Theory of polar liquids

Two recent contributions to the statistical theory of polar fluids, namely the perturbation theory of Stell, Rasaiah and Narang (SRN) and the meanspherical-approximation (MSA) results of Wertheim, and of Nienhuis and Deutch, are compared and contrasted for the conceptually simple model of hard spheres, diameter R, with central point dipoles, of strength μ (dipolar hard spheres). It is shown that the MSA approach replaces correlation functions which enter correctly into the SRN theory by their low-density limits : to this extent it is unsatisfactory. On the other hand the MSA work does suggest reasons why the naive Padé approximant featuring in SRN theory may be expected to do reasonable justice to the physics of the problem. Numerical comparisons of the excess free-energy (as compared with non-polar hard spheres) as a function of reduced density, ρ* = ρR ³, are given at two temperatures, T* = 2 and T* = 0·25, where T* = kTR ³/μ². Similar curves, for T* = 1 and T* = 0·5, are available from the authors. The gas-liquid (T*, ρ*)-phase boundary is located, near the critical point, on both theories, as are the vapour pressure curves. These are calculated using the Carnahan-Starling equation of state for hard spheres ; and critical comment is made in justification of employing this in the context of MSA results for the excess quantities. The two theories are found to have appreciably different numerical consequences.     

Quasi-one-dimensional structure of polar liquids

The model of hindered molecular rotation considers a dense polar liquid as an infinite statistical chain of particles bound by dipole forces. The applicability limits of this quasi-one-dimensional model and the nature of possible phase transitions in the system under consideration are discussed.     

Filtering properties of polar semiconductors

The variation of the dielectric function with frequency has been studied for polar semiconductors. The strong coupling between the surface plasmons and surface optical phonons at the surface of a polar semiconductor leads to the study of its filtering properties. The effect of a dc magnetic field on the filtering properties has also been studied. This study on six polar semiconductors GaSb, InSb, InAs, GaAs, GaP and InP has shown that they behave as a band pass and high pass filter.     

Stability of polar oxide surfaces

The structures of the polar surfaces of ZnO are studied using ab initio calculations and surface x-ray diffraction. The experimental and theoretical relaxations are in good agreement. The polar surfaces are shown to be very stable; the cleavage energy for the (0001)-Zn and (0001;)-O surfaces is 4.0 J/m(2) comparable to 2.32 J/m(2) for the most stable nonpolar (1010) surface. The surfaces are stabilized by an electronic mechanism involving the transfer of 0.17 electrons between them. This leads to 2D metallic surface states, which has implications for the use of the material in gas sensing and catalytic applications.     

Optimal polar image sampling

In this paper, a problem of efficient image sampling (deployment of image sensors) is considered. This problem is solved using techniques of two-dimensional quantization in polar coordinates, taking into account human visual system (HVS) and eye sensitivity function. The optimal radial compression function for polar quantization is derived. Optimization of the number of the phase levels for each amplitude level is done. Using optimal radial compression function and optimal number of phase levels for each amplitude level, optimal polar quantization is defined. Using deployment of quantization cells for the optimal polar quantization, deployment of image sensors is done, and therefore optimal polar image sampling is obtained. It is shown that our solution (the optimal polar sampling) has many advantages compared to presently used solutions, based on the log-polar sampling. The optimal polar sampling gives higher SNR (signal-to-noise ratio), compared to the log-polar sampling, for the same number of sensors. Also, the optimal polar sampling needs smaller number of sensors, to achieve the same SNR, compared to the log-polar sampling. Furthermore, with the optimal polar sampling, points in the image middle can be sampled, which is not valid for the log-polar sampling. This is very important since human eye is the most sensitive to these points, and therefore the optimal polar sampling gives better subjective quality.     

Linking ultracold polar molecules

We predict that pairs of polar molecules can be weakly bound together in an ultracold environment, provided that a dc electric field is present. The field that links the molecules together also strongly influences the basic properties of the resulting dimer, such as its binding energy and predissociation lifetime. Because of their long-range character, these dimers will be useful in disentangling cold collision dynamics of polar molecules. As an example, we estimate the microwave photoassociation yield for OH-OH cold collisions.     

Doppler spectrum-based polar nephelometer

The particle scattering asymmetry parameter of an ensemble of submicrometer particles, as well as the complete scattering phase function (angular distribution), is determined by measuring the Doppler spectrum of the scattered light. No calibration is required. The monitor incorporates a 532?nm laser with long coherence length, an integrating sphere to collect the scattered light, and a heterodyne (interferometric) detection scheme. Measurements of monodisperse polystyrene latex spheres and polydisperse ammonium sulfate particles indicate that the measured value of the asymmetry parameter is generally within ±0.03 of that calculated using Mie theory.     

High-latitude and polar heliosphere

A short review of the recent studies of the three-dimensional structure of the heliosphere is presented. The main progress is due to direct plasma and magnetic field measurements from the Ulysses spacecraft outside the ecliptic plane in heliolatitudes of up to ±80°.The new data are used for the development of theoretical models.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 39, No. 10, pp. 1257–1267, October, 1996.This work was supported in part by the Russian Foundation for Fundamental Research under Grant No. 95-02-06074 a.     

