Monte Carlo simulation of discotic Gay-Berne mesogens with axial dipole

被引:50
作者
Berardi, R [1 ]
Orlandi, S [1 ]
Zannoni, C [1 ]
机构
[1] UNIV BOLOGNA,DIPARTIMENTO CHIM FIS & INORGAN,I-40136 BOLOGNA,ITALY
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1997年 / 93卷 / 08期
关键词
D O I
10.1039/a607571a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We have studied a system of N = 10(3) discotic particles with a central axial dipole using Monte Carlo computer simulations. We have investigated four temperatures corresponding to isotropic, nematic and columnar liquid-crystal phases determining the molecular and dipolar distributions and the length of the polar domains in the columns.
引用
收藏
页码:1493 / 1496
页数:4
相关论文
共 24 条
[1]   PERSISTENCE OF SHORT-RANGE ORDER IN THE FLUID PHASES OF A MESOGEN COPPER COMPLEX STUDIED BY EPR [J].
ALONSO, PJ ;
MARCOS, M ;
MARTINEZ, JI ;
ORERA, VM ;
SANJUAN, ML ;
SERRANO, JL .
LIQUID CRYSTALS, 1993, 13 (04) :585-596
[2]   Ferroelectric order in model discotic nematic liquid crystals [J].
Ayton, G ;
Patey, GN .
PHYSICAL REVIEW LETTERS, 1996, 76 (02) :239-242
[3]  
AZZOAZ M, 1993, MOL PHYS, V78, P1475
[4]  
BACCHIOCCHI C, UNPUB
[5]   Computer simulation studies of anisotropic systems .26. Monte Carlo investigations of a Gay-Berne discotic at constant pressure [J].
Bates, MA ;
Luckhurst, GR .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (17) :6696-6709
[6]   MONTE-CARLO INVESTIGATIONS OF A GAY-BERNE LIQUID-CRYSTAL [J].
BERARDI, R ;
EMERSON, APJ ;
ZANNONI, C .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1993, 89 (22) :4069-4078
[7]  
BERARDI R, 1996, CHEM PHYS LETT, V261, P363
[8]   FUNCTIONALIZATION OF DISCOTIC LIQUID-CRYSTALS BY DIRECT SUBSTITUTION INTO THE DISCOGEN RING - ALPHA-NITRATION OF TRIPHENYLENE-BASED DISCOGENS [J].
BODEN, N ;
BUSHBY, RJ ;
CAMMIDGE, AN .
LIQUID CRYSTALS, 1995, 18 (04) :673-676
[9]  
CHANDRASEKHAR S, 1982, ADV LIQ CRYST, V5, P47
[10]   SIMULATION OF ELECTROSTATIC SYSTEMS IN PERIODIC BOUNDARY-CONDITIONS .1. LATTICE SUMS AND DIELECTRIC-CONSTANTS [J].
DELEEUW, SW ;
PERRAM, JW ;
SMITH, ER .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1980, 373 (1752) :27-56