Published 2006 | Version v1
Journal article Metadata-only

Structure analysis of 4-octyl-4'-cyanobiphenyl liquid-crystalline free-standing film by molecular dynamics simulation

Creators

  • 1. Hachinohe National College of Technology, Japan (Japan). Dept. of Electrical and Computer Engineering
  • 2. Nagaoka University of Technology, Faculty of Engineering, Japan (Japan). Dept. of Electrical Engineering
  • 3. Musashi Institute of Technology, Japan (Japan). Dept. of Chemistry

Description

Molecular dynamics (MD) simulation was performed for 4-octyl-4'-cyanobiphenyl (8CB) liquid crystalline free-standing film (FSF) in order to understand its formation mechanism and structure. The free-standing film was successfully reproduced by MD simulation using the ordinary pairwise atom-atom potential parameters without any phenomenological constraints, therefore the free-standing film was concluded to be stabilized mainly by the intermolecular interaction between the liquid crystalline molecules. The simulation also provided preliminary information on phase transition temperatures, orientational order parameter, layer spacing and film thickness. The free-standing film showed the SmA phase in a higher and wider temperature range than the bulk. This result agrees with the transmission ellipsometry measurement for an analogue liquid crystal

Additional details

Publishing Information

Journal Title
Advances in Technology of Materials and Materials Processing Journal
Journal Volume
8
Journal Issue
2
Journal Page Range
p. 166-171
ISSN
1440-0731

INIS

Country of Publication
Australia
Country of Input or Organization
Australia
INIS RN
38059632
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
ANISOTROPY; CRYSTAL STRUCTURE; CRYSTAL-PHASE TRANSFORMATIONS; LIQUID CRYSTALS; MOLECULAR DYNAMICS METHOD; NUCLEAR PHYSICS; OCTANOLS; ORDER PARAMETERS; PHASE TRANSFORMATIONS; SIMULATORS
Descriptors DEC
ALCOHOLS; ANALOG SYSTEMS; CALCULATION METHODS; CRYSTALS; DIMENSIONLESS NUMBERS; FLUIDS; FUNCTIONAL MODELS; HYDROXY COMPOUNDS; LIQUIDS; ORGANIC COMPOUNDS; PHASE TRANSFORMATIONS; PHYSICS

Optional Information

Notes
20 refs., 9 figs.