Handle URI:
http://hdl.handle.net/10754/598803
Title:
Mesophase behaviour of polyhedral particles
Authors:
Agarwal, Umang; Escobedo, Fernando A.
Abstract:
Translational 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.
Citation:
Agarwal U, Escobedo FA (2011) Mesophase behaviour of polyhedral particles. Nat Mater 10: 230–235. Available: http://dx.doi.org/10.1038/NMAT2959.
Publisher:
Springer Nature
Journal:
Nature Materials
KAUST Grant Number:
KUS-C1-018-02
Issue Date:
13-Feb-2011
DOI:
10.1038/NMAT2959
PubMed ID:
21317901
Type:
Article
ISSN:
1476-1122; 1476-4660
Sponsors:
This 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).
Appears in Collections:
Publications Acknowledging KAUST Support

Full metadata record

DC FieldValue Language
dc.contributor.authorAgarwal, Umangen
dc.contributor.authorEscobedo, Fernando A.en
dc.date.accessioned2016-02-25T13:41:32Zen
dc.date.available2016-02-25T13:41:32Zen
dc.date.issued2011-02-13en
dc.identifier.citationAgarwal U, Escobedo FA (2011) Mesophase behaviour of polyhedral particles. Nat Mater 10: 230–235. Available: http://dx.doi.org/10.1038/NMAT2959.en
dc.identifier.issn1476-1122en
dc.identifier.issn1476-4660en
dc.identifier.pmid21317901en
dc.identifier.doi10.1038/NMAT2959en
dc.identifier.urihttp://hdl.handle.net/10754/598803en
dc.description.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.en
dc.description.sponsorshipThis 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).en
dc.publisherSpringer Natureen
dc.titleMesophase behaviour of polyhedral particlesen
dc.typeArticleen
dc.identifier.journalNature Materialsen
dc.contributor.institutionCornell University, Ithaca, United Statesen
kaust.grant.numberKUS-C1-018-02en

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