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

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

Research output: Contribution to journalArticle

6 Citations (Scopus)

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.
LanguageEnglish
Article number134901
Number of pages10
JournalJournal of Chemical Physics
Volume145
Issue number13
DOIs
Publication statusPublished - 4 Oct 2016

Fingerprint

Distribution functions
distribution functions
Diffraction patterns
diffraction patterns
simulation
liquid crystals
Smectic liquid crystals
Liquid Crystals
Cones
cones

Keywords

  • liquid crystal
  • x-ray diffraction
  • order parameter
  • orientational distribution function

Cite this

@article{4fa5767edb13464bb2e5c5d7ceedfadb,
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.",
keywords = "liquid crystal, x-ray diffraction, order parameter, orientational distribution function",
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",
year = "2016",
month = "10",
day = "4",
doi = "10.1063/1.4963660",
language = "English",
volume = "145",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
number = "13",

}

Orientational distribution functions and order parameters in "de Vries"-type smectics : a simulation study. / Jenz, Frank; Osipov, Mikhail A.; Jagiella, Stefan; Giesselmann, Frank.

In: Journal of Chemical Physics, Vol. 145, No. 13, 134901, 04.10.2016.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Orientational distribution functions and order parameters in "de Vries"-type smectics

T2 - Journal of Chemical Physics

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

UR - http://aip.scitation.org/journal/jcp/

U2 - 10.1063/1.4963660

DO - 10.1063/1.4963660

M3 - Article

VL - 145

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 13

M1 - 134901

ER -