Spectroscopic and proton-acceptor properties of biologically active molecules of benzoic acid and its derivatives

We have measured the absorption, fluorescence, fluorescence excitation spectra, fluorescence quantum yields, and IR Fourier-transform spectra of aromatic acids in solutions. We have considered spectroscopic particular features of benzoic acid, its hydroxylated and methoxylated derivatives. Using quantumchemistry methods, we have calculated and interpreted electronic spectra. Data of calculations have been compared with experimental results. We have ascertained the main channels and mechanisms of photophysical relaxation processes in the molecules under study. Proton-acceptor properties of molecules of aromatic acids have been evaluated. We have analyzed in detail mechanisms by which hydrogen bonds are formed, intramolecular charge redistribution is realized, and the electron density of oxygen atoms changes. Spectroscopic indications of participation of oxygen-containing groups in intramolecular interactions and in intermolecular interactions with the formation of cyclic dimers have been revealed.     

Inertial fusion science and technology for the 21 st century

This paper reviews the leading edge of the basic and applied science that use high-intensity facilities. The more than 15 000 experiments on the Nova laser since 1985 and many thousands more on other laser, particle beam, and pulsed power facilities around the world have established the new laboratory field of high-energy-density plasma physics and have furthered development of inertial fusion. High-brightness femtosecond lasers have enabled the study of matter in conditions previously unachievable on earth. These experiments and advanced calculations have established the specifications for the National Ignition Facility (NIF) and Laser MegaJoule (LMJ) and have enhanced scientific fields such as laboratory astrophysics. Science and technology developed in inertial fusion have found near-term commercial use, have enabled steady progress toward the goal of fusion ignition and gain in the laboratory, and have opened up new fields of study for the 21 ^st century.     

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 .     

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。     

全内腔绿光He-Ne激光器

采用Needle法,对全内腔绿光He-Ne激光器膜系进行设计,并给出了所设计膜系的光谱性能。利用离子溅射镀膜技术镀制了所设计的膜片并且给出了测量结果。制备了多种规格的全内腔绿光He-Ne激光器并且讨论了相关工艺。其中腔长420mm的全内腔绿光He-Ne激光器的典型输出光功率为3mW（单模）,腔长360mm的典型输出光功率为2mW（单模）,腔长240mm的典型输出光功率为1mW（单模）,腔长100mm的小短管子也能有0．1mw的出光功率。     

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.     

Some physical properties of In doped copper oxide films produced by ultrasonic spray pyrolysis

In this work, we have reported the effect of In doping on structural, optical and surface properties of copper oxide films obtained by a low-cost ultrasonic spray pyrolysis technique. Thicknesses, refractive indices and extinction coefficients of the films have been determined by Spectroscopic ellipsometry technique using Cauchy-Urbach model for fitting. A very good agreement was found between experimental and theoretical parameters with low MSE values. Transmission and reflectance spectra have been taken by UV Spectrophotometer, and band gap values have been determined by optical method. Structural properties of the films were investigated with X-ray diffraction patterns. In doping caused the films to growth through some certain directions. Atomic force microscope images have been taken to see the effect of In doping on surface topography and roughness of copper oxide films. Surface properties of undoped films have been improved by In doping. Lowest roughness values have been obtained for In doping at 1%. As a result, we have concluded that properties of copper oxide films which are commonly used in solar cells may have improved by In doping (especially In doped at 1%).     

Enhancement of Piezoelectric and Dielectric Properties and Macroscopic Relaxation of Charge and Field Response in 0–3 Ceramic-Pore Composites: Theory and Experiment

In this work, we have theoretically and experimentally described the dielectric and piezoelectric properties of ceramic-based lead zirconate–titanate composites that have a 0–3 bond. Based on the proposed model, the frequency dependences of the dielectric and piezoelectric response have been determined theoretically and experimentally. The influence of the Maxwell–Wagner relaxation and the effective parameter approximation on the physical properties of disordered objects of statistical mixture have been studied. The distribution functions of the times of intercomponent relaxation in the piezoceramic–pores composite system and the concentration dependences of the effective field responses have been determined. The theoretical and experimental results obtained have been compared.     

The asteroidal belt and Kirkwood gaps—II. Kinematical theory

We have developed a kinematical theory for the asteroidal belt and Kirkwood gaps from the point of view of stellar dynamics. We have generated the potential that would produce these gaps and have made a spectral analysis study. We have shown that these gaps could be due to spiral tubes of matter in the ecliptic plane as a consequence of differential rotation and spatial interference of density waves. We have also shown that this mechanism could account for depletion of matter from this region.     

Dispersion properties of surface polaritons at the high-temperature superconductor-insulator interface in the presence of dissipation

The dispersion and energy characteristics of surface polaritons at a high-temperature supercon-ductor-insulator interface have been studied taking into account the dissipation in both media. The dispersions have been found and the criteria for the existence of surface waves have been formulated for temperatures below the phase transition point. The frequency dependences of the depth of penetration of surface polaritons into each medium and their mean free paths have been determined. The characteristic frequencies near which the wave parameters of surface polaritons undergo substantial changes have been revealed.     

