Orientational ordering of nanorods of different length in diblock copolymers

Osipov, M. A. and Kudryavtsev, Y. V. and Ushakova, A. S. and Berezkin, A. V. (2018) Orientational ordering of nanorods of different length in diblock copolymers. Liquid Crystals, 45 (13-15). pp. 2065-2073. ISSN 0267-8292

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    Orientational and positional ordering of nanorods in the lamellae phase of diblock copolymers has been investigated using a simple theoretical model and dissipative dynamics simulations. Orientational order parameter and local concentration profiles of nanorods are calculated numerically and extracted from computer simulations data for different values of the nanoparticle length and different number of the interaction sites in the model nanorod. The predictions of the molecular theory are compared with the results of computer simulations. It has been found that the nanorods are orientationally ordered in the boundary region between the domains and the orientational order parameter changes its sign at the domain wall. At the same time there exists some quantitative discrepancy between theory and computer simulations which is partially removed when a similar model of a nanorod is employed both in the molecular theory and in coarse-grained molecular dynamics simulations.