Orientational ordering of nanorods in diblock copolymers

Osipov, Mikhail A.; Ushakova, A. S.; Gorkunov, M. V.

doi:10.1080/02678292.2017.1346826

Cited by 4 publications

(9 citation statements)

References 28 publications

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“…Such a procedure is cumbersome and computationally challenging. On the other hand, the numerical integration can be dramatically simplified by using the following interpolated mean-field potential [37] which is qualitatively valid in the whole range of z and θ:…”

Section: Molecular Theory Of Diblock Copolymer Nanocomposites Witmentioning

confidence: 99%

“…Symmetric nanoparticles also possess strong orientational order in the boundary region but their orientational order parameter S changes sign at the boundary. This sign reversal can be explained in the following way [37]. Let us consider a symmetric nnaoparticle located sufficiently close to the boundary.…”

Section: Order Parameter and Density Profiles Of Janus Nanopar-tmentioning

confidence: 99%

“…In our recent paper [37] the agreement between theory and computer simulations has been significantly improved by using a different model of a nanoparticle which is composed of two equal spherical interaction cites separated by a distance l. Similar to the nanoparticles employed in the computer simulations, the interaction between such a model particle and a monomer is not central and explicitly depends on the nanoparticle length. The molecular theory based on such a model yields sufficiently high values of the orientational order parameter and the anisometric nanoparticles are orintationally ordered in a broader interfacial region.…”

Section: Introductionmentioning

confidence: 99%

“…The molecular theory based on such a model yields sufficiently high values of the orientational order parameter and the anisometric nanoparticles are orintationally ordered in a broader interfacial region. However, from the application point of view, both composites considered theoretically in [35] and [37] have a common disadvantage. In both cases the nanoparticles are predominantly located in one of the blocks and as a result the fraction of nanoparticles, which are orientationslly ordered in the boundary region, appear to be rather small.…”

Section: Introductionmentioning

confidence: 99%

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Orientational ordering and spatial distribution of Janus nanoparticles in lamellae diblock copolymers

Osipov

Ushakova

2018

Journal of Molecular Liquids

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Section: Molecular Theory Of Diblock Copolymer Nanocomposites Witmentioning

confidence: 99%

Section: Order Parameter and Density Profiles Of Janus Nanopar-tmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Orientational ordering and spatial distribution of Janus nanoparticles in lamellae diblock copolymers

Osipov

Ushakova

2018

Journal of Molecular Liquids

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“…In our recent theoretical paper [38], a dumbbell NP has been considered, which is composed of two equal spheres separated by a certain distance and interacting individually with the monomers. Such a model NP possesses an anisotropic shape and is rather similar to the model NR, composed of several rigidly connected spheres, which was employed in the computer simulations [37].…”

Section: Introductionmentioning

confidence: 99%

Phase behavior and orientational ordering in block copolymers doped with anisotropic nanoparticles

et al. 2018

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This version is available at https://strathprints.strath.ac.uk/64399/ Strathprints is designed to allow users to access the research output of the University of Strathclyde. Unless otherwise explicitly stated on the manuscript, Copyright © and Moral Rights for the papers on this site are retained by the individual authors and/or other copyright owners. Please check the manuscript for details of any other licences that may have been applied. You may not engage in further distribution of the material for any profitmaking activities or any commercial gain. You may freely distribute both the url (https://strathprints.strath.ac.uk/) and the content of this paper for research or private study, educational, or not-for-profit purposes without prior permission or charge.Any correspondence concerning this service should be sent to the Strathprints administrator: strathprints@strath.ac.ukThe Strathprints institutional repository (https://strathprints.strath.ac.uk) is a digital archive of University of Strathclyde research outputs. It has been developed to disseminate open access research outputs, expose data about those outputs, and enable the management and persistent access to Strathclyde's intellectual output.Phase behaviour and orientational ordering in block copolymers doped with anisotropic nanoparticles. A molecular field theory and coarse grained computer simulations with dissipative particle dynamics have been used to study the spontaneous orientational ordering of anisotropic nanoparticles in the lamellae and hexagonal phases of diblock copolymers and the effect of nanoparticles on the phase behaviour of these systems. Both a molecular theory and computer simulations indicate that strongly anisotropic nanoparticles are ordered orientationally mainly in the boundary region between the domains, and the nematic order parameter possesses opposite signs in adjacent domains. The orientational order is induced by the boundary and by the interaction between nanoparticles and the monomer units in different domains. In simulations, sufficiently long and strongly selective nanoparticles order also inside the domains. Nematic order parameter and local concentration profiles of nanoparticles have been calculated numerically using the model of a nanoparticle with two interaction centres and also determined using the results of computer simulations. A number of phase diagrams have been obtained which illustrate the effect of nanoparticle selectivity and molar fraction of the stability ranges of various phases. Different morphologies have been identified by analysing the static structure factor and a phase diagram has been constructed in coordinates nanoparticle concentration -copolymer composition. Orientational ordering of even a small fraction of nanoparticles may result in a significant increase of the dielectric anisotropy of a polymer nanocomposite which is important for various applications.

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Orientational ordering of nanorods of different length in diblock copolymers

et al. 2018

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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.

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Orientational ordering of nanorods in diblock copolymers

Cited by 4 publications

References 28 publications

Orientational ordering and spatial distribution of Janus nanoparticles in lamellae diblock copolymers

Orientational ordering and spatial distribution of Janus nanoparticles in lamellae diblock copolymers

Phase behavior and orientational ordering in block copolymers doped with anisotropic nanoparticles

Orientational ordering of nanorods of different length in diblock copolymers

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