Evidence of T-type structures of hard square boards in capillary confinement.

We employ Onsager's second virial density functional theory combined with the Parsons-Lee theory within the restricted orientation (Zwanzig) approximation to examine the phase structure of hard square boards of dimensions (L×D×D) uniaxially confined in narrow slabs. Depending on the wall-to-wall separation (H), we predict a number of distinctly different capillary nematic phases, including a monolayer uniaxial or biaxial planar nematic, homeotropic with a variable number of layers, and a T-type structure. We determine that the favored phase is homotropic, and we observe first-order transitions from the homeotropic structure with n layers to n+1 layers as well as from homeotropic surface anchoring to a monolayer planar or T-type structure involving both planar and homeotropic anchoring at the pore surface.

Capillary-driven biaxial planar and homeotropic nematization of hard cylinders.

We use the Parsons-Lee modification of Onsager's second virial theory within the restricted orientation (Zwanzig) approximation to analyze the phase behavior of hard cylindrical rods confined in narrow pores. Depending on the wall-to-wall separation we predict a number of distinctly different surface-generated nematic phases, including a biaxial planar nematic with variable number of layers, a monolayer homeotropic, and a hybrid T-type structure (a planar layer combined with a homeotropic one). For narrow pores, we find evidence of two types of second-order uniaxial-biaxial transitions depending on the aspect ratio of the particles.

From n-layer planar ordering to the monolayer homeotropic structure of confined hard rods: The effect of shape anisotropy and wall-to-wall separation.

Using the Parsons-Lee theory, we examined the effect of shape anisotropy and the wall-to-wall separation (H) on the phase behavior of the hard parallelepiped rods with dimensions L, D, and D (L>D) in such narrow slitlike pores which only one homeotropic layer can form. The phase structures, including biaxiality, planar nematic layering transition as well as planar to homeotropic, were studied for some separations in the range 2.5D≤H≤10.

Demixing and tetratic ordering in some binary mixtures of hard superellipses.

We examine the fluid phase behavior of binary mixtures of hard superellipses using the scaled particle theory. The superellipse is a general two-dimensional convex object that can be tuned between the elliptical and rectangular shapes continuously at a given aspect ratio. We find that the shape of the particle affects strongly the stability of isotropic, nematic, and tetratic phases in the mixture even if the side lengths of both species are fixed.

Orientational ordering and layering of hard plates in narrow slitlike pores.

We examine the ordering behavior of hard platelike particles in a very narrow, slitlike pore using the Parsons-Lee density functional theory and the restricted orientation approximation. We observe that the plates are orientationally ordered and align perpendicularly (face-on) to the walls at low densities, a first-order layering transition occurs between uniaxial nematic structures having n and n+1 layers at intermediate densities, and even a phase transition between a monolayer with parallel (edge-on) orientational order and n layers with a perpendicular one can be detected at high densities. In addition to this, the edge-on monolayer is usually biaxial nematic, and a uniaxial-biaxial nematic phase transition can be also seen at very high densities.

Ordering transitions of weakly anisotropic hard rods in narrow slitlike pores.

The effect of strong confinement on the positional and orientational ordering is examined in a system of hard rectangular rods with length L and diameter D (L>D) using the Parsons-Lee modification of the second virial density-functional theory. The rods are nonmesogenic (L/D<3) and confined between two parallel hard walls, where the width of the pore (H) is chosen in such a way that both planar (particle's long axis parallel to the walls) and homeotropic (particle's long axis perpendicular to the walls) orderings are possible and a maximum of two layers is allowed to form in the pore. In the extreme confinement limit of H≤2D, where only one-layer structures appear, we observe a structural transition from a planar to a homeotropic fluid layer with increasing density, which becomes sharper as L→H.

Tracking three-phase coexistences in binary mixtures of hard plates and spheres.

The stability of demixing phase transition in binary mixtures of hard plates (with thickness L and diameter D) and hard spheres (with diameter σ) is studied by means of Parsons-Lee theory. The isotropic-isotropic demixing, which is found in mixtures of large spheres and small plates, is very likely to be pre-empted by crystallization. In contrast, the nematic-nematic demixing, which is obtained in mixtures of large plates and small spheres, can be stabilized at low diameter ratios (σ/D) and aspect ratios (L/D).