Orientational distribution functions and order parameters in "de Vries"-type smectics: a simulation study

Frank Jenz; Mikhail A. Osipov; Stefan Jagiella; Frank Giesselmann

doi:10.1063/1.4963660

Orientational distribution functions and order parameters in "de Vries"-type smectics: a simulation study

Frank Jenz, Mikhail A. Osipov, Stefan Jagiella, Frank Giesselmann

Mathematics And Statistics

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Abstract

Simple smectic A liquid crystal phases with different types of prescribed orientational distribution functions have been simulated and compared in order to study the possibility to distinguish between the Maier-Saupe type and cone-like orientational distributions using the popular method of Davidson et al. This method has been used to extract the orientational distribution functions from simulated diffraction patterns, and the results have been compared with actual distribution functions which have been prescribed during simulations. It has been shown that it is indeed possible to distinguish between these two qualitatively different types of orientational distribution already from the shape of the 2D diffraction pattern. Moreover, typical experimental diffraction patterns for ”de Vries”-type smectic liquid crystals appear to be close to the ones which have been simulated using the prescribed Maier-Saupe orientational distribution function.

Original language	English
Article number	134901
Number of pages	10
Journal	Journal of Chemical Physics
Volume	145
Issue number	13
DOIs	https://doi.org/10.1063/1.4963660
Publication status	Published - 4 Oct 2016

Keywords

liquid crystal
x-ray diffraction
order parameter
orientational distribution function

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10.1063/1.4963660

Jenz-etal-JCP-2016-Orientational-distribution-functions-and-order-parametersAccepted author manuscript, 4.18 MB

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title = "Orientational distribution functions and order parameters in {"}de Vries{"}-type smectics: a simulation study",

abstract = "Simple smectic A liquid crystal phases with different types of prescribed orientational distribution functions have been simulated and compared in order to study the possibility to distinguish between the Maier-Saupe type and cone-like orientational distributions using the popular method of Davidson et al. This method has been used to extract the orientational distribution functions from simulated diffraction patterns, and the results have been compared with actual distribution functions which have been prescribed during simulations. It has been shown that it is indeed possible to distinguish between these two qualitatively different types of orientational distribution already from the shape of the 2D diffraction pattern. Moreover, typical experimental diffraction patterns for ”de Vries”-type smectic liquid crystals appear to be close to the ones which have been simulated using the prescribed Maier-Saupe orientational distribution function.",

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author = "Frank Jenz and Osipov, {Mikhail A.} and Stefan Jagiella and Frank Giesselmann",

note = "This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. The following article appeared in Jenz, F., Osipov, M. A., Jagiella, S., & Giesselmann, F. (2016). Orientational distribution functions and order parameters in {"}de Vries{"}-type smectics: a simulation study. Journal of Chemical Physics, 145(13), 1-10. DOI: 10.1063/1.4963660",

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AU - Jenz, Frank

AU - Osipov, Mikhail A.

AU - Jagiella, Stefan

AU - Giesselmann, Frank

N1 - This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. The following article appeared in Jenz, F., Osipov, M. A., Jagiella, S., & Giesselmann, F. (2016). Orientational distribution functions and order parameters in "de Vries"-type smectics: a simulation study. Journal of Chemical Physics, 145(13), 1-10. DOI: 10.1063/1.4963660

PY - 2016/10/4

Y1 - 2016/10/4

N2 - Simple smectic A liquid crystal phases with different types of prescribed orientational distribution functions have been simulated and compared in order to study the possibility to distinguish between the Maier-Saupe type and cone-like orientational distributions using the popular method of Davidson et al. This method has been used to extract the orientational distribution functions from simulated diffraction patterns, and the results have been compared with actual distribution functions which have been prescribed during simulations. It has been shown that it is indeed possible to distinguish between these two qualitatively different types of orientational distribution already from the shape of the 2D diffraction pattern. Moreover, typical experimental diffraction patterns for ”de Vries”-type smectic liquid crystals appear to be close to the ones which have been simulated using the prescribed Maier-Saupe orientational distribution function.

AB - Simple smectic A liquid crystal phases with different types of prescribed orientational distribution functions have been simulated and compared in order to study the possibility to distinguish between the Maier-Saupe type and cone-like orientational distributions using the popular method of Davidson et al. This method has been used to extract the orientational distribution functions from simulated diffraction patterns, and the results have been compared with actual distribution functions which have been prescribed during simulations. It has been shown that it is indeed possible to distinguish between these two qualitatively different types of orientational distribution already from the shape of the 2D diffraction pattern. Moreover, typical experimental diffraction patterns for ”de Vries”-type smectic liquid crystals appear to be close to the ones which have been simulated using the prescribed Maier-Saupe orientational distribution function.

KW - liquid crystal

KW - x-ray diffraction

KW - order parameter

KW - orientational distribution function

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DO - 10.1063/1.4963660

M3 - Article

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VL - 145

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 13

M1 - 134901

ER -

Orientational distribution functions and order parameters in "de Vries"-type smectics: a simulation study

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