Reference : Isotropic-nematic transition and cholesteric phases of helical Yukawa rods

	Document type :	Scientific journals : Article
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics
	Focus Areas :	Physics and Materials Science
	To cite this reference:	http://hdl.handle.net/10993/29328

Title :	Isotropic-nematic transition and cholesteric phases of helical Yukawa rods
Language :	English
Author, co-author :	Kuhnhold, Anja [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
	Schilling, Tanja [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
Publication date :	17-Nov-2016
Journal title :	Journal of Chemical Physics
Publisher :	American Institute of Physics
Volume :	145
Issue/season :	194904
Peer reviewed :	Yes (verified by ORBilu)
Audience :	International
ISSN :	0021-9606
e-ISSN :	1089-7690
City :	New York
Country :	NY
Abstract :	[en] We present a Monte Carlo simulation study of helical Yukawa rods as a model for chiral liquid crystal mesogens.To simulate the cholesteric phase, we introduce a newsimulation method that uses softwalls and self-determined boundary conditions. We observe that the isotropic-nematic phase transition is shifted to lower volume fractions with decreasing salt concentration as well as with increasing internal pitch of the rods. For particular sets of interaction parameters, the sense of the cholesteric pitch inverts, i.e., depending on concentration, mesogens of a given handedness can produce cholesteric phases of both chiral senses.
Research centres :	University of Luxembourg: High Performance Computing - ULHPC
Permalink :	http://hdl.handle.net/10993/29328
DOI :	10.1063/1.4967718
FnR project :	FnR ; FNR8331546 > Jan Peter Felix Lagerwall > MISONANCE > Materials Innovation with Self-Ordered NanoCellulose: from fundamental physics of self-assembly to realization of commercially appealing functional films > 01/02/2015 > 31/01/2018 > 2014

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