Biaxial Nematic Order in the Hard-boomerang Fluid

被引:106
作者
Teixeira, P. I. C. [1 ]
Masters, A. J. [2 ]
Mulder, B. M. [3 ]
机构
[1] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England
[2] Univ Manchester, Dept Chem, Manchester M13 9PL, Lancs, England
[3] FOM, Inst Atom & Mol Phys, NL-1098 SJ Amsterdam, Netherlands
来源
MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 1998年 / 323卷
关键词
Biaxial nematic phase; molecular theory; Onsager approximation;
D O I
10.1080/10587259808048440
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
We consider a fluid of hard boomerangs, each composed of two hard spherocylinders joined at their ends at an angle Psi. The resulting particle is nonconvex and biaxial. The occurence of nematic order in such a system has been investigated using Straley's theory, which is a simplificaton of Onsager's second-virial treatment of long hard rods, and by bifurcation analysis. The excluded volume of two hard boomerangs has been approximated by the sum of excluded volumes of pairs of constituent spherocylinders, and the angle-dependent second-virial coefficient has been replaced by a low-order interpolating function. At the so-called Landau point, Psi(Landau)approximate to 107.4 degrees, the fluid undergoes a continuous transition from the isotropic to a biaxial nematic (B) phase. For Psi not equal Psi(Landau) ordering is via a first-order transition into a rod-like uniaxial nematic phase (N+) if Psi > Psi(Landau), or a plate-like uniaxial nematic (N-) phase if Psi < Psi(Landau). The B phase is separated from the N+ and N- phases by two lines of continuous transitions meeting at the Landau point. This topology of the phase diagram is in agreement with previous studies of spheroplatelets and biaxial ellipsoids. We have checked the accuracy of our theory by performing numerical calculations of the angle-dependent second virial coefficient, which yields Psi(Landau)approximate to 110 degrees for very long rods, and Psi(Landau)approximate to 90 degrees for short rods. In the latter case, the I-N transitions occur at unphysically high packing fractions, reflecting the inappropriateness of the second-virial approximation in this limit.
引用
收藏
页码:167 / 189
页数:23
相关论文
共 54 条
[1]   PHASE-TRANSITIONS IN A FLUID OF BIAXIAL PARTICLES [J].
ALBEN, R .
PHYSICAL REVIEW LETTERS, 1973, 30 (17) :778-781
[2]  
Allen M. J., UNPUB
[3]   COMPUTER-SIMULATION OF A BIAXIAL LIQUID-CRYSTAL [J].
ALLEN, MP .
LIQUID CRYSTALS, 1990, 8 (04) :499-511
[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]  
BLAAK R, COMMUNICATION
[6]   SOLVABLE MODEL EXHIBITING A 1ST-ORDER PHASE-TRANSITION [J].
BOCCARA, N ;
MEJDANI, R ;
DESEZE, L .
JOURNAL DE PHYSIQUE, 1977, 38 (02) :149-151
[7]   BIAXIAL ORDER IN LIQUID-CRYSTALS AND THEIR MIXTURES - A POTTS-ISING MODEL [J].
CAFLISCH, RG ;
CHEN, ZY ;
BERKER, AN ;
DEUTCH, JM .
PHYSICAL REVIEW A, 1984, 30 (05) :2562-2567
[8]   Hard ellipsoid rod-plate mixtures: Onsager theory and computer simulations [J].
Camp, PJ ;
Allen, MP .
PHYSICA A, 1996, 229 (3-4) :410-427
[9]   Phase diagram of the hard biaxial ellipsoid fluid [J].
Camp, PJ ;
Allen, MP .
JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (16) :6681-6688
[10]   Demixing in hard ellipsoid rod-plate mixtures [J].
Camp, PJ ;
Allen, MP ;
Bolhuis, PG ;
Frenkel, D .
JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (22) :9270-9275