KAUST Grant NumberKUS-C1-018-02
Online Publication Date2011-02-13
Print Publication Date2011-03
Permanent link to this recordhttp://hdl.handle.net/10754/598803
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AbstractTranslational and orientational excluded-volume fields encoded in particles with anisotropic shapes can lead to purely entropy-driven assembly of morphologies with specific order and symmetry. To elucidate this complex correlation, we carried out detailed Monte Carlo simulations of six convex space-filling polyhedrons, namely, truncated octahedrons, rhombic dodecahedrons, hexagonal prisms, cubes, gyrobifastigiums and triangular prisms. Simulations predict the formation of various new liquid-crystalline and plastic-crystalline phases at intermediate volume fractions. By correlating these findings with particle anisotropy and rotational symmetry, simple guidelines for predicting phase behaviour of polyhedral particles are proposed: high rotational symmetry is in general conducive to mesophase formation, with low anisotropy favouring plastic-solid behaviour and intermediate anisotropy (or high uniaxial anisotropy) favouring liquid-crystalline behaviour. It is also found that dynamical disorder is crucial in defining mesophase behaviour, and that the apparent kinetic barrier for the liquid-mesophase transition is much lower for liquid crystals (orientational order) than for plastic solids (translational order). © 2011 Macmillan Publishers Limited. All rights reserved.
CitationAgarwal U, Escobedo FA (2011) Mesophase behaviour of polyhedral particles. Nat Mater 10: 230–235. Available: http://dx.doi.org/10.1038/NMAT2959.
SponsorsThis work was supported by a Department of Energy Basic Energy Science Grant ER46517. This publication is based on work supported in part by award no. KUS-C1-018-02, made by King Abdullah University of Science and Technology (KAUST).
CollectionsPublications Acknowledging KAUST Support
- Effect of quenched size polydispersity on the ordering transitions of hard polyhedral particles.
- Authors: Agarwal U, Escobedo FA
- Issue date: 2012 Jul 14
- Phase behavior of colloidal hard tetragonal parallelepipeds (cuboids): a Monte Carlo simulation study.
- Authors: John BS, Escobedo FA
- Issue date: 2005 Dec 8
- Cubatic liquid-crystalline behavior in a system of hard cuboids.
- Authors: John BS, Stroock A, Escobedo FA
- Issue date: 2004 May 15
- Entropy-driven formation of chiral nematic phases by computer simulations.
- Authors: Dussi S, Dijkstra M
- Issue date: 2016 Apr 12
- Entropic self-assembly of freely rotating polyhedral particles confined to a flat interface.
- Authors: Thapar V, Hanrath T, Escobedo FA
- Issue date: 2015 Feb 28