillatory shear. Dynamic mean‐field density functional theory (MesoDyn) is able to capture parallel lamellar and perpendicular lamellar states at low and higher shear rates. At higher shear rates a third orientation state is identified from cell dynamics and MesoDyn simulations, and corresponds to predominantly parallel‐aligned lamellae. This is explained on the basis of partial shear‐melting at higher shear rates. The results are compared to the lamellar alignment diagram obtained experimentally for polystyrene/polyisoprene block copolymers.