Calamitic and antinematic orientational order produced by the generalized Straley lattice model.

We consider here a classical model, consisting of D_{2h}-symmetric particles in a three-dimensional simple-cubic lattice; the pair potential is isotropic in orientation space, and restricted to nearest neighbors. The simplest potential model is written in terms of the squares of the scalar products between unit vectors describing the three interacting arms of the molecules, as proposed in previous literature. Two predominant antinematic couplings of equal strength (+1) are perturbed by a comparatively weaker calamitic one, parameterized by a coupling constant -z ranging in [-1,0]. This choice rules out thermodynamically stable phases endowed with macroscopic biaxiality. The antinematic terms favor states with the corresponding molecular axes mutually orthogonal. Although the low-temperature phase of the special case with null calamitic term (PP0) is uniaxial and antinematically ordered, in the general case presented here both Monte Carlo and molecular-field approaches show that, for z close to zero, the models exhibit a low-temperature uniaxial nematic phase, followed by an antinematic one, and finally by the orientationally disordered one. On the other hand, for sufficiently large values of z, we only find evidence of uniaxial calamitic behavior, as expected by following the limiting cases.

Antinematic orientational order produced by an extreme case of the generalized Straley lattice model.

We address here a special, extreme case of the quadratic pair interaction potential between classical, D(2h)-symmetric particles (the generalized Straley model) on a three-dimensional simple cubic lattice. The model involves predominant antinematic couplings and it has been studied by Monte Carlo simulation and a molecular field treatment. The obtained results show a second-order transition between the isotropic phase and the low-temperature one, exhibiting uniaxial antinematic order.

Steric effects in a mean-field model for polar nematic liquid crystals.

The existence of uniaxial liquid crystals comprising polar molecules, with all the dipoles aligned in a parallel pattern, is classically ruled out. Generally, there are two different avenues to a mean-field theory for liquid crystals: one is based on short-range, repulsive, steric forces, and the other is based on long-range, globally attractive, dispersion forces. Purely polar steric interactions have been shown to have the potential of inducing unexpected orientationally ordered states. In real molecules, anisotropies both in shape and in polarizability coexist; it has been shown that dispersion forces interaction can be combined with hard-core repulsion in a formal theory, based on a steric tensor. Starting from this, we build an interaction Hamiltonian featuring the average electric dipolar energy exchanged between molecules with the same excluded region. Under the assumption that the molecular shape is spheroidal, we propose a mean-field model for polar nematic liquid crystals which can exhibit both uniaxial and biaxial polar phases. By means of a numerical bifurcation analysis, we discuss the stability of the equilibrium against the choice of two model parameters, one describing the degree of molecular shape biaxiality and the other describing the relative orientation of the electric dipole within each molecule. We find only uniaxial stable phases, which are effectively characterized by a single scalar order parameter.

Dominant biaxial quadrupolar contribution to the nematic potential of mean torque.

Within the general quadrupolar model for biaxial nematic liquid crystals, whose potential of mean torque extends that in the Maier-Saupe theory with two extra interaction terms, we propose a quantitative criterion to identify the dominant biaxial interaction. We show that the ratio of the biaxial-to-uniaxial and uniaxial-to-isotropic transition temperatures is almost independent of one interaction parameter, thus indicating the other as dominant. We also show that there is a significant mismatch between the principal orientational order parameters predicted by the theory and those measured for the biaxial phase of a tetrapode.

Polar steric interactions for V-shaped molecules.

We consider the effect of shape polarity in the excluded-volume interaction between V -shaped polar particles in orientationally ordered phases. We show that the polar component of the steric interaction between these polar particles, large enough in two space dimensions, can also become important in three space dimensions. Unexpectedly, polar steric interactions, up to now neglected, favor an "antiparallel" pair binding, which may be the building block of orientationally ordered phases for polar particles. An antiferromorphic smectic ordering, which is also antiferroelectric, could further be attained at high enough density by the same mechanism.

Uniaxial rebound at the nematic biaxial transition.

Over the last few years, renewed interest has been raised by the simplified general interaction models proposed by Straley for mesogenic molecules possessing the D{2h} symmetry and capable of producing biaxial nematic order. It has already been shown that, in the presence of certain special symmetries, just two out of the four order parameters that are in general necessary, suffice for the description of a biaxial phase. For some other range of parameters, these reducing symmetries do not hold, and, moreover, a mean-field treatment has to be suitably changed into a minimax strategy, still producing a transition to a low-temperature biaxial phase. Upon studying the general parameter range, we identify as a common feature the behavior of a uniaxial order parameter, attaining a local minimum at the biaxial-to-uniaxial transition temperature, and recognizably increasing away from it. This finding is confirmed by a Monte Carlo simulation.

Universal mean-field phase diagram for biaxial nematics obtained from a minimax principle.

We study a class of quadratic Hamiltonians which describe both fully attractive and partly repulsive molecular interactions, characteristic of biaxial liquid crystal molecules. To treat the partly repulsive interactions we establish a minimax principle for the associated mean-field free energy. We show that the phase diagram described by Sonnet [Phys. Rev. E 67, 061701 (2003)] is universal. Our predictions are in good agreement with the recent observations on both V-shaped and tetrapodal molecules.

Nanomechanics of order reconstruction in nematic liquid crystals.

We employ a continuum model to compute both torque and force transmitted through a thin twist cell filled with a nematic liquid crystal and bounded by flat plates with anchorings at right angles. The transmitted torque vanishes at the order reconstruction threshold when the cell thickness is comparable with the biaxial coherence length. At the same point, the force diagram exhibits an angular point which disappears above a critical twist mismatch. Both torque and force diagrams against the cell's thickness fail to be monotonic when the total twist is near pi/2 .

Order reconstruction in frustrated nematic twist cells.

Within the Landau-de Gennes theory of liquid crystals, we study the equilibrium configurations of a nematic cell with twist boundary conditions. Under the assumption that the order tensor Q be uniaxial on both bounding plates, we find three separate classes of solutions, one of which contains the absolute energy minimizer, a twistlike solution that exists for all values of the distance d between the plates. The solutions in the remaining two classes exist only if d exceeds a critical value d(c). One class consists of metastable, twistlike solutions, while the other consists of unstable, exchangelike solutions, where the eigenvalues of Q are exchanged across the cell. When d=d(c), the metastable solution relaxes back to the absolute energy minimizer, undergoing an order reconstruction somewhere within the cell. The critical distance d(c) equals, in general, a few biaxial coherence lengths. This scenario applies to all the values of the boundary twist but pi/2, which thus appears as a very special case, though it is the one more studied in the literature. In fact, when the directors prescribed on the two plates are at right angles, two symmetric twistlike solutions merge continuously into an exchangelike solution at the critical value of d where the latter becomes unstable. Our analysis shows how the classical bifurcation associated with this phenomenon is unfolded by perturbing the boundary conditions.

Curvature effects on membrane-mediated interactions of inclusions.

We study the static, long-range interactions of inclusions embedded in lipid membranes. By using a two-dimensional model, we are able to determine explicitly the closed equilibrium shape of the membrane for any value of the distance between the inclusions; our results show that these shapes cannot be obtained by linearizing the equilibrium equations near a referential shape. Moreover, by computing the membrane-mediated force between the inclusions in given static conditions, we also detect the effects on the interactions due to the curvature and the closed geometry of the membrane.