Orientational ordering of nanorods of different length in diblock copolymers

M. A. Osipov, Y. V. Kudryavtsev, A. S. Ushakova, A. V. Berezkin

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

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.

LanguageEnglish
Pages2065-2073
Number of pages8
JournalLiquid Crystals
Volume45
Issue number13-15
Early online date20 Sep 2018
DOIs
Publication statusE-pub ahead of print - 20 Sep 2018

Fingerprint

Nanorods
nanorods
Block copolymers
copolymers
Computer simulation
molecular theory
computerized simulation
simulation
Domain walls
lamella
domain wall
Molecular dynamics
molecular dynamics
Nanoparticles
nanoparticles
profiles
predictions
interactions

Keywords

  • diblock copolymers
  • lamellae phase
  • nanoparticles
  • Orientational order

Cite this

Osipov, M. A. ; Kudryavtsev, Y. V. ; Ushakova, A. S. ; Berezkin, A. V. / Orientational ordering of nanorods of different length in diblock copolymers. In: Liquid Crystals. 2018 ; Vol. 45, No. 13-15. pp. 2065-2073.
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Orientational ordering of nanorods of different length in diblock copolymers. / Osipov, M. A.; Kudryavtsev, Y. V.; Ushakova, A. S.; Berezkin, A. V.

In: Liquid Crystals, Vol. 45, No. 13-15, 20.09.2018, p. 2065-2073.

Research output: Contribution to journalArticle

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T1 - Orientational ordering of nanorods of different length in diblock copolymers

AU - Osipov, M. A.

AU - Kudryavtsev, Y. V.

AU - Ushakova, A. S.

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AB - 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.

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