Studies on binary mixtures of 4-pentyloxy-4′-cyanobiphenyl with three 4, 4′-di(alkoxy)azoxybenzenes

Eighteen binary mixtures of 4-pentyloxy-4′-cyanobiphenyl (5OCB) and 4, 4′-di(alkoxy)azoxybenzenes (nOAB) with n = 5, 6, and 7 at different concentrations have been studied in detail. Over a wide concentration range, induced SmA phase was observed in all the mixtures except in one. In most of the mixtures, the refractive indices no, ne, and Δn lie between the values of pure components. The optical birefringence of the mixtures is found to decrease non-additively with concentration. The molecular polarizability anisotropy and the orientational order parameter <P₂> of the mixtures were calculated. Nature of variation of polarizability anisotropy with concentration is similar to that of Δn. In allmixtures <P₂> is more in smectic phase than in nematic phase and it also shows non-additive behaviour. Observed <P₂> values of the mixtures were compared with McMillan’s and Maier-Saupe theoretical values and good agreement is found in some mixtures. The transition temperatures obtained by fitting <P₂> data to McMillan’s theory agree with the observed values within a few degrees. Ratio of elastic constants K₃₃ and K₁₁ is determined for mixtures having nematic phase and found to diverge at T_NA transition point.     

Oriental behaviour of some homologues of 4-n-pentyl-phenylthio-4′-n-alkoxybenzoate doped with dichroic dye

The long-range orientational order of three members of 4-n-pentylphenylthio-4′-n-alkoxybenzoate series doped with a dichroic dye was studied by means of electronic absorption and fluorescence measurements. The order parameters <P₂> and <P₄> as well as the orientational distribution function were determined on the basis of absorption and emission spectra of linearly polarized light recorded as a function of temperature in the nematic, smectic A, and smectic C phases. An influence of the dye molecular structure on the orientational order of the dye/liquid crystal mixture was observed. Moreover, the dependence of the order parameter values on the length of the alkoxy chain in liquid crystal molecules was found. It was shown that the order parameter <P₄>, obtained from fluorescence measurements, can be helpful in recognizing the second-order or weakly first-order transitions between various liquid crystalline phases.     

Density correlations of hadron gas and the origin of early multiplicity scaling

We will define a sequence of functions called density correlations which measure statistical correlations between momentum space densities of particles in the ensemble of inelastic final states produced by scattering a pair of hadrons. Then we will show that early multiplicity scaling of the distribution of charged particles produced by pp collisions can primarly be explained by the assumption that fluctuations of the density of charged particles are quite random and therefore higher correlation functions are small in an appropriate sense, combined with the assumption that the first three density correlations fulfill an approximate form of Feyman scaling at small values of x. These assumptions will aslo be used to derive an expression for the scaling function Ψ(η) which is completely determined by <N²>_S/<N>_S² and <N³>_S/<N>_S³, and recursion relation to calculate <N^m>_S/<N>_S^m, m ? 4, from <N²>_S/<N>_S² and <N³>_S/<N>_S³. The prediction for Ψ(η) accurately reproduces data in the interval 0.2 ? η ? 3.1, 50 GeV/c ? p_L ? 303 GeV/c, and the predictions for <N_S>^m/<N>_S^m, 4 ? m ? 10, agree with observed values in the interval 50 GeV/c ? p_L ? 303 GeV/c.     

Polarization-luminescence studies of the structure and molecular dynamics of smectic and nematic mesophases

The liquid crystal 50B7A in the smectic A and nematic phases was studied by the method of polarization luminescence. The order parameters P₂ and P₄ were determined from the experimental values of the luminescence spectrum both neglecting and taking into account relaxation processes in the liquid crystal. The orientational distribution function of the molecules in the ground and excited states are constructed. The orientational relaxation time (10^–9 sec for the nematic and smectic A phases) is calculated. The results obtained are compared with calculation of the rotational relaxation time determined from the coefficient of diffusion for the related compound EBBA.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 39–43, August, 1987.     

