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research article

Nematic Ordering of Anisotropic Nanoparticles in Block Copolymers

Diaz, Javier
•
Pinna, Marco
•
Zvelindovsky, Andrei, V
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December 8, 2021
Advanced Theory And Simulations

Block copolymer melts have been previously used to control the position and alignment of anisotropic nanoparticles. In this work, 2D and 3D mesoscopic simulations are used to explore the phase behavior of block copolymer/nanoparticle systems. The method combines a time-dependent Ginzburg-Landau for the polymer and Brownian dynamics for the anisotropic nanoparticles. Rhomboidal and spheroidal shaped particles are simulated in two and three dimensions, respectively. It is found that the nanoparticle nematic order aligned by the block copolymer domains enhances the lamellar phase of the block copolymer, due to an anisotropy-driven phase transition. Additionally, anisotropic nanoparticles within circular-forming block copolymer leads to a competition between the nematic colloidal ordering and the hexagonally ordered mesophase. At large concentrations, the nematic order dominates, deforming the block copolymer mesophase.

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Type
research article
DOI
10.1002/adts.202100433
Web of Science ID

WOS:000730324700001

Author(s)
Diaz, Javier
Pinna, Marco
Zvelindovsky, Andrei, V
Pagonabarraga, Ignacio  
Date Issued

2021-12-08

Publisher

WILEY-V C H VERLAG GMBH

Published in
Advanced Theory And Simulations
Article Number

2100433

Subjects

Multidisciplinary Sciences

•

Science & Technology - Other Topics

•

block copolymers

•

nanorods

•

nanoparticles

•

nematic

•

polymers

•

simulations

•

cell-dynamics simulations

•

gold nanorods

•

nonuniform system

•

brownian-motion

•

phase-behavior

•

free-energy

•

composites

•

nanocomposites

•

equilibrium

•

nucleation

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
ISIC-GE  
Available on Infoscience
January 1, 2022
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/184175
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