H. Graf et H. Lowen, Density functional theory for hard spherocylinders: phase transitions in the bulk and in the presence of external fields, J PHYS-COND, 11(6), 1999, pp. 1435-1452
The phase behaviour of hard spherocylinders is calculated using the classic
al density functional theory of freezing. In particular, we construct a mod
ified weighted-density approximation and calculate the bulk phase diagram.
While the stability regime of the isotropic, nematic and smectic-A phases i
s in reasonable agreement with computer simulation data, the theory fails t
o describe the correct stability of the crystalline phases. Furthermore, we
investigate the phase behaviour in an external held coupling to the orient
ational degrees of freedom. As a result, bulk phases which have the same tr
anslational symmetry but a different orientational symmetry can be transfor
med continuously into each other above a critical strength of the external
field.