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The theory of rotational diffusion of particles of various symmetry embedded in a liquid crystal host, essential to interpret a variety of spectroscopic observables, has been available for some time, but only for the case of rigid molecules. Here we generalize the treatment and present a theory to describe the rotational diffusion of shape-changing particles dispersed in nematic liquid crystals. The interaction of the particles with the environment is modeled by an effective field potential, while the particles are allowed to assume an arbitrary discrete number of shapes. The transition between shapes is modeled by a Markovian process which is combined with rotational diffusion. Our model is applied to the simple case of a particle that can exchange between three shapes: a rod, a disk, and a sphere. We consider in detail the effect of shape transitions in some selected correlation functions which are relevant for experiments. [ABSTRACT FROM AUTHOR]

Nematic samples filling a flat cell or the annular region between two concentric cylinders with hybrid anchoring conditions at the boundaries are investigated by setting up and minimizing their Frank elastic free energy. The coupling with the surfaces is taken to be strong on one side and weak on the other. The equations are numerically solved and the conditions for which the molecular organization inside the cell becomes uniform are analyzed. The classical calculation performed by G. Barbero and R. Barberi [J. Phys. 44, 609 (1983)] is reproduced and investigated from a different point of view, in order to compare the results of planar and cylindrical geometries. The results suggest that the cylindrical cell presents some unusual features deserving a more complete investigation. Although most part of the transitional phenomena are found for K11>K33, a case not common for ordinary (lyotropic and thermotropic) liquid crystals, it is possible to find a completely uniform cell even for K11

The orientational order in a nematic liquid crystal sample confined to an annular region between two concentric cylinders is investigated by means of lattice Monte Carlo simulations. Strong anchoring and homeotropic orientations, parallel to the radial direction, are implemented at the confining surfaces. The elastic anisotropy is taken into account in the bulk interactions by using the pair potential introduced by Gruhn and Hess [T. Gruhn and S. Hess, Z. Naturforsch. A 51, 1 (1996)] and parametrized by Romano and Luckhurst [S. Romano, Int. J. Mod. Phys. B 12, 2305 (1998); Phys. Lett. A 302, 203 (2002); G. R. Luckhurst and S. Romano, Liq. Cryst. 26, 871 (1999)], i.e., the so-called GHRL potential. In the case of equal elastic constants, a small but appreciable deformation along the cylinder axis direction is observed, whereas when the values of K11/K33 if K22=K33 are low enough, all the spins in the bulk follow the orientation imposed by the surfaces. For larger values of K11/K33, spontaneous deformations, perpendicular to the polar plane, increase significantly. Our findings indicate that the onset of these deformations also depends on the ratio K22/K33 and on the radius of the cylindrical surfaces. Although expected from the elastic theory, no tangential component of the deformations was observed in the simulations for the set of parameters analyzed. [ABSTRACT FROM AUTHOR]

We present an investigation of the ordering in a nematic liquid-crystal film confined between two cylindrical surfaces with antagonistic (radial and planar) anchoring alignments. A Monte Carlo study of a Lebwohl-Lasher model with suitable boundary conditions has been performed to calculate the ordering and the molecular organization for different film thicknesses. The simulation results are compared with some theoretical predictions obtained with the elastic continuum approach. The agreement between theory and simulation is improved as the thickness decreases. [ABSTRACT FROM AUTHOR]

We employ Monte Carlo simulations to study the defects occurring in a nematic droplet formed by biaxial molecules. The simulations are carried out using a lattice model based on a dispersive orientational biaxial potential previously employed to establish the rich phase diagram of the system. The focus of the present investigation is on the molecular organization inside the droplet when bipolar and toroidal anchoring conditions at the surface are considered. In both cases, we describe how the defect structure arises in the system, and we analyze the behavior of the defect core region in connection with the elastic properties of the phase in a continuum theory perspective. [ABSTRACT FROM AUTHOR]