We define a continuum energy functional that effectively interpolates between the mean-field Maier-Saupe energy and the continuum Landau-de Gennes energy functional and can describe both spatially homogeneous and inhomogeneous systems. In the mean-field approach the main macroscopic variable, the Q-tensor order parameter, is defined in terms of the second moment of a probability distribution function. This definition imposes certain constraints on the eigenvalues of the Q-tensor order parameter, which may be interpreted as physical constraints. We define a thermotropic bulk potential which blows up whenever the eigenvalues of the Q-tensor order parameter approach physically unrealistic values. As a consequence, the minimizers of this continuum energy functional have physically realistic order parameters in all temperature regimes. We study the asymptotics of this bulk potential and show that this model also predicts a first-order nematic-isotropic phase transition, whilst respecting the physical constraints. In contrast, in the Landau-de Gennes framework the Q-tensor order parameter is often defined independently of the probability distribution function, and the theory makes physically unrealistic predictions about the equilibrium order parameters in the low-temperature regime.

We study equilibrium liquid crystal configurations in three-dimensional geometries, within the continuum Landau-de Gennes theory. We obtain explicit bounds for the equilibrium scalar order parameters in terms of the temperature and material-dependent constants. We explicitly quantify the temperature regimes where the Landau-de Gennes predictions match and the temperature regimes where the Landau-de Gennes predictions do not match the probabilistic second-moment definition of theQ-tensor order parameter. The regime of agreement may be interpreted as the regime of validity of the Landau-de Gennes theory since the Landau-de Gennes theory predicts large values of the equilibrium scalar order parameters – larger than unity, in the low-temperature regime. We discuss a modified Landau-de Gennes energy functional which yields physically realistic values of the equilibrium scalar order parameters in all temperature regimes.

A planar bistable liquid crystal device, reported in Tsakonas et al. [Appl. Phys. Lett. 90, 111913 (2007)], is modeled within the Landau-de Gennes theory for nematic liquid crystals. This planar device consists of an array of square micrometer-sized wells. We obtain six different classes of equilibrium profiles and these profiles are classified as diagonal or rotated solutions. In the strong anchoring case, we propose a Dirichlet boundary condition that mimics the experimentally imposed tangent boundary conditions. In the weak anchoring case, we present a suitable surface energy and study the multiplicity of solutions as a function of the anchoring strength. We find that diagonal solutions exist for all values of the anchoring strength W$\geqslant${}0, while rotated solutions only exist for W$\geqslant${}Wc>0, where Wc is a critical anchoring strength that has been computed numerically. We propose a dynamic model for the switching mechanisms based on only dielectric effects. For sufficiently strong external electric fields, we numerically demonstrate diagonal-to-rotated and rotated-to-diagonal switching by allowing for variable anchoring strength across the domain boundary.

We theoretically and experimentally study nematic liquid crystal equilibria within shallow rectangular wells. We model the wells within a two-dimensional Oseen–Frank framework, with strong tangent anchoring, and obtain explicit analytical expressions for the director fields and energies of the ‘diagonal’ and ‘rotated’ solutions reported in the literature. These expressions separate the leading-order defect energies from the bulk distortion energy for both families of solutions. The continuum Oseen–Frank study is complemented by a microscopic mean-field approach. We numerically minimize the mean-field functional, including the effects of weak anchoring, variable order and random initial conditions. In particular, these simulations suggest the existence of higher-energy metastable states with internal defects. We compare our theoretical results to experimental director profiles, obtained using two types of filamentous virus particles, wild-type fd-virus and a modified stiffer variant (Y21M), which display nematic ordering in rectangular chambers, as found by confocal scanning laser microscopy. We combine our analytical energy expressions with experimentally recorded frequencies of the different equilibrium states to obtain explicit estimates for the extrapolation length, defined to be the ratio of the nematic elastic constant to the anchoring coefficient, of the fd-virus.

We numerically study structural transitions inside shallow sub-micrometre scale wells with square cross section, filled with nematic liquid crystal material. We model the wells within the Landau–de Gennes theory. We obtain two qualitatively different states: (i) the diagonal state with defects for relatively large wells with lateral dimension greater than a critical threshold and (ii) a new, two-dimensional star-like biaxial order reconstruction pattern called the well order-reconstruction structure (WORS), for wells smaller than the critical threshold. The WORS is defined by an uniaxial cross connecting the four vertices of the square cross section. We numerically compute the critical threshold in terms of the bare biaxial correlation length and study its dependence on the temperature and on the anchoring strength on the lateral well surfaces.