Anomalous dielectric behavior in the nematic and isotropic phases of a strongly polar–weakly polar binary system

We report permittivity studies in the isotropic liquid and anisotropic liquid crystalline (nematic or N) phases of a binary system, in which one component has molecules with a strongly polar longitudinal group, and the other has a weakly polar transverse group. The dielectric constant in the isotropic phase as well as its anisotropy in the N phase show, surprisingly, an anomalous non-monotonic dependence with concentration having a peak-like behavior for 10.2 mol% concentration of the weakly polar constituent. The transition between the two phases, being weakly first order, exhibits pretransitional effects signifying the appearance of the N-like regions in the isotropic phase. The coordinates of the maximum point of the convex shaped temperature-dependence of the dielectric constant in the isotropic phase, characteristic of strongly polar systems, also exhibit a non-monotonic dependence with concentration. Possible causes for these observations are discussed.     

Surface phonon–polaritons in rectangular quantum wires of polar ternary mixed crystals

In this paper, the dispersion relations of surface phonon–polaritons in freestanding rectangular quantum wire systems of polar ternary mixed crystals are derived. The numerical calculations for Al_xGa_1−xAs and Zn_xCd_1−xSe quantum wire systems are performed. The results reveal that the frequencies of surface phonon–polariton modes are sensitive to the geometric structures of the quantum wires, the wave-vectors in z-direction, and the compositions of the ternary mixed crystal materials. The effects of the “two-mode” and “one-mode” behaviors of the ternary mixed crystals on the surface phonon–polariton modes are also discussed.     

Refractive index and orientational order parameter of a polar–polar binary system showing induced smectic Ad and re-entrant nematic phases

Refractive index measurements have been done on a polar–polar binary system, 4-cyanophenyl [4′(4″-n-heptylphenyl)] benzoate (7CPB)?+?4-cyanophenyl-4-nonylbenzoate (9.CN), exhibiting nematic–smectic A_d–re-entrant nematic phase sequence using thin prism technique. From refractive index as well as density data, the polarizability anisotropy in the mesomorphic state has been calculated from the standard Vuks model and the orientational order parameter (?P ₂?) values have been determined. By measuring the refractive indices and density in the solid phase, the validity of the Haller's extrapolation method for systems having higher order phases has been verified. The temperature variation of the density, birefringence, and ?P ₂? values at the nematic–smectic A_d and smectic A_d–re-entrant nematic transitions for all the mixtures are found to be continuous. The experimental ?P ₂? values have been compared with our previous X-ray data and also those calculated from the Luckhurst and Timimi model.     

Near equilibrium dynamics and one-dimensional spatial–temporal structures of polar active liquid crystals

We systematically explore near equilibrium, flow-driven, and flow-activity coupled dynamics of polar active liquid crystals using a continuum model. Firstly, we re-derive the hydrodynamic model to ensure the thermodynamic laws are obeyed and elastic stresses and forces are consistently accounted. We then carry out a linear stability analysis about constant steady states to study near equilibrium dynamics around the steady states, revealing long-wave instability inherent in this model system and how active parameters in the model affect the instability. We then study model predictions for onedimensional(1D) spatial–temporal structures of active liquid crystals in a channel subject to physical boundary conditions.We discuss the model prediction in two selected regimes, one is the viscous stress dominated regime, also known as the flow-driven regime, while the other is the full regime, in which all active mechanisms are included. In the viscous stress dominated regime, the polarity vector is driven by the prescribed flow field. Dynamics depend sensitively on the physical boundary condition and the type of the driven flow field. Bulk-dominated temporal periodic states and spatially homogeneous states are possible under weak anchoring conditions while spatially inhomogeneous states exist under strong anchoring conditions. In the full model, flow-orientation interaction generates a host of planar as well as out-of-plane spatial–temporal structures related to the spontaneous flows due to the molecular self-propelled motion. These results provide contact with the recent literature on active nematic suspensions. In addition, symmetry breaking patterns emerge as the additional active viscous stress due to the polarity vector is included in the force balance. The inertia effect is found to limit the long-time survival of spatial structures to those with small wave numbers, i.e., an asymptotic coarsening to long wave structures. A rich set of mechanisms for generating and limiting the flow structures as well as the spatial–temporal structures predicted by the model are displayed.     

High yield synthesis of Ni-BTC metal–organic framework with ultrasonic irradiation: Role of polar aprotic DMF solvent

Nickel based porous solid was synthesized with 20 kHz ultrasonic irradiation. The reaction of Ni(II) nitrate hexahydrate with 1,3,5-benzene tricarboxylic acid in N,N-Dimethylformamide (DMF) as the sole solvent under ultrasonic radiation produced porous Ni-BTC MOF. Choice of correct solvent for the ultrasonic treatment was proven important. The effect of varying ultrasonic powers (40%, 60% and 80% of 750 W) along with different temperature conditions (50 °C, 60 °C, 70 °C and 80 °C) influenced the respective yield. A very high yield of 88% Ni-BTC MOF was obtained from 80% ultrasonic power at 60 °C. BET surface areas of the MOF crystals measured by N₂ gas adsorption isotherms were in the range of 960–1000 m²/g.     

