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Phase behavior and orientational ordering in block copolymers doped with anisotropic nanoparticles
M A Osipov1,2, M V Gorkunov3, A V Berezkin2
1Department of Mathematics and Statistics, University of Strathclyde, Glasgow G1 1XH, Scotland, United Kingdom.
Anisotropic nanoparticles spontaneously align within diblock copolymer phases, primarily at domain boundaries. This ordering, driven by nanoparticle-copolymer interactions, significantly impacts polymer nanocomposite properties.
Area of Science:
- Materials Science
- Polymer Science
- Nanotechnology
Background:
- Diblock copolymers self-assemble into ordered nanostructures.
- Anisotropic nanoparticles can influence polymer self-assembly and material properties.
Purpose of the Study:
- Investigate nanoparticle orientational ordering in copolymer phases.
- Determine the effect of nanoparticles on copolymer phase behavior.
- Explore potential applications in polymer nanocomposites.
Main Methods:
- Molecular field theory.
- Coarse-grained computer simulations using dissipative particle dynamics.
- Analysis of static structure factor.
Main Results:
- Anisotropic nanoparticles preferentially order at domain boundaries in lamellar and hexagonal copolymer phases.
- Nematic order parameter shows opposite signs in adjacent domains, induced by boundaries and specific interactions.
- Long and selective nanoparticles also order within domains.
- Phase diagrams reveal the influence of nanoparticle selectivity and concentration on phase stability and morphology.
Conclusions:
- Nanoparticle orientation is governed by copolymer domain structure and nanoparticle-copolymer interactions.
- Even small nanoparticle fractions can induce significant dielectric anisotropy in nanocomposites.
- Findings are crucial for designing advanced polymer nanocomposites with tailored properties.
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