Nonlinear vortex dynamo in a rotating stratified moist atmosphere

We have found a new type of large-scale instability in a rotating stratified moist atmosphere with small-scale turbulence. The turbulence is excited by an external small-scale force with a low Reynolds number. We have constructed the theory based on the method of multiscale asymptotic expansions. The nonlinear equations for large-scale motion have been derived in the third order of the perturbation theory. We have investigated the linear instability and stationary nonlinear regimes. Solutions in the form of localized vortex structures or kinks of a new type have been obtained.     

Modelling of guided-wave Bragg gratings and grating sensors using the collocation method

We have used the collocation method to model the characteristics of guided-wave Bragg gratings. The collocation method being a total field method, takes into account all modes, guided as well as radiation. We have first studied the effect of the grating structural parameters such as the grating profile and the duty cycle of periodic variation and have shown that these can have significant effect on the Bragg wavelength and the reflection spectrum. We have then obtained the response characteristics of gratings for their use in strain, temperature and pressure sensing. Our results compare very well with available experimental results. Comparisons with the coupled mode theory have also been included.     

Quantum glassiness in strongly correlated clean systems: an example of topological overprotection

This Letter presents solvable examples of quantum many-body Hamiltonians of systems that are unable to reach their ground states as the environment temperature is lowered to absolute zero. These examples, three-dimensional generalizations of quantum Hamiltonians proposed for topological quantum computing, (1) have no quenched disorder, (2) have solely local interactions, (3) have an exactly solvable spectrum, (4) have topologically ordered ground states, and (5) have slow dynamical relaxation rates akin to those of strong structural glasses.     

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.     

Investigation of the radial compression of carbon nanotubes with a scanning probe microscope

Efforts have been made to characterize the mechanical properties of carbon nanotubes. Previous work has concentrated on the tubes' longitudinal properties, and studies of their radial properties have lagged behind. We have used a scanning probe microscope with an indentation/scratch function to investigate the radial compression of multiwalled carbon nanotubes under an asymmetric stress. In particular, we have determined the radial compressive elastic modulus at different compression levels and have estimated the compressive strength to be well beyond 5.3 GPa.     

RLC暂态电路的理论分析和数值模拟

利用Maple符号计算软件做RLC电路方程的拉普拉斯变换,得到电路的精确解,绘制解的图像,并且理论分析了这些解的特点,得到了一些有助于教学应用的结论.     

Structures of indium oxide nanobelts

Indium oxide nanobelts of growth directions of [100] type (majority) and [120] type (minor) have been found. The two types of nanobelts have the top and bottom surfaces being (001), while the [100] type nanobelts have side surfaces of (010) and a rectangular cross-section, and the [120] type nanobelts have a parallelogram cross-section. The nanobelts have a perfect crystal structure without the presence of line or planar defects.     

Surface tensions and stress tensors of liquid and solid clusters by molecular dynamics

Surface tension and pressure (stress) tensors of Lennard-Jones clusters, in the size range 200 ~ 2700 atoms/cluster, formed from evaporating liquid droplets were calculated in a Molecular Dynamics simulation. Icosahedral clusters have a much larger surface tension than decahedral, fcc, and hcp ones, meanwhile asymmetric icosahedral clusters have a lower surface tension. Fcc and hcp clusters have a very small surface tension. Decahedral clusters have a surface tension closer to that of fcc and hcp ones than to that of icosahedral ones, though both icosahedral and decahedral structures have five fold symmetry axis. Binary component clusters have a higher surface tension than single component ones.     

插入生长AlGaAs薄膜对InAs量子点探测器性能的影响

利用分子束外延生长获得的两个InAs量子点样品制备了n型的量子点红外探测器.对于其中一个器件，在InAs量子点有源区的底部和顶部分别插入生长了AlGaAs势垒层.利用透射电阻显微技术研究了两个样品的结构特性；利用光致发光光谱和光电流谱研究了两个器件的光电性质.实验结果表明，AlGaAs层的插入对器件的探测性质有显著的影响.利用有三维效质量近似模型的计算结果，指认了带内光电流谱中峰结构的起源.     

插入生长AlGaAs薄膜对InAs量子点探测器性能的影响

利用分子束外延生长获得的两个InAs量子点样品制备了n型的量子点红外探测器.对于其中一个器件,在InAs量子点有源区的底部和顶部分别插入生长了AlGaAs势垒层.利用透射电阻显微技术研究了两个样品的结构特性;利用光致发光光谱和光电流谱研究了两个器件的光电性质.实验结果表明,AlGaAs层的插入对器件的探测性质有显著的影响.利用有三维效质量近似模型的计算结果,指认了带内光电流谱中峰结构的起源. 关键词： InAs 量子点 AlGaAs薄膜 光致发光光谱 有效质量近似模型