Giant and controllable Goos–H?nchen shift of a reflective beam off a hyperbolic metasurface of polar crystals

We conduct a theoretical analysis of the massive and tunable Goos–H¨anchen(GH) shift on a polar crystal covered with periodical black phosphorus(BP)-patches in the THz range. The surface plasmon phonon polaritons(SPPPs), which are coupled by the surface phonon polaritons(SPh Ps) and surface plasmon polaritons(SPPs), can greatly increase GH shifts.Based on the in-plane anisotropy of BP, two typical metasurface models are designed and investigated. An enormous GH shift of about-7565.58 λ₀     

Interface phonon-polaritons in quantum well systems of polar ternary mixed crystals

The interface phonon-polaritons in quantum well systems consisting of polar ternary mixed crystals are investi-gated. The numerical results of the interface phonon-polariton frequencies in the GaAs/AlxGa1-xAs, ZnSxSe1-x/ZnS, and ZnxCd1-xSe/ ZnSe quantum well systems are obtained and discussed. It is shown that there are six branches of interface phonon-polariton modes distributed in three bulk phonon-polariton forbidden bands in the systems. The electric fields of interface phonon-polaritons are also presented and show the interface locality of the modes. The effects of the ’two-mode’ and ’one-mode’ behaviours of the ternary mixed crystals on the interface phonon-polariton modes are shown in the dispersion curves.     

Electrostatic surface guiding of cold polar molecules with double charged wires

We propose a novel scheme to guide cold polar molecules on the surface of an insulating substrate (i.e., a chip) using a static electric field generated by the combination of a pair of parallel charged wires and a grounded metal plate. We calculate the spatial distributions of the electric fields from the above charged-wire layout and their Stark potentials for cold CO molecules, and analyze the relationships between the electric field and the parameters of the charged-wire layout. The result shows that this charged-wire scheme can be used to guide cold polar molecules in the weak-field-seeking state and to form various molecule-optical elements, even to realize a single-mode molecular waveguide on a molecule chip under certain conditions.     

Two types of highly efficient electrostatic traps for single loading or multi-loading of polar molecules

Two novel electrostatic traps named octopole-based disk electrostatic trap(ODET)and tubular-based disk electrostatic trap(TDET)are proposed for trapping cold polar molecules in low-field-seeking states.Using MgF as the target molecule,single loading and multi-loading methods are numerically simulated with varied incident velocities of slow molecular beams in the two types of traps,respectively.In ODET,with an incident velocity of 10 m/s,a highest loading efficiency of 78.4% or 99.9% has been achieved under the single loading or multi-loading operation mode.In TDET,with an incident velocity of 11 m/s,a highest loading efficiency of 81.6% or 106.5% has been achieved using the two loading methods,respectively.With such high loading efficiencies,the trapped cold molecules can be applied in the researches of cold collisions,high precision spectroscopy,and precision measurements.Especially,together with a blue-detuned hollow beam,the new electrostatic traps proposed here offer a new platform for the following gradient-intensity cooling of MgF molecules,which may provide a new way to produce high density ultracold molecules.     

Electronic Structure of Immunoactive Molecules of 8–Azagona–12,17–Dione

Using the semiempirical method of partial neglect of differential overlap (PNDO), we have calculated the wave functions, energies, orbital configurations of electronic states, oscillator strengths of transitions, electronic density distributions, and dipole moments for the molecule of biologically active 8–azagona–12,17–dione, containing a conformationally rigid –acyl––aminovinylcarbonyl fragment. It has been established that as to their orbital nature the excited lower and higher singlet electronic states of this molecule are of the n^*– and ^* type respectively. The results of the theoretical analysis are in good qualitative agreement with the spectral data on absorption and luminescence. The calculations of the intermolecular interaction of the compound under consideration with a medium show that the molecular systems under consideration can possess a dynamic multicenter structure.     

Smectic polymorphism of 4-decyloxybenzylidene- 4′-alkyloxyanilines and their mixtures with polar standards of mesophases

This article describes liquid crystalline properties of the homologous series of 4-decyloxybenzylidene-4′-alkyloxyanilines. Based on the polarization microscopy (POM and TOA methods) and the calorimetric (DSC) measurements a rich polymorphism has been detected. Investigated compounds exhibit nematic, smectic A, smectic C, smectic B, smectic I and G (smectic G) mesophases with their characteristic configurations. The presence of these mesophases was confirmed by the miscibility method, using 4-heptyloxybenxylidene-4′-pentylaniline as a mesophase reference. Nine other smectic standards with different polarity have been applied in order to investigate their influence on the mesophase stability.     

