稀土和锕系化合物中重费密子行为

本文采用周期Anderson哈密顿量研究了稀土和锕系化合物中的重费密子行为。对f电子间库仑关联项做了平均场近似并引入自能项反映多体作用的效应。对自能项采用了单格位近似,在准粒子表象中讨论了系统的性质,通过对f电子平均占据数的自洽计算,得到了准粒子有效质量,讨论了形成重费密子的条件,以及相应的磁性的变化,并做了数值计算。所得结果与最近的实验进行了比较。 关键词：     

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.     

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 .     

Specific features of the structure of detonation nanodiamonds from results of electron microscopy investigations

The experimental results of a comprehensive investigation of the structure of detonation synthesis nanodiamonds by electron microscopy methods have been presented. The morphology of diamond nanoparticles has been investigated and the microdiffraction patterns have been analyzed. The method of characteristic fast electron energy loss spectroscopy in transmission electron microscopy has been used. The local density of structural components of a nanodiamond (diamond core and fullerene-like shell) has been obtained. The shape of the shell surrounding the nanocrystal has been determined using model calculations. A hypothesis explaining the charging of the nanodiamond surface has been proposed.     

BEPCⅡ国产500 MHz超导腔运行综述

北京正负电子对撞机二期(BEPCⅡ),国产500 MHz超导腔经过紧张的安装调试于2017年10月正式投入带束流运行。首先对此国产超导腔两次降温调试的相关参数进行了监测和对比分析;其次研究了通过高功率老练的方法改善超导腔的品质因数,并实时监测超导腔老练过程中的辐射剂量;最后对超导腔的带束流运行情况进行了介绍分析。结果表明:BEPCⅡ国产500 MHz超导腔虽然放置了6年,但是状态良好,通过高功率老练能够降低超导腔的辐射剂量,改善其性能,完全满足束流运行要求。     

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.     

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.     

Temperature dependence of the cyclotron resonance in graphene

The dynamic conductivity of graphene in a magnetic field under the conditions of cyclotron resonance has been calculated. The effect of the temperature on cyclotron resonance has been analyzed. So-called multiple resonances have been considered. A dimensionless quantity determining the width and amplitude of the cyclotron peak in the conductivity has been found. Coulomb corrections to the electronic spectrum have been discussed.     

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.     

Structure of organosilicon dendrimers of higher generations

The structure of organosilicon dendrimers of the ninth generation with the four-functional core and butyl terminal groups has been studied by small-angle neutron scattering. It has been demonstrated that the dendrimers are monodisperse objects with an anisometric shape. The partial volume and the average scattering density have been determined using the contrast variation technique. It has been shown that the dendrimers under study are identical in overall sizes and scattering density distribution. It has been revealed that 20% of the overall volume of the dendrimer is accessible for the penetration of the solvent. The distribution of the scattering length density in the dendrimers has been simulated and reconstructed using the Monte Carlo method, and a change in the excluded volume for different contrasts has been revealed. The specific features of the spatial structure of organosilicon dendrimers of higher generations have been discussed.     

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。     

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.     

Fully three-dimensional accurate modeling of scattering loss in optical waveguides

Scattering loss in high-index-contrast optical waveguides has been modeled by a rigorous 3D numerical algorithm based on volume current method. The electromagnetic field generated by the wire current distribution simulating sidewalls roughness has been calculated by 3D finite element method. The developed modeling technique does not introduce any approximation in radiated power estimation. Numerical results obtained by our model have been compared with some experimental results reported in literature for four typical sub-micrometer high-index-contrast waveguides realized by different technologies and a very good agreement (relative error less than 3%) has been demonstrated. Closed-form expressions for scattering loss in low-index-contrast waveguides have been also derived and discussed. Developed modeling technique has been compared with other three-dimensional algorithms for scattering loss estimation and its advantages in terms of accuracy, computation time and generality have been pointed out. Scattering loss dependence on the parameters of the roughness distribution has been finally discussed.     