Theory of polar fluids. I

We examine a classical fluid composed of molecules which contain a polarizable electric dipole with finite permanent moment. The long-ranged dipolar and the short-ranged interactions are treated on a different footing by expanding relative to a reference system characterized by the absence of electrostatic interactions. Extensions of graph theoretical techniques developed in an earlier paper are used to analyse the pair distribution function and the dielectric constant. Reduction of the number of graphs and their complexity is effected by introducing renormalizations of the permanent moment and the polarizability. The analysis leads to the definition of a new function w(12), which is free of terms dependent on the shape of the sample. For polar, polarizable molecules the direct correlation function lacks translational invariance; its role as a basic quantity is ceded to w(12). The pair distribution function and the dielectric constant ε are expressed in terms of w(12) and two closely related functions. Attention is drawn to an unsolved problem in dielectric theory, and an alternative formula for ε is presented in the form of a conjecture. An approximation for ε is formulated for the case in which the short-ranged non-dipolar interactions are independent of the molecular orientations. A simplified version is solved analytically.     

Mixtures of polar and nonpolar molecules

The site-site Ornstein-Zernike (SSOZ) equation with mean spherical approximation closure is solved analytically for a mixture of hard dumbbells and polar hard dumbbells. The solution reduces to that of the pure polar hard dumbbell fluid at the polar species density rather than the total density. The thermodynamic properties of the mixture are obtained using the zero-pole approximation (ZPA) to the free energy. The mixture is shown to separate into two mixed phases, one rich in the nonpolar species and the other rich in the polar species. This phase separation terminates in an upper critical solution temperature. The excess thermodynamic functions are presented and the mixture exhibits both positive and negative values of the excess volume. The negative values of the excess volume occur in mixtures rich in the polar component.     

Electromagnetodynamics of polar liquids and suspensions

We study electric and magnetic effects on the dynamics of polar liquids and of fluid suspensions of particles carrying electric and/or magnetic dipole moments. The hydrodynamic equations of motion are discussed in detail and compared with equations proposed in the literature. We derive simplified equations valid on a slow timescale.     

Actively contracting bundles of polar filaments

We introduce a phenomenological model to study the properties of bundles of polar filaments which interact via active elements. The stability of the homogeneous state, the attractors of the dynamics in the unstable regime, and the tensile stress generated in the bundle are discussed. We find that the interaction of parallel filaments can induce unstable behavior and is responsible for active contraction and tension in the bundle. The interaction between antiparallel filaments leads to filament sorting. Our model could apply to simple contractile structures in cells such as stress fibers.     

Flexoelastic properties of polar liquid crystals

Structural properties of liquid crystals, such as the order parameters and the orientational, radial, and direct correlation distribution functions of polar liquid crystals 4-n-heptyloxy-4′-n-cyanobiphenyl (7OCB) and 4-n-hexyloxy-benzylidene-4′-n-aminobenzonitrile (HBAB) have been calculated using a combination of numerical simulation and statistical mechanics methods. It has been shown that the calculated values of both the Frank elastic coefficients K _i (i = 1, 2, 3) corresponding to the splay, twist, and bend deformations and the flexoelectric coefficients e _i (i = 1, 3) agree with the experimental data for 7OCB. The calculated values of the same coefficients for HBAB have been published for the first time.     

Optical production of ultracold polar molecules

We demonstrate the production of ultracold polar RbCs molecules in their vibronic ground state, via photoassociation of laser-cooled atoms followed by a laser-stimulated state transfer process. The resulting sample of X1Sigma+ (nu = 0) molecules has a translational temperature of approximately 100 microK and a narrow distribution of rotational states. With the method described here it should be possible to produce samples even colder in all degrees of freedom, as well as other bialkali species.     

Ultrasound and polar homogeneous reactions

The effect of ultrasound on the rates of homogeneous heterolytic reactions not switched to a free radical pathway can be explained by the perturbation of the molecular organization of or the solvation in the reacting system. A quantitative analysis of the sonochemical acceleration on the basis of the microreactor concept was carried out. It was found that (1) the Diels-Alder reaction cannot be accelerated by ultrasound except when SET or free radical processes are promoted, (2) the rectified diffusion during cavitation cannot be responsible for the acceleration of reactions, and (3) the sonochemical acceleration of polar homogeneous reactions takes place in the bulk reaction medium. This implies the presence of a 'sound-field' sonochemistry besides the 'hot-spot' sonochemistry. The occurrence of a sonochemical deceleration effect can be predicted.     

Electron scattering by polar molecules

Theoretical and experimental studies of electron-polar molecule collisions are reviewed. Principal emphasis is placed on elastic scattering and excitation of rotational states by low-energy (less than about 10 eV) electrons. After a survey of experimental techniques and methods of cross-section calculation, the results are compared with each other. In particular, the dipole-moment dependence of the cross-section is discussed in relation to possible bound states in a dipole field. Examples of applications of the resulting cross-section are demonstrated. Finally future problems are summarized.     

Electron-TO-phonon interaction in polar crystals

In the present work, the interaction between electrons and long-wavelength transverse optical (TO) vibrations in a polar insulator is considered. The crystal model employed for the theoretical analysis includes classical potentials and electronic polarizabilities. A significant enhancement of the strength of the electron-TO-phonon interaction in ferroelectrics has been found. A microscopic justification of this effect is given. A bridge that relates the interaction of electrons with the polar long-wavelength TO modes of lattice vibrations to the long-range dipole-dipole interaction is established. As an application of our analysis, a novel method for quantitative predictions of the electron-TO-phonon interaction constants in polar crystals via the data of experimental studies is suggested.