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

Loading...
Thumbnail Image

Date

2015-09-21

Journal Title

Journal ISSN

Volume Title

Repository Usage Stats

133
views
217
downloads

Citation Stats

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.

Department

Description

Provenance

Subjects

Citation

Published Version (Please cite this version)

10.1063/1.4930886

Publication Info

Tavarone, Raffaele, Patrick Charbonneau and Holger Stark (2015). Phase ordering of zig-zag and bow-shaped hard needles in two dimensions. J Chem Phys, 143(11). p. 114505. 10.1063/1.4930886 Retrieved from https://hdl.handle.net/10161/15341.

This is constructed from limited available data and may be imprecise. To cite this article, please review & use the official citation provided by the journal.

Scholars@Duke

Charbonneau

Patrick Charbonneau

Professor of Chemistry

Professor Charbonneau studies soft matter. His work combines theory and simulation to understand the glass problem, protein crystallization, microphase formation, and colloidal assembly in external fields.


Unless otherwise indicated, scholarly articles published by Duke faculty members are made available here with a CC-BY-NC (Creative Commons Attribution Non-Commercial) license, as enabled by the Duke Open Access Policy. If you wish to use the materials in ways not already permitted under CC-BY-NC, please consult the copyright owner. Other materials are made available here through the author’s grant of a non-exclusive license to make their work openly accessible.