[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.
Centre de recherche :
ULHPC - University of Luxembourg: High Performance Computing
Disciplines :
Physique
Auteur, co-auteur :
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
Co-auteurs externes :
no
Langue du document :
Anglais
Titre :
Isotropic-nematic transition and cholesteric phases of helical Yukawa rods
Date de publication/diffusion :
17 novembre 2016
Titre du périodique :
Journal of Chemical Physics
ISSN :
0021-9606
eISSN :
1089-7690
Maison d'édition :
American Institute of Physics, New York, Etats-Unis - New York
Volume/Tome :
145
Fascicule/Saison :
194904
Peer reviewed :
Peer reviewed vérifié par ORBi
Focus Area :
Physics and Materials Science
Projet FnR :
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
