实验室黑白肖像艺术照的拍摄及制作方法的改进

本文对实验室条件下拍摄黑白艺术肖像的方法作了探讨,对放大相片的方法作了改进,给出了实验数据,并对拍摄结果作了分析和讨论。实验获得了放大尺寸的人物肖像艺术照片。     

Modifying a graphene layer by a thymine or a uracil nucleobase: DFT studies

The hybridizations of a graphene layer by a thymine and a uracil nucleobase have been investigated by performing density functional theory (DFT) calculations. The isolated and hybrid structures have been firstly stabilized to reach the minimum energy and the electronic properties have been subsequently evaluated for the optimized structures. The structural and atomic scale parameters indicated that the tip of graphene is important in determining the properties of new hybrids. Moreover, different effects of thymine and uracil nucleobases have been identified in the hybrid structures. Quadrupole coupling constants have been evaluated to characterize the atomic scale properties, in which the most notable effects of hybridizations have been observed for the atoms close to the linking regions whereas negligible effects have been seen for other atoms.     

Raman Scattering by Crystals of Rare-Earth Hexaborides with Different Isotopes of Boron

Monocrystals of lanthanum hexaboride LaB₆ containing both natural boron and its isotopes ¹⁰B and ¹¹B have been produced using the solution-melt method. Polyelement hexaboride rare-earths have been grown and the corresponding ceramics have been synthesized for the first time. All these crystals have been studied by means of various techniques, generally using Raman scattering. The Raman spectra attributed to various spectral lines corresponding to nonanalyzable representations have been obtained and interpreted. Frequencies and half-widths of spectral lines have been obtained, the removal of degeneracy and the development of respective splitting of degenerate oscillations induced by defects, mainly by boron isotope inclusions, have been identified. The influence of defects on the Raman spectra has been determined.     

Identification des propriétés thermiques de composites fibres de verre/résines thermodurcissables: Application à l'optimisation des procédés de moulage

Identification of glass fiber/thermosetting resins composites thermal properties. Application to the optimization of molding processes. A procedure has been developed to optimize molding processes of thermosetting composite materials. Three stages have been distinguished. In the first one, some thermal and kinetic properties have been measured by differential scanning calorimetry. Thermal conductivities have been identified afterwards in thick instrumented pieces, placed in a thermally regulated press. High dependences of thermal conductivities on temperature and transformation degree have been shown. Secondly, coupled heat transfers have been numerically simulated and results have been satisfactorily compared with experimental thermograms. Finally, optimization technics based on effective inverse methods have been used.These points have been illustrated with two examples : glass fiber/epoxy resin and glass fiber/polyester. Sufficient mechanical characteristics of the first one, which is cured in oven, and good surface aspect of the second, that is made by injection in heated and closed molds, had to be obtained. The results let foresee real improvement of the corresponding molding processes.     

Synthesis,experimental and theoretical analysis,and antiproliferative activity of 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate

In this study 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate (MPAEMA) has been synthesized and characterized experimentally (FTIR, NMR). Theoretically, physical, electronic and vibrational properties of MPAEMA molecule have been investigated using density functional theory (DFT) calculations at B3LYP/6-311++G(d,p) basis set. Bond distance, FTIR spectrum, NMR spectra and vibrational frequencies have been carried out. The calculated FTIR and NMR spectra of the headline molecule from the DFT have been compared with the measured ones, and good results have been obtained. UV spectrum characteristics and the electronic properties, like frontier orbitals, and band gap energy of MPAEMA have also been recorded by time-dependent (TD-DFT) method based on optimized structure with different solvent. The experimental results have been compared with theoretical values. Both experimental and theoretical methods have shown that the compound has successfully been synthesized. Cytotoxicity of MPAEMA has been investigated by XTT cell proliferation assay. IC50 values of MPAEMA have been identified as 1.8 mM on HeLa cell line.     

Ab-initio Hartree-Fock self-consistent-field calculations—An indigenous development of computer programs

A set of indigenously developed computer programs for ab-initio Hartree-Fock calculations on both closed- and open-shell molecules have been described. These programs have been written for calculations using GTO basis sets. Integral formulae have been taken from Taketaet al [8]. Structures and functions of the programs have been discussed. These programs have been extensively tested. Molecular integrals over GTO basis sets have been chosen for tests and as numerical examples in this paper. Results of calculations using very accurate minimal bases have been given for methane. Time taken for these computations in a CDC Cyber 180/840 machine has been indicated. Trends in the calculations have also been illustrated by employing 4-gaussian expansions for the STO’s and by varying the basis size for LiH and BH⁺. An erratum to this article is available at .     

