COMPUTER-SIMULATION STUDIES OF THE DEPENDENCE ON DENSITY OF THE ORIENTATIONAL ORDER IN NEMATIC LIQUID-CRYSTALS

被引：34

作者：

EMSLEY, JW ^{[1
]}

LUCKHURST, GR ^{[1
]}

PALKE, WE ^{[1
]}

TILDESLEY, DJ ^{[1
]}

机构：

[1] UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106

来源：

LIQUID CRYSTALS | 1992年 / 11卷 / 04期

关键词：

D O I：

10.1080/02678299208029007

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Simulations of the temperature dependence of the nematic orientational order parameter, PBAR2, at different densities have been made using the Gay-Berne potential. The results are used to calculate GAMMA = -(partial derivative ln T/partial derivative ln V)PBAR2, which is a measure of the relative sensitivity of PBAR2 to temperature and density. Previous experimental measurements of GAMMA have obtained values in the range 2-6 for real nematogens, whilst the present simulations yield GAMMA = 8 +/- 1. Changing the Gay-Berne potential by increasing the steepness of the repulsive term increases the calculated value of GAMMA, whilst changing the relative well depths for side-by-side compared to end-to-end arrangements of Gay-Berne Berne particles leaves GAMMA virtually unchanged. These exploratory calculations suggest that GAMMA is a useful parameter for testing the parametrizations of model potentials.

引用

页码：519 / 530

页数：12

共 25 条

[11] PHASE-DIAGRAM OF HARD ELLIPSOIDS OF REVOLUTION [J].

FRENKEL, D ;

MULDER, BM ;

MCTAGUE, JP .

MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1985, 123 (1-4) :119-128

[12] 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

[13]

Haller I., 1975, Progress in Solid State Chemistry, V10, P103, DOI 10.1016/0079-6786(75)90008-4

[14]

HALLER I, 1989, THESIS U SOUTHAMPTON

[15] HIGH-PRESSURE MEASUREMENTS OF REFRACTIVE-INDEXES OF 2 NEMATIC LIQUID-CRYSTALS [J].

HORN, RG .

JOURNAL DE PHYSIQUE, 1978, 39 (02) :167-172

[16] MOLECULAR ALIGNMENT IN NEMATIC LIQUID-CRYSTALS - COMPARISON BETWEEN THE RESULTS OF EXPERIMENTS AT HIGH-PRESSURE AND PREDICTIONS BASED ON MEAN FIELD-THEORIES [J].

HORN, RG ;

FABER, TE .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1979, 368 (1733) :199-223

[17] COMPUTER-SIMULATION STUDIES OF ANISOTROPIC SYSTEMS .19. MESOPHASES FORMED BY THE GAY-BERNE MODEL MESOGEN [J].

LUCKHURST, GR ;

STEPHENS, RA ;

PHIPPEN, RW .

LIQUID CRYSTALS, 1990, 8 (04) :451-464

[18] COMPUTER-SIMULATION STUDIES OF ANISOTROPIC SYSTEMS .4. THE EFFECT OF TRANSLATIONAL FREEDOM [J].

LUCKHURST, GR ;

ROMANO, S .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1980, 373 (1752) :111-130

[19] TEMPERATURE DEPENDENCE OF ORIENTATIONAL ORDER IN A NEMATIC LIQUID-CRYSTAL AT CONSTANT MOLAR VOLUME [J].

MCCOLL, JR ;

SHIH, CS .

PHYSICAL REVIEW LETTERS, 1972, 29 (02) :85-&

[20]

MCOLL JR, 1972, PHYS LETT A, V38, P55

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