Molecular field theory predicts the induction of a smectic A phase by the application of a field, either magnetic or electric, to a nematic phase. This intriguing behavior results from an enhancement of the orientational order which is coupled to the translational order and so shifts the smectic A-nematic transition. To test this prediction we have investigated a system of Gay-Berne mesogenic molecules subject to an applied field of second rank using isothermal-isobaric Monte Carlo simulations. The results of our calculations are compared with the Kventsel-Luckhurst-Zewdie molecular field theory of smectogens, modified to include the effect of an external field. We have also used the simulations to explore the possibility of inducing more o...
We extend the Landau-de Gennes phenomenological model of the electric field induced isotropic-nemati...
The field-induced realignment of a smectic-A phase is in principle a complicated process involving t...
McMillan's mean field model of smectic A is extended so that the translational order parameter is no...
We report the results of a molecular dynamics computer simulation of particles interacting via the G...
We report a computer simulation study of systems of perfectly aligned molecules interacting through ...
We present the first computer simulation study of the Freederichsz transition in a nematic phase usi...
As an aid to understanding the mechanism for the field-induced alignment of the smectic A phase we h...
We present comprehensive results from constant NVT and constant NPT Monte Carlo simulations of parti...
Changes of molecular alignment due to the electric field are studied by constant temperature molecul...
In contrast to nematics far less is known about the alignment of the directors in a smectic A phase ...
The effect of chemical equilibria on the phase behaviour of mesogenic molecules which exhibit nemati...
In this thesis we present a sequence of four computer simulation studies of molecular systems compos...
Using Monte Carlo simulation methods, we explore the role of molecular shape in the phase behavior o...
We report results from a constant NVE molecular dynamics simulation of a 50:50 mixture of Gay-Berne ...
This work is concerned with theoretical models of fluids composed of anisotropic particles. Particu...
We extend the Landau-de Gennes phenomenological model of the electric field induced isotropic-nemati...
The field-induced realignment of a smectic-A phase is in principle a complicated process involving t...
McMillan's mean field model of smectic A is extended so that the translational order parameter is no...
We report the results of a molecular dynamics computer simulation of particles interacting via the G...
We report a computer simulation study of systems of perfectly aligned molecules interacting through ...
We present the first computer simulation study of the Freederichsz transition in a nematic phase usi...
As an aid to understanding the mechanism for the field-induced alignment of the smectic A phase we h...
We present comprehensive results from constant NVT and constant NPT Monte Carlo simulations of parti...
Changes of molecular alignment due to the electric field are studied by constant temperature molecul...
In contrast to nematics far less is known about the alignment of the directors in a smectic A phase ...
The effect of chemical equilibria on the phase behaviour of mesogenic molecules which exhibit nemati...
In this thesis we present a sequence of four computer simulation studies of molecular systems compos...
Using Monte Carlo simulation methods, we explore the role of molecular shape in the phase behavior o...
We report results from a constant NVE molecular dynamics simulation of a 50:50 mixture of Gay-Berne ...
This work is concerned with theoretical models of fluids composed of anisotropic particles. Particu...
We extend the Landau-de Gennes phenomenological model of the electric field induced isotropic-nemati...
The field-induced realignment of a smectic-A phase is in principle a complicated process involving t...
McMillan's mean field model of smectic A is extended so that the translational order parameter is no...