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Phase ordering of zig-zag and bow-shaped hard needles in two dimensions.

dc.contributor.author Charbonneau, Patrick
dc.contributor.author Stark, Holger
dc.contributor.author Tavarone, R
dc.coverage.spatial United States
dc.date.accessioned 2017-08-23T15:52:05Z
dc.date.available 2017-08-23T15:52:05Z
dc.date.issued 2015-09-21
dc.identifier https://www.ncbi.nlm.nih.gov/pubmed/26395717
dc.identifier.uri https://hdl.handle.net/10161/15341
dc.description.abstract We perform extensive Monte Carlo simulations of a two-dimensional bent hard-needle model in both its chiral zig-zag and its achiral bow-shape configurations and present their phase diagrams. We find evidence for a variety of stable phases: isotropic, quasi-nematic, smectic-C, anti-ferromorphic smectic-A, and modulated-nematic. This last phase consists of layers formed by supramolecular arches. They create a modulation of the molecular polarity whose period is sensitively controlled by molecular geometry. We identify transition densities using correlation functions together with appropriately defined order parameters and compare them with predictions from Onsager theory. The contribution of the molecular excluded area to deviations from Onsager theory and simple liquid crystal phase morphology is discussed. We demonstrate the isotropic-quasi-nematic transition to be consistent with a Kosterlitz-Thouless disclination unbinding scenario.
dc.language eng
dc.relation.ispartof J Chem Phys
dc.relation.isversionof 10.1063/1.4930886
dc.title Phase ordering of zig-zag and bow-shaped hard needles in two dimensions.
dc.type Journal article
pubs.author-url https://www.ncbi.nlm.nih.gov/pubmed/26395717
pubs.begin-page 114505
pubs.issue 11
pubs.organisational-group Chemistry
pubs.organisational-group Duke
pubs.organisational-group Physics
pubs.organisational-group Trinity College of Arts & Sciences
pubs.publication-status Published
pubs.volume 143
dc.identifier.eissn 1089-7690


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