Second-order and third-order elastic constants of B95 aluminum alloy and B95/nanodiamond composite

All independent second-order and third-order elastic constants in B95 aluminum alloy and B95/nanodiamond composite have been determined. To determine the second-order elastic constants, the densities and velocities of longitudinal and shear bulk acoustic waves in the materials under study have been measured. To quantitatively characterize the nonlinear elastic properties, the third-order elastic constants (TOECs) of B95 alloy and B95/nanodiamond composite have been determined. The Thurston-Brugger method has been used to experimentally determine the TOECs. For this purpose, the relative changes in the bulk wave velocity have been experimentally measured depending on the uniaxial compression applied to the samples under study and all independent TOECs have been calculated. The elastic wave velocities have been measured by the ultrasonic pulse method at a frequency of 10 MHz. The results obtained have been discussed.     

Equilibrium configurations and phase transitions in dipole lattices

Two-dimensional square and hexagonal lattices of magnetic dipoles with the number of rows 1–4 have been studied. Based on the numerical analysis, equilibrium stable domain configurations, including the minimum number of lattice dipoles, have been revealed; the conditions for the creation and destruction of domains have been determined; and their associated changes in the magnetic moment of the lattice and in the energy of the dipole interaction have been found. The conditions for the occurrence of phase transitions that change the configuration of the lattices have been investigated and the conditions for unidirectional propagation of the front of the phase transition have been established. A comparative analysis of different square and hexagonal lattices has been performed in terms of the specific features of the formed domains and the observed orientation phase transitions.     

On wave propagation in a random micropolar thermoelastic medium,second moments,and associated Green’s tensor

The couple stress theory developed by Eringen comprises granular materials as also composite fibrous materials. As such, micropolar materials present an inclusive model of composite materials. This article endeavors to study aspects of wave propagation in a random weakly thermal micropolar elastic medium. The smooth perturbation technique has been employed. The classical thermoelasticity has been used. Six different types of waves have been observed to propagate in the random interacting medium. Dispersion equations have been derived. The effects due to random variations of micropolar elastic and thermal parameters have been observed. Change of phase speed occurs on account of randomness. Attenuation coefficients for high-frequency waves have been computed. Second moment properties have been discussed with application to wave propagation in the random micropolar elastic medium. 36 + 1 components of the associated Green’s tensor have been computed. Integrals involving correlation functions have been transformed to radial forms. A special type of correlation function has been used to approximately measure effects of random variations of parameters.     

Processes in the Coulomb field of nuclei and electromagnetic properties of hadrons

Particle-production processes in the Coulomb field of nuclei at high energies have been considered, and the electromagnetic properties of hadrons (mesons and hyperons) have been investigated in these processes. The results of previous investigations have been summarized, and new data from the SELEX (Fermilab) and SPHINX (Institute for High Energy Physics, Protvino) facilities have been discussed.     

An infrared spectroscopic study of tert-butyl peroxoesters

The infrared spectra of peroxoesters based on tert-butyl hydroperoxide and aliphatic acids, tert-butyl peroxobenzoate, and their nonperoxo analogs have been studied. The observed absorption bands have been assigned to the vibrations of individual bonds, the characteristic features of the structure of the peroxoester molecules have been investigated, and the force constants have been calculated. A set of absorption bands suitable for the identification and analysis of tert-butyl peroxoesters based on aliphatic acids has been proposed.     

Theoretical permittivity spectra of isoelectronic Ge, GaAs, ZnSe, and CuBr crystals

Comprehensive theoretical investigations of the electronic structure of isoelectronic Ge, GaAs, ZnSe, and CuBr crystals have been carried out. The band structure has been calculated by the LAPW method. The total and partial densities of states have been determined and the permittivity spectra have been calculated by the tetrahedron method. The nature of maxima of the ?₂ band spectra and their dependence on the chemical bond type have been determined.     

X-ray and optical studies of an isothiocyanato liquid crystal mixture

In this work, X-ray and optical studies have been carried out on a four-component isothiocyanato liquid crystal mixture with laterally substituted fluorine atoms. Molecular characteristics, such as effective inter molecular distances and apparent molecular length of the average-simulated molecule have been determined from X-ray studies at various temperatures in the liquid crystalline phase. From the nature of molecular alignment as envisaged from X-ray photographs, the orientational order parameter and its variation with temperature have been determined. Optical studies have also been conducted at various temperatures to investigate the thermal variations of birefringence. Macroscopic orientational order parameter and its thermal variation have been determined from these studies. The nature of order parameter variation obtained from the two studies, X-ray and optical have been compared.     