Orientational order parameters of a binary mixture showing both induced smectic and re-entrant nematic phases

The phase diagram of a new binary system of two polar nematic compounds, 4-cyanophenyl [4′ (4″-n-heptylphenyl)] benzoate(7CPB) and 4-cyanophenyl 4-nonylbenzoate (9.CN), shows the presence of both the induced smectic and re-entrant nematic phases in a certain concentration range 0.4 < x _9.CN < 0.87. The results of X-ray diffraction and density measurements are reported here. Orientational order parameters have been determined in the induced smectic, normal nematic and re-entrant nematic phases from X-ray diffraction measurements. The order parameters have been fitted to those calculated from modified McMillan's theory as proposed by Luckhurst and Timimi. The agreement is found to be closer to the modified model. The experimental variation of the layer thickness with mole fraction of 9.CN has also been explained fairly well by assuming the presence of two types of homo dimers (7CPB + 7CPB, 9.CN + 9.CN) and one type of hetero dimer (7CPB + 9.CN).     

Phase diagram of the two-dimensional Ising model with random competing interactions

An Ising model with ferromagnetic nearest-neighbor interactions J₁ (J₁>0) and random next-nearest-neighbor interactions [+J₂ with probability p and −J₂ with probability (1−p); J₂>0] is studied within the framework of an effective-field theory based on the differential-operator technique. The order parameters are calculated, considering finite clusters with n=1,2, and 4 spins, using the standard approximation of neglecting correlations. A phase diagram is obtained in the plane temperature versus p, for the particular case J₁=J₂, showing both superantiferromagnetic (low p) and ferromagnetic (higher values of p) orderings at low temperatures.     

Variational calculations on the energy levels of graphene quantum antidots

The critical properties of the two-dimensional Ising and Blume-Capel model on directedsmall-world lattices with quenched connectivity disorder are investigated. The disordered system is simulated by applying the Monte Carlo method with heat bath update algorithm and histogram re-weighting techniques. The critical temperature, as well as the critical exponents are obtained. For both models the critical parameters have been obtained for several values of the rewiring probability p. It is found that these disorder systems do not belong to the same universality class as two-dimensional ferromagnetic model on regular lattices. In particular, the Blume-Capel model, with zero crystal field interaction, on a directedsmall-world lattice presents a second-order phase transition for p < p _c , and a first-order phase transition for p > p _c , where p _c  ≈ 0.25. The critical exponents for p < p _c are different from those of the same model on a regular lattice, but are identical to the exponents of the Ising model on directedsmall-world lattice.     

Structure,elasticity and phase transitions in liquid crystals with deformations

ABSTRACT

A molecular-statistical theory describing the nematic liquid crystals (LCs) with spherical inclusions (or point defects) is proposed. At given size of inclusions and nematic order parameters at the surfaces of inclusions (zero in the case of point defects) and far from inclusions (where the nematic LC is almost uniform), the distribution of nematic order parameters in the bulk of LC with inclusions was found to be fully determined by the elastic constants of LC. We have found and explained the two-step heat-driven transformation from the nematic phase into the isotropic phase, with the intermediate phase in between. The nematic order parameters and the elastic constants are evaluated in the framework of a unified approach based on the features of pair interaction potentials of the individual LC molecules. It is shown that, in the case of K₃₃ < K₁₁, the point defects should destroy the conventional nematic phase.     

High-resolution infrared and theoretical study of gaseous oxazole in the 600-1400 cm region

The Fourier transform gas-phase IR spectrum of oxazole, C₃H₃NO, has been recorded with a resolution of ca. 0.0030 cm⁻¹ in the wavenumber region 600-1400 cm⁻¹. The rotational structures of 10 fundamental bands (four of a-type, three of b-type and three of c-type) have been analysed using the Watson model. Ground state rotational and quartic centrifugal distortion constants as well as upper state spectroscopic constants have been obtained from the fits. A number of perturbations have been identified in the bands. From a local crossing observed in ν₁₅ we located the very weak ν₁₄ band at 858.19(1) cm⁻¹. Also ν₁₃ is definitively located at 899.3 cm⁻¹. The three global c-Coriolis interacting dyads ν₉/ν₁₀, ν₁₀/ν₁₁, and ν₁₂/ν₁₃ have each been analysed by a model including first and second order Coriolis resonance using ab initio predicted first order Coriolis coupling constants; second order Coriolis interaction parameters are determined. The rotational constants, harmonic and anharmonic frequencies, intensities, and vibration-rotation constants (alphas, ) have been predicted by quantum chemical calculations using a cc-pVTZ basis at the MP2 and B3LYP methodology levels, and compared with the present experimental data. Both the rotational constants and frequencies are marginally closer to experiment from the B3LYP calculations. In order to make more significant comparisons between theory and experiment for the alphas, we take differences between ground and vibronic state values; under these circumstances, the B3LYP definitely have a closer fit to experiment.     

