Nematic Ordering of Anisotropic Nanoparticles in Block Copolymers

Diaz, Javier, Pinna, Marco, Zvelindovsky, Andrei and Pagonabarraga, Ignacio (2021) Nematic Ordering of Anisotropic Nanoparticles in Block Copolymers. Advanced Theory and Simulations . ISSN 2513-0390

Full content URL: https://doi.org/10.1002/adts.202100433

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Nematic Ordering of Anisotropic Nanoparticles in Block Copolymers
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Abstract

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.

Keywords:Copolymer, Nanoparticles, nematic order, anisotropic particles
Subjects:F Physical Sciences > F200 Materials Science
F Physical Sciences > F162 Polymer Chemistry
G Mathematical and Computer Sciences > G150 Mathematical Modelling
F Physical Sciences > F343 Computational Physics
G Mathematical and Computer Sciences > G120 Applied Mathematics
Divisions:College of Science > School of Mathematics and Physics
ID Code:47553
Deposited On:13 Dec 2021 12:39

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