Features of magnetic and magnetoelectric properties of rare-earth multiferroic PrFe3(BO3)4 with the singlet ground state

The features of magnetization of rare-earth multiferroic PrFe₃(BO₃)₄ with the singlet ground state have been investigated theoretically. The magnetic anisotropy of the crystal has been studied. The temperature dependences of anisotropy constants have been calculated. The phase H-T diagram has been constructed. The dependences of the behavior of magnetization vectors of magnetic sublattices on the external magnetic field have been obtained. The magnetoelectric effect has been investigated, and the dependences of polarization on the temperature and field have been found for its various orientations. The theoretical data have been compared with the experimental data and their good agreement has been established.     

Optical methods for the generation of terahertz radiation and subterahertz acoustics of solids

Various methods to increase the efficiency of the generation of broadband terahertz radiation based on optical rectification have been analyzed. The solutions of self-consistent optical terahertz equations have been studied using the inclined front technique. The effect of symmetric and asymmetric resonant impurity centers incorporated into a crystal has been examined. Transient and asymptotic stages of generation have been considered. Attention has been focused on the evolution of the spectra of both generated terahertz and input optic signals. One- and two-frequency generation modes have been discussed. Acoustic analogs that would provide the possibility of the generation of the gigahertz acoustic supercontinuum using subterahertz elastic signals in a solid have been analyzed. The main similarities and differences between terahertz optics and subterahertz acoustics have been revealed.     

Response of a Bose-Einstein condensate of dipole excitons to static and dynamic perturbations

Studies of the interaction of a Bose-Einstein condensate of two-dimensional spatially indirect excitons with the static fields of impurities, surface acoustic waves, and elementary excitations of a degenerate electron gas have been reviewed. The effects of screening of charged impurities and absorption of a Bleustein-Gulyaev surface acoustic wave by an exciton condensate have been considered. Friedel oscillations of the exciton density in a hybrid electron-exciton system, which consists of spatially separated layers of condensed exciton gas and degenerate electron gas, have been studied. The lifetimes of quasiparticle excitations (electrons, plasmons, and bogolons) in the hybrid system have been calculated. The contributions to the effects under study from condensate and above-condensate particles have been determined. The properties of an excitonic insulator have been analyzed within the Bardeen-Cooper-Schrieffer model with a built-in dissipation-free current.     

Poisson-Lie T-duality and Bianchi type algebras

All Bianchi bialgebras have been obtained. By introducing a non-degenerate adjoint invariant inner product over these bialgebras the associated Drinfeld doubles have been constructed, then by calculating the coupling matrices for these bialgebras several σ-models with Poisson-Lie symmetry have been obtained. Two simple examples as prototypes of Poisson-Lie dual models have been given.     

Computational procedure for Sturm-Liouville problems

The approaches of [1. and 2.] and [3. and 4.] have been incorporated to develop a procedure for the automatic computation of the eigen-values and the eigen-functions of one-dimensional linear Sturm-Liouville boundary value eigenproblems, both singular and nonsingular. The continuous coefficients of a regular Sturm-Liouville problem have been approximated by a finite number of step functions. In each step the resulting boundary value problem has been integrated exactly and the solutions have then been matched to construct the continuously differentiable solution of the original problem and the corresponding eigencondition. Step sizes have been chosen automatically so that the local error has been held in a predetermined interval. Representative test examples have been computed to illustrate the accuracy, reliability, and efficiency of the algorithm proposed.     

Calculation of the intensity of Touschek electrons in the VEPP-4M storage ring

Formulas for calculating the intensity of intrabeam scattering of electrons in the Born approximation for the one- and two-dimensional collision models have been obtained for the nonrelativistic and relativistic cases. The Baier-Katkov-Strakhovenko two-dimensional relativistic model with Coulomb corrections has been analyzed. Formulas in the ultrarelativistic limit have been obtained using this model. Different models have been compared. The intensities of Touschek electrons and the polarization contribution have been calculated under the conditions of the detection of scattered particles at the VEPP-4M storage ring. The calculations have been compared to experimental data.     

Theoretical Study on the Gain and Tuning Characteristics of Miniature Optically Pumped NH3 Submillimeter Laser

The gain and the tuning characteristics of miniature optically pumped super-radiant NH₃ submillimeter-wave gas laser have been studied theoretically based on the quantum density matrix equations. The density matrix equations of three-level quantum system have been solved, and the gain and the output density versus different frequency detuning of submillimeter laser and infrared pumping laser have been calculated respectively by means of iteration method. The characteristic curves corresponding to ideal monochromatic IR pumping model and broadened IR pumping model have been obtained. Meanwhile, the tuning and the nonlinear properties of the system have been revealed.