Relation between orientational order parameters of matrix and probe in nematic liquid crystals

Summary The phenomenological relation between the orientational order parameters of matrix (S) and probe (S _p) has been obtained and confirmed for a large number of impure nematic liquid cyrstals. The temperature-dependent parts of the parametersS andS _p are proportional to one another and have the same critical behaviour over the whole mesophase range, although the absolute values ofS andS _p as well as their temperature dependencesS(T) andS _p(T) may be sufficiently different. The relation observed is not the consequence of the known molecular-statistical theories of impure nematic liquid crystals. Work presented at the second USSR-Italy Bilateral Meeting on Liquid Crystals held in Moscow, September 15–21, 1988.     

Search for direct single-photon production at large pT in photon-proton collisions at √s = 62.4 GeV

As part of a study of large p_T phenomena in photon-proton collisions at the CERN ISR, a search for direct single photon production has been performed. A statistical division of the data sample into the fraction consistent with single photon and the fraction due to multiphoton decays of neutral hadrons is accomplished by measuring the average conversion probability for the sample in a one radiation length thick converter. The fraction of the sample attributable to direct single photon production is 〈γ/all〉 = 0.074 ± 0.012 for 6 GeV/c < p_T 10 GeV/c, and 〈γ/all〉 = 0.26 ± 0.04 for p_T > 10 GeV/c, with an additional systematic uncertainty of ±0.05 for both values.     

Rotational analysis of 6ν3 and 6ν3+ν2−ν2 bands of N2O from ICLAS spectra between 12,760 and 12,900 cm

The absorption spectrum of nitrous oxide (N₂O) has been recorded by Intracavity Laser Absorption Spectroscopy between 12,760 and 12,900 cm⁻¹. The rotational analysis led to an improved determination of rovibrational parameters of the 6ν₃ and 6ν₃+ν₂-ν₂ bands of ¹⁴N₂¹⁶O. The high J rotational levels of the (0 0 ⁰6) and (0 1 ¹6) upper states were found perturbed by an anharmonic interaction. Line intensity values of the 6ν₃ band are provided and the main effective dipole moment parameter has been determined.     

Reinvestigation of Microwave Spectrum of Ethylsilane: I. Structure and Dipole Moment

Microwave spectra of ethylsilane and its 19 isotopic species have been measured. A least-squares analysis of the observed frequencies gave rotational constants and three quartic centrifugal distortion constants. The r_s structure has been well established from the moments of inertia calculated from the observed rotational constants. The structure has also been obtained from the differences of the observed moments of inertia between the isotopic and normal species by the diagnostic least-squares method. The structure of trans-propylsilane has been established from the reported and newly observed rotational constants for the isotopically substituted species of this molecule by application of the so-called diagnostic least-squares method. The structual parameters of ethylsilane were compared with those of analogous molecules. Special attention was paid to the C-C bond length. The newly obtained bond length is r(C-C)=1.541±0.001 Å. The dipole moment and its direction in the molecule were determined from Stark-effect measurements of several low-J transitions by the usual perturbation method; μ_a=0.733±0.001 D, μ_b=0.349±0.003 D, and μ_total=0.812±0.002 D were obtained for the normal species. The angle between the dipole moment and the Si-C bond was 36′ toward the inside of the molecule. These values were compared with those of analogous molecules.     

Low temperature asymptotic behaviours of the correlation functions in the one-dimensional fermi gas

The g-model of the one-dimensional (1-D) Fermi gas including the same site interaction g₄ is investigated in the self-consistent harmonic approximation (SCHA) for the Bosonized Hamiltonian. The asymptotic form of the gap of the spin-density excitation is determined at low temperatures. It is found that the phase transition is of first order and the transition exists if g₁₆ < 0 but does not if g₁₆ > 0. The correlation functions for the order parameters of the charge-density wave (CDW) and singlet-superconductor (SS) are evaluated at low temperatures.     