Bistability of a “chevron” smectic C* liquid crystal in an external electric field

The system of nonlinear equations describing a surface-stabilized ferroelectric smectic C* liquid crystal in the chevron geometry has been investigated by numerical methods in the framework of the continuum model of liquid crystals. Stable orientational and structural configurations have been studied, and the results obtained have been compared with those derived using simplified models. The height of the potential barrier separating two stable configurations has been determined, and the transition between them under the action of the external electric field has been examined. It has been demonstrated that this effect has a threshold character. The dependence of the threshold field on the film thickness has been analyzed.     

Generalized classical mechanics

Generalized classical mechanics has been introduced and developed as a classical counterpart of the fractional quantum mechanics. The Lagrangian of generalized classical mechanics has been introduced, and equation of motion has been obtained. Lagrange, Hamilton and Hamilton-Jacobi frameworks have been implemented. Oscillator model has been launched and solved in 1D case. A new equation for the period of oscillations of generalized classical oscillator has been found. The interplay between the energy dependency of the period of classical oscillations and the non-equidistant distribution of the energy levels for fractional quantum oscillator has been discussed. We discuss as well, the relationships between new equations of generalized classical mechanics and the well-known fundamental equations of classical mechanics.     

IGCC空气侧整体综合优化的研究

主要符号表X。。氮气回注系数如空分整体化系数E。；c燃气轮机压气机效率G。l回注氮气流量万燃气轮机透平前温尼。”系统相对效率G。。煤气氮气掺混流量Ea；，c空气专用压缩机效率N。”系统相对功率1前言整体煤气化联合循环（IGCC）系统模拟与优化逐步受到重视，开展了许多相关研究［‘－‘］。但是，现有的方法［‘，‘］一个突出的问题，它是在设定的具体流程方案下的数值分析，这常常导致落入“局部优化掩盖了整体最优”的误区。本文是研究以空分系统为中心的空气侧子系统的整体优化，阐述基本概念，尝试新方法，并结合大型商业化装…     

Statistical description of a paired nucleus with the inclusion of angular momentum

The effect of angular momentum on an excited paired nucleus has been studied. The BCS Hamiltonian, modified to include the z-projection of angular momentum has been diagonalized and expressed in terms of the quasiparticle occupation numbers. The grand partition function and all the relevant thermodynamical functions as well as the level-density expression have been derived for the general case of an arbitrary set of single-particle levels. Furthermore, the formalism has been applied to the uniform model and, whenever possible, analytical expressions have been derived. In particular the zero-temperature angular momentum dependence of the gap parameter, the critical angular momentum as well as the yrast line have been calculated. The critical temperature as a function of angular momentum, which defines the phase transition between paired and unpaired systems, has been calculated. A new effect called the thermally assisted pairing correlation, involving an increase of pairing with increasing temperature has been predicted. The completeness of the formalism as applied to spherical or deformed nuclei has been discussed.     

Cinchona alkaloid-based polymer-bound phase-transfer catalysts: Efficient enantioselective alkylation of benzophenone imine of glycine esters

Summary Cross-linked polystyrene-bound and poly(ethylene glycol)-bound phase-transfer catalysts as well as homopolymers of cinchona alkaloid derivatives have been synthesised. Both soluble and insoluble polymers have been investigated. The enantioselective alkylation of N-diphenyl methylene glycine t-butyl ester has been successfully carried out in heterogeneous and homogeneous systems. High enantioselectivities (up to 96%) have been obtained. The polymer-bound catalysts have been easily recovered and conditions for efficient recycling have been studied.     

Homogeneous nucleation of dislocations

The mechanism and stochastic properties of the homogeneous nucleation of dislocations have been studied. An approach has been proposed for determining the nucleation rate based on consideration of the lifetimes of a metastable state. Primary data have been obtained using the molecular dynamics method. The dependences of the nucleation rate on the shear stresses have been determined for several temperatures. An approximation of the obtained results in terms of the Arrhenius equation has been proposed. The regions of shear stresses and temperatures in which the mechanism of homogeneous dislocation nucleation can be realized have been estimated.     

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.