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Formation of the smectic-B crystal from a simple monatomic liquid
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2013 (English)In: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, E-ISSN 1550-2376, Vol. 88, no 6, 062502- p.Article in journal (Refereed) Published
Abstract [en]

We report a molecular dynamics simulation demonstrating that the smectic-B crystalline phase (Cry-B), commonly observed in mesogenic systems of anisotropic molecules, can be formed by a system of identical particles interacting via a spherically symmetric potential. The Cry-B phase forms as a result of a first-order transition from an isotropic liquid phase upon isochoric cooling at appropriate number density. Its structure, determined by the design of the pair potential, corresponds to the Cry-B structure formed by elongated particles with the aspect ratio 1.8. The diffraction pattern and the real-space structure inspection demonstrate dominance of the ABC-type of axial layer stacking. This result opens a general possibility of producing smectic phases using isotropic interparticle interaction both in simulations and in colloidal systems.

Place, publisher, year, edition, pages
2013. Vol. 88, no 6, 062502- p.
Keyword [en]
Computer-Simulation, Phase, Systems, Model
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Identifiers
URN: urn:nbn:se:kth:diva-140149DOI: 10.1103/PhysRevE.88.062502ISI: 000328605400003Scopus ID: 2-s2.0-84890492070OAI: oai:DiVA.org:kth-140149DiVA: diva2:689122
Funder
Swedish eā€Science Research CenterSwedish Research Council
Note

QC 20140120

Available from: 2014-01-20 Created: 2014-01-17 Last updated: 2017-12-06Bibliographically approved

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Dzugutov, Michail
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Mathematics (Dept.)Centre for High Performance Computing, PDC
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