Dipole strength effects on the polymorphism in smectic A mesophases
Author(s) -
Roberto Berardi,
Silvia Orlandi,
Demetri J. Photinos,
Alexandros G. Vanakaras,
Claudio Zani
Publication year - 2002
Publication title -
physical chemistry chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.053
H-Index - 239
eISSN - 1463-9084
pISSN - 1463-9076
DOI - 10.1039/b106788e
Subject(s) - dipole , polymorphism (computer science) , polar , materials science , density functional theory , crystallography , liquid crystal , chemical physics , condensed matter physics , chemistry , physics , computational chemistry , organic chemistry , optoelectronics , gene , biochemistry , genotype , astronomy
We study the eect of molecular dipole strength on the polymor- phism of smectic A liquid crystals using computer simulations and density functional theory. We nd, for a system of polar Gay{Berne particles with an o-centre axial dipole, a change in molecular organ- isation from non interdigitated to interdigitated (SAd) structure.
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