Article (Scientific journals)
Isotropic-nematic transition and cholesteric phases of helical Yukawa rods
Kuhnhold, Anja; Schilling, Tanja
2016In Journal of Chemical Physics, 145 (194904)
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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 center :
ULHPC - University of Luxembourg: High Performance Computing
Disciplines :
Physics
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
External co-authors :
no
Language :
English
Title :
Isotropic-nematic transition and cholesteric phases of helical Yukawa rods
Publication date :
17 November 2016
Journal title :
Journal of Chemical Physics
ISSN :
1089-7690
Publisher :
American Institute of Physics, New York, United States - New York
Volume :
145
Issue :
194904
Peer reviewed :
Peer Reviewed verified by ORBi
Focus Area :
Physics and Materials Science
FnR Project :
FNR8331546 - Materials Innovation With Self-ordered Nanocellulose: From Fundamental Physics Of Self-assembly To Realization Of Commercially Appealing Functional Films, 2014 (01/02/2015-31/01/2018) - Jan Peter Felix Lagerwall
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