Monte Carlo simulations of rod-like Gay-Berne mesogens with transverse dipoles

被引：32

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：

INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 1999年 / 10卷 / 2-3期

关键词：

computer simulations; liquid crystals; dipolar systems;

D O I：

10.1142/S012918319900036X

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

We report the results of a Monte Carlo investigation of a system of rod-like particles interacting via the Gay-Berne potential with an embedded transverse dipole. We describe the effect that the dipole has on the molecular organization.

引用

页码：477 / 484

页数：8

共 15 条

[1] MONTE-CARLO STUDIES OF DIELECTRIC PROPERTIES OF WATER-LIKE MODELS [J].

BARKER, JA ;

WATTS, RO .

MOLECULAR PHYSICS, 1973, 26 (03) :789-792

[2] 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

[3]

BERARDI R, 1996, CHEM PHYS LETT, V261, P363

[4] PHASE-DIAGRAM AND ORIENTATIONAL ORDER IN A BIAXIAL LATTICE MODEL - A MONTE-CARLO STUDY [J].

BISCARINI, F ;

CHICCOLI, C ;

PASINI, P ;

SEMERIA, F ;

ZANNONI, C .

PHYSICAL REVIEW LETTERS, 1995, 75 (09) :1803-1806

[5]

CHANDRASEKARAN B, 1992, IEEE EXPERT, V7, P2

[6] SIMULATION OF ELECTROSTATIC SYSTEMS IN PERIODIC BOUNDARY-CONDITIONS 2. EQUIVALENCE OF BOUNDARY-CONDITIONS [J].

DELEEUW, SW ;

PERRAM, JW ;

SMITH, ER .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1980, 373 (1752) :57-66

[7] MODIFICATION OF THE OVERLAP POTENTIAL TO MIMIC A LINEAR SITE-SITE POTENTIAL [J].

GAY, JG ;

BERNE, BJ .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (06) :3316-3319

[8] Reaction-field and Ewald summation methods in Monte Carlo simulations of dipolar liquid crystals [J].

GilVillegas, A ;

McGrother, SC ;

Jackson, G .

MOLECULAR PHYSICS, 1997, 92 (04) :723-734

[9] Chain and ring structures in smectic phases of molecules with transverse dipoles [J].

GilVillegas, A ;

McGrother, SC ;

Jackson, G .

CHEMICAL PHYSICS LETTERS, 1997, 269 (5-6) :441-447

[10] Molecular dynamics simulation study of a liquid crystal model: Gay-Berne particles with transverse dipole moments [J].

Gwozdz, E ;

Brodka, A ;

Pasterny, K .

CHEMICAL PHYSICS LETTERS, 1997, 267 (5-6) :557-562

← 1 2 →