Temperature dependence of the effective anchoring energy for a nematic-ferroelectric interface

Specific features of the anisotropic interaction between a nematic mixture and a polar surface of a ferroelectric triglycine sulfate crystal have been studied over a wide temperature range including the substrate's Curie point T_c. The mixture was composed of two nematic liquid crystals, 60% of p-methoxybenzylidene-p-n-butylaniline (MBBA) and 40% of p-ethoxybenzylidene-p-n-butylaniline (EBBA), and doped with a small amount of a dichroic dye. The temperature dependence of the polarized components of optical density D_j of the dye absorption band for the nematic and isotropic phases of the MBBA+EBBA mixture has been obtained using polarization optic techniques. The temperature-induced structural changes in the nematic layer near T_c were found to be related to the changes in the orientational part of the tensor order parameter Q_ik. The experimental data have been interpreted using the model, in which the dispersive van der Waals forces of the substrate stabilize the planar orientation of the nematic in the bulk competing with the short-range anchoring forces in the vicinity of T_c. At the same time, the anisotropic part of the surface energy has two terms with the orthogonal easy axes. The nature of the surface electric field and its effect on the director alignment at the interface have been clarified. Taking into account the known relation between anchoring strength and the nematic order parameter, the effective anchoring energy w_eff for the studied system has been determined as a function of temperature.     

Some remarks on the significant character of spectroscopic constants (triatomic linear molecules)

The influence of the H_v term on the values of the other spectroscopic constants B_v and D_v has been analyzed. The questions specifically considered are: When is it necessary to introduce it in the fit to reproduce satisfactorily the wavenumbers for the rotational structure of a given vibration-rotation transition? Even though this constant is not a significant parameter (H > 3δH, δH being the standard deviation) is it necessary to introduce it for extrapolations to very high J values? As a result of these considerations, it has been possible to define an experimental; protocol to determine “correct” spectroscopic constants.     

Centrifugal distortion analysis of the millimeter-wave spectrum of 2-fluorobenzonitrile and ab initio DFT calculations

The ground state (ν = 0) rotational spectrum of 2-fluorobenzonitrile has been reinvestigated in the frequency range 40.0-99.0 GHz. The millimeter-wave spectrometer used is a source-modulated system combined with a free space glass cell. Millimeter-wave radiation has been produced using a Gunn diode and frequency doubler combination. High J and K₋₁ (J ? 49 and K₋₁ ? 18) transitions have been measured and accurate rotational and centrifugal distortion constants have been determined. Finally, the experimental values were compared with the corresponding values calculated at the HF/DFT-B3PW91/6-31g(d,p) level of theory. A very good agreement has been found.     

Study of the paraelectric behavior of OH− ions in alkali halides with optical and caloric methods-I. Statics of dipole alignment

The electric field induced alignment of substitutional OH^? ions in a variety of alkali halide crystals was studied, using electro-optical and electro-caloric techniques. As basis for the electro-optical studies, the u.v. absorption of OH^? in various crystals was thoroughly investigated at different temperatures, and in several cases oscillator strength values were determined. The energy position of the u.v. absorption of OH^? in 13 alkali halides follows closely an Ivery-relation, which is discussed in terms of a charge-transfer model. The observed electric field induced zero-moment changes of the u.v. absorption, which depend strongly on light polarization, field direction and temperature, can be quantitatively accounted for by a paraelectric alignment model of permanent dipoles with moment p. The anisotropy of the OH^? electro-dichroism reveals <100> dipole orientation in NaCl, KCl, KBr, RBCl, RbBr and RbI, <110> orientation in KI, and <111> orientation in CsBr. The determined dipole moment values p show little variation with the host material, which excludes sizeable contributions to p from off-center shifts of the OH^? ion. The observed saturation of the electro-dichroism indicates a peculiar ‘mixed’ polarization behavior of the optical transition, which will be discussed. Reversible electro-caloric measurements, performed on several OH^? systems, reveal a field dependence and anisotropy in the high field range, which yield dipole orientation and dipole moment values in agreement with the electrooptical results.