The phase behaviour of cetyltrimethylammonium chloride surfactant aqueous solutions at high concentrations: An all-atom molecular dynamics simulation study

We explore the phase behaviour of aqueous solutions of the cetyltrimethyl ammonium chloride (CTAC) surfactant and in particular the transition from the micellar phase (L1) to the hexagonal columnar phase...

Tribological Behaviour of Alumina Ceramics with Nano TiO2 as a sintering aid in Non-Conformal Contact

The study emphasized the sintering behaviour and tribo-mechanical properties of alumina ceramics by nano TiO2 addition as a sintering aid. With increase in sintering temperature, the bulk density of alumina has increased gradually and optimized at 1600°C. The optimizing effect of densification at 1600°C is 98.25% by the addition of 1 wt.% nano TiO2. The maximum solid solubility of titania in alumina grains was at 1600°C, causes optimisation of densification by 1 wt. % addition. The excess addition of TiO2 formed low dense Al2TiO5, appear as a secondary phase at grain boundaries and does not significantly improved densification. Fracture toughness increases and coefficient of friction decreases with the addition of nano TiO2 in alumina matrix. The 1wt.% nano TiO2 addition improved hardness to 8.82% and reduces specific wear rate to 45.56%. The 1wt.% nano TiO2 addition greatly influenced the microstructure of sintered Al2O3. The morphology was sharply changed from hexagonal columnar shape to order sub round orientation which also directly impact the tribo-mechanical properties of sintered alumina. The 1wt.% addition substantially decreases wear track depth as observed by 3D surface profilometer. Microscopic observation of the worn-out surface showed that wearing is majorly caused by plastic deformation and abrasion.

Temperature-Dependent X-Ray Studies of Discotic Hexagonal Columnar Mesophases in Trinuclear Gold(I) Pyrazolate Complex

Gold(I) pyrazolate complex ([Au3Pz3]C10TEG) has been widely studied due to its interesting liquid crystalline properties by exhibiting the discotic hexagonal columnar arrangement. Generally, the liquid crystalline properties of the gold complex were confirmed based on their differential scanning calorimetry thermogram and polarized optical microscopy (POM) images. However, there is still no in-depth study on the phase transition in liquid crystals of [Au3Pz3]C10TEG especially on its structural change at variable temperature. In this study, the resulting liquid crystalline properties of [Au3Pz3]C10TEG upon being heated and cooled was extensively demonstrated via variable-temperature POM (VT-POM) and small angle X-ray scattering (VT-SAXS). Based on the VT-POM images, it was indicated that [Au3Pz3]C10TEG displayed a fan-shaped texture for typical arrangements of discotic hexagonal columnar of liquid crystals. Moreover, VT-SAXS results was in good agreement with the VT-POM images as it showed that [Au3Pz3]C10TEG might consist of two types of stacking system, which are ordered and disordered hexagonal discotic arrangements. Likewise, VT-SAXS analysis also demonstrated that hexagonal columnar mesophase of [Au3Pz3]C10TEG could be recovered even after the heating and cooling for two cycles.

Chromonic liquid crystals and packing configurations of bacteriophage viruses

We study equilibrium configurations of hexagonal columnar liquid crystals in the context of characterizing packing structures of bacteriophage viruses in a protein capsid. These are viruses that infect bacteria and are currently the focus of intense research efforts, with the goal of finding new therapies for bacteria-resistant antibiotics. The energy that we propose consists of the Oseen–Frank free energy of nematic liquid crystals that penalizes bending of the columnar directions, in addition to the cross-sectional elastic energy accounting for distortions of the transverse hexagonal structure; we also consider the isotropic contribution of the core and the energy of the unknown interface between the outer ordered region of the capsid and the inner disordered core. The problem becomes of free boundary type, with constraints. We show that the concentric, azimuthal, spool-like configuration is the absolute minimizer. Moreover, we present examples of toroidal structures formed by DNA in free solution and compare them with the analogous ones occurring in experiments with other types of lyotropic liquid crystals, such as food dyes and additives. This article is part of the theme issue ‘Topics in mathematical design of complex materials’.

Fluorescein-Bridged Perylene Bisimide Dimer for Use as Liquid Crystal: Studies on Mesomorphic and Fluorescence Properties

A novel fluorescein-bridged perylene bisimide (PBI) dimer for liquid crystal (LC) with geometrically symmetric structure was developed. The mesomorphic results indicated that the energetically stable and unstable conformers of fluorescein fragments could lead to the transformation of mesophases from a hexagonal columnar mesophase to an uncertain phase at 136.9 °C in heating, whilst a stable hexagonal columnar mesophase maintained between 175.6 °C and 58.6 °C in cooling. The selectively excited fluorescence characters in THF solution demonstrated that the fluorescence resonance energy transfer (FRET) effect between fluorescein fragments and PBI unites could provide a means to effectively impose strong fluorescence of the dimeric PBIs modified with suitable chromophore at the N-imide position, which alternatively serves as a platform for the further study of multi-functional PBI-based LCs.

Pillar[6]quinone: facile synthesis, crystal structures and electrochemical properties

Pillar[6]quinone has been synthesized for the first time by oxidation of pillar[6]arene, showing hexagonal columnar stacking in the solid state.

Ion polarisation-assisted hydrogen-bonded ferroelectrics in liquid crystalline domains

An alkylamide-substituted (−NHCOC10H21) hydrogen-bonded dibenzo[18]crown-6 derivative (1) was prepared to stabilise the ionic channel structure in a discotic hexagonal columnar (Colh) liquid crystal.