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Role of Dynamical Asymmetry on the Orientation of Block Copolymers in Shear Flow: Computer Simulation and Experiment

Blagojevic, Niklas; Heck, Matthias 1; Wilhelm, Manfred 1; Müller, Marcus
1 Karlsruher Institut für Technologie (KIT)

Abstract:

The ability of diblock copolymers to self-assemble into periodic microstructures with length scales in the nanometer range offers many opportunities for fundamental research and applications. For practical applications, it is often desirable that the microstructures have a high degree of order on macroscopic length scales and are oriented in a desired direction. This can be achieved in a large volume by shearing the copolymer melt. In experiments, different orientations are observed depending on the copolymer characteristics and the applied shear conditions. However, details of the orientation mechanism under shear are not completely understood. Studying structurally and thermodynamically symmetric, lamellae-forming diblock copolymers by molecular simulation using a highly coarse-grained model, we analyze the effect of dynamical asymmetry on the stable orientation in steady-shear flow. We control the dynamical asymmetry via (i) the segmental friction in our dissipative particle dynamics DPD simulation or via (ii) slip springs, which mimic physical entanglements of the polymers. We study the kinetics of structure formation after a quench from the disordered state in the presence of shear and the ordering of a system, initially comprised of two orthogonally oriented lamellar grains, under shear. ... mehr


Verlagsausgabe §
DOI: 10.5445/IR/1000175753
Veröffentlicht am 29.10.2024
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Technische Chemie und Polymerchemie (ITCP)
Publikationstyp Zeitschriftenaufsatz
Publikationsdatum 10.09.2024
Sprache Englisch
Identifikator ISSN: 0024-9297, 1520-5835
KITopen-ID: 1000175753
Erschienen in Macromolecules
Verlag American Chemical Society (ACS)
Band 57
Heft 17
Seiten 8470–8486
Vorab online veröffentlicht am 28.08.2024
Nachgewiesen in Scopus
Web of Science
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