Lebwohl-Lasher model - theory

https://en.wikipedia.org/wiki/Soft_matter

https://en.wikipedia.org/wiki/Liquid_crystal

LIQUID CRYSTALS

Liquid crystals (LC) are a state of matter which has properties between those of conventional liquids and those of solid crystals. For instance, a liquid crystal may flow like a liquid, but its molecules may be oriented in a crystal-like way. LC molecules are similar to rods or discs. There are many different types of liquid-crystal phases:
nematic LC (orientational order only),
smectic LC (2D crystals),
columnar phases (1D crystals), etc.

LC systems are studied in 'soft matter physics', a subfield of 'condensed matter physics'.


increasing temperature →

crystal | liquid | gas          # not LC material (H2O)

crystal | smectic | nematic | isotropic liquid | gas   # thermotropic LC material

'|' denotes a phase transition.

LEBWOHL-LASHER MODEL

http://www.sklogwiki.org/SklogWiki/index.php/Lebwohl-Lasher_model

The Lebwohl-Lasher model is a lattice version of the Maier-Saupe mean field model of a nematic liquid crystal. A cubic lattice is occupied by uniaxial nematogenic particles with the pair potential H_ij.


H_ij = -ε P_2(cos θ_ij),

where ε > 0, 
θ_ij is the angle between the axes of nearest neighbour particles i and j, 
and P_2(x) = (3x^2-1)/2 is a second order Legendre polynomial.

For parallel particles H_ij = -ε P_2(1) = -ε.

Note that vectors \vec{n} and -\vec{n} describe the same particle orientation.

NEMATICS 2D


[1971 Straley] [1985 Frenkel Eppenga]
Square lattice 2D, vectors \vec{n} in the 2D orientational space,
periodic boundary conditions.

The existence of the true phase transition is discussed in the literature.

NEMATICS 3D


Cubic lattice 3D, vectors \vec{n} in 3D orientational space,
periodic boundary conditions.

The estimated isotropic-nematic transition temperature 
T_NI = 1.1232(6)   [1986 Fabbri Zannoni] 30x30x30 cubic lattice