P–V–T equation of state of rhodium oxyhydroxide

A high pressure X-ray diffraction study of RhOOH was carried out up to 17.44?GPa to investigate the compression behavior of an oxyhydroxide with an InOOH-related structure. A fit to the third-order Birch–Murnaghan equation of state gave K₀?=?208?±?6?GPa, and K′?=?9.4?±?1.3. The temperature derivative of the bulk modulus was found to be ?K/?T?=??0.06?±?0.02?GPa K^?1. The refined parameters for volume thermal expansion were α₀?=?2.7?±?0.3?×?10^?5 K^?1; α₁?=?1.7?±?1.1?×?10^?8 K^?2 in the polynomial form (α(T)?=?α_0?+?α₁(T?300)). Our results show that RhOOH is very incompressible, and has a higher bulk modulus than other InOOH-structured oxyhydroxides (e.g. δ-AlOOH, ε-FeOOH, and γ-MnOOH).     

Measurements of magnetostriction of paramagnetic Fe–Mo–Cu–B metallic glasses

Magnetostriction of amorphous Fe₇₉Mo₈Cu₁B₁₂, (Fe₁₂Co₁)₇₉Mo₈Cu₁B₁₂ and (Fe₉Co₁)₇₉Mo₈Cu₁B₁₂ prepared by planar flow casting was measured using a direct method. The results indicate that magnetostriction in parallel (_λ∥)$({\lambda }_{\parallel })$ and perpendicular (_λ⊥)$({\lambda }_{\perp })$ directions of applied magnetic field is linearly dependent on magnetic field. In order to determine the influences of chemical composition and the conditions of sample preparation the magnetostriction of pure BCC-Fe, Cu and Mo were also measured. Samples containing Co with Curie temperatures slightly above room temperatures were shown to exhibit a hybrid magnetostriction behaviour with both ferromagnetic and paramagnetic features.     

Skin dominance of the dielectric–electronic–phononic–photonic attribute of nanoscaled silicon

Nanoscaled or porous silicon (p-Si) with and without surface passivation exhibits unusually tunable properties that its parent bulk does never show. Such property tunability amplifies the applicability of Si in the concurrent and upcoming technologies. However, consistent understanding of the fundamental nature of nanoscaled Si remains a high challenge. This article aims to address the recent progress in this regard with focus on reconciling the tunable dielectric, electronic, phononic, and photonic properties of p-Si in terms of skin dominance. We show that the skin-depth bond contraction, local quantum entrapment, and electron localization is responsible for the size-induced property tunability. The shorter and stronger bonds between undercoordinated skin atoms result in the local densification and quantum entrapment of the binding energy and the bonding electrons, which in turn polarizes the dangling bond electrons. Such local entrapment modifies the Hamiltonian and associated properties such as the band gap, core level shift, Stokes shift (electron–phonon interaction), phonon and dielectric relaxation. Therefore, given the known trend of one property change, one is expected to be able to predict the variation of the rest based on the notations of the bond order–length–strength correlation and local bond average approach (BOLS-LBA). Furthermore, skin bond reformation due to Al, Cu, and Ti metallization and O and F passivation adds another freedom to enhance or attenuate the size effect. The developed formulations, spectral analytical methods, and importantly, the established database and knowledge could be of use in engineering p-Si and beyond for desired functions.     

Consequences of the center–of–mass correction in nuclear mean–field models

We study the influence of the scheme for the correction for spurious center–of–mass motion on the fit of effective interactions for self–consistent nuclear mean–field calculations. We find that interactions with very simple center–of–mass correction have significantly larger surface coefficients than interactions for which the center–of–mass correction was calculated for the actual many–body state during the fit. The reason for that is that the effective interaction has to counteract the wrong trends with nucleon number of all simplified schemes for center–of–mass correction which puts a wrong trend with mass number into the effective interaction itself. The effect becomes clearly visible when looking at the deformation energy of largely deformed systems, e.g. superdeformed states or fission barriers of heavy nuclei. Received: 6 September 1999     

Nanotribology of Mo–Se–C films

Transition metal dichalcogenides with a layered structure are well known for their self-lubricating properties, particularly in a vacuum or dry atmosphere. The macrotribological properties of these films have been studied extensively. However, the tribological behaviour of these films in the nanonewton load range has hardly been reported. Study of tribological properties with load in the nanonewton range is required for applications related to microelectromechanical systems or nanoelectromechanical systems. In view of the above, the hardness, surface force, friction force, etc. of Mo–Se–C films were investigated at an applied load in the nanonewton range using a nanoindenter and atomic force microscopy. The effect of carbon content, applied load and scanning speed on the friction coefficient was determined. Data pertaining to topography, lateral force and pull-off force of various surfaces are illustrated. The observed nanotribological behaviour of these films is analysed in the light of their nanohardness. The results indicate that the friction force of all the films is very low and in general dependent on surface force. However, a film having the highest carbon content exhibits the maximum friction force. With increasing carbon content of the films tested, the hardness increases and wear decreases. The above results pertain to investigations under ambient conditions.     

Glycine–Nitrate Synthesis of Solid Solutions of Barium–Strontium Metatitanate

Physics of the Solid State - The influence of composition of glycine–nitrate systems on the completeness of the formation of solid solutions of barium–strontium metatitanate was...