The polarization dependence of the multipole absorption probability and the optical activity of racemic mixtures

The dynamics of concentration fluctuations of polystyrene ([Mbar] _w = 20 000) in cyclohexane are studied as a function of temperature and concentration using the photon correlation spectroscopic technique. Over a 60°C temperature range, the translational diffusion coefficient [Dbar] _c changes by more than two orders of magnitude. At a given temperature, [Dbar] _c first decreases with increasing concentration until a critical concentration C* at 22 per cent is reached, beyond which [Dbar] _c increases with increasing concentration, reaching a maximum at higher concentration. The critical concentration C* is insensitive to temperature variations and cannot be identified with the overlap concentration of the entangled polymer. The scattering intensity as a function of concentration also shows a maximum at C*, suggesting that the slowing down of concentration fluctuations due to the decrease in (?μ/?C) _P,T is responsible for the intensity maximum. It is concluded that the emergence of the cooperative motion at C* is closely related to the effects of critical phenomena observed at the cloud point.     

The influence of the structural characteristics of the substrate and the medium on the stability of triflusal and acetylsalicylic acid in micellar systems

A spectrophotometric study of the alkaline hydrolysis of two salicylic acid (SA) derived drugs, performed on acetylsalicylic acid (ASA) and triflusal, both in the absence and presence of cationic micelles. In the absence of micelles, a catalytic effect is produced by the favoured OH⁻ ion in the molecule of triflusal, due to the presence of the trifluoromethyl group. The surfactants used were: hexadecyltrimethylammonium hydroxide (HDTAOH), hexadecyltrimethylammonium chloride (HDTACl), hexadecyltrimethylammonium bromide (HDTABr), hexadecylethyldimethylammonium bromide (HDEDABr) and tetradecyltrimethylammonium bromide (TDTABr). In micelles with reactive counterions, the pseudo-first-order rate constant (k_obs) increases with the increase in surfactant concentration, while in micelles with non-reactive counterions, the rate constant increased with surfactant concentration at low concentration, reaching a maximum, and decreased at high surfactant concentration, even to below the value found in the absence of micelle. The micellar binding constant of both drugs (K_S), the micellar rate constant (k_M) and the ion-exchange constant (K_X^OH) were determined according to variation in k_obs in relation to surfactant concentration, through the application of the pseudophase ion-exchange model (PPIE) proposed. The empirical parameters obtained were found to depend on the substrate and the surfactant structure, these parameters were: the counterion of the micelle, the size of the headgroup and the chain length of the hydrophobic tail of the surfactant.     

Measurements of carbon dioxide and oxygen concentrations in a diffusion respirator on the basis of track membranes

Concentrations of CO₂ and O₂ in the breathing hose and inside the mask of the diffusion respirator have been measured using an atomic emission spectrometer. The gas exchange system of this respirator efficiently, within 1 min, restores oxygen concentration in the inhaled air from 18.5 vol % to its atmospheric concentration (21 vol %) and carbon dioxide concentration from 2.9 vol % to a stationary concentration of ～0.12 vol %. In the optimal configuration of the respirator, CO₂ concentration inside the mask during breath is 0.23 vol %. The time resolution of the method is 200 ms and the CO₂ detection limit is 0.08 vol %.     

Determination of diffusion and activity coefficients in the gallium-indium system by the contact-melting method

The concentration profile in the liquid layer and the rate of contact melting are derived. These characteristics are found as functions of the self-diffusion coefficients D_A and D_B of the components and of the activity coefficients in the regular-solution approximation. Comparison of these equations with the experimental concentration profile and with the experimental contact-melting rate allows calculation of D_A, D_B, and the factork in the expression for Inf in the Ga-In system.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 4, pp. 53–57, April, 1971.     

The effects of hydrogen peroxide on the sonochemical degradation of phenol and bisphenol A

This report describes the effects of H₂O₂ concentration (0.01, 0.1, 1, and 10 mM) on the sonochemical degradation of phenol and bisphenol A (BPA) using an ultrasonic source of 35 kHz and 0.08 W/mL. The concentration of the target pollutants (phenol or BPA), total organic carbon (TOC), and H₂O₂ were monitored for each input concentration of H₂O₂. The effects of H₂O₂ on the sonochemical degradation of phenol was more significant than that of BPA because phenol has a high solubility and low octanol–water partition coefficient (K_ow) value and is subsequently very likely to remain in the aqueous phase, giving it a greater probability of reacting with H₂O₂. The removal of TOC was also enhanced by the addition of H₂O₂. Some intermediates of BPA have a high K_ow value and subsequently have a greater probability of pyrolyzing by the high temperatures and pressures inside of cavitation bubbles. Thus the removal efficiency of TOC in BPA was higher than that of phenol. The removal efficiencies of TOC were lower than the degradation efficiencies of phenol and BPA. This result is due to the fact that some intermediates cannot readily degrade during the sonochemical reaction. The H₂O₂ concentration decreased but was not completely consumed during the sonochemical degradation of pollutants. The initial H₂O₂ concentration and the physical/chemical characteristics of pollutants were considered to be important factors in determining the formation rate of the H₂O₂. When high concentration of H₂O₂ was added to the solution, the formation rates were relatively low compared to when low concentrations of H₂O₂ were used.     

ZnO高掺杂Ga的浓度对导电性能和红移效应影响的第一性原理研究

采用基于密度泛函理论框架下的第一性原理平面波超软赝势方法,在相同环境条件下建立了浓度不同的由Ga原子取代Zn原子的Zn_1-xGa_xO模型.对低温高掺杂Ga原子的Zn_1-xGa_xO半导体的能带结构、态密度和吸收光谱进行了计算.结果表明:Ga原子浓度越大,进入导带的相对电子数越多,但是电子迁移率反而减小.通过对掺杂和未掺杂ZnO的电导率以及最小间隙带宽度分别进行了比较 关键词： ZnO高掺杂Ga 电导率 红移 第一性原理     

Effect of zinc nitrate concentration on the structural and the optical properties of ZnO nanostructures

ZnO nanorods and nanodisks were formed on indium-tin-oxide-coated glass substrates by using an electrochemical deposition method. Scanning electron microscopy images showed that the ZnO nanorods were transformed into nanodisks with increasing Zn(NO₃)₂ concentration. X-ray diffraction patterns showed that the ZnO nanostructures had wurzite structures. The full widths at half maxima of the near band-edge emission peak of photoluminescence spectra at 300 K for ZnO nanorods were small, indicative of the high quality of the nanorods. These results indicate that the structural and the optical properties of ZnO nanostructures vary by changing Zn(NO₃)₂ concentration.     

Investigation of the running-in process and friction coefficient under the lubrication of ionic liquid/water mixture

The tribological properties of three different films commonly used in microelectromechanical systems (MEMS) under the lubrication of ionic liquid (IL)/water mixtures with various concentrations in the running-in process have been investigated. Results show that coefficients of friction (COFs) and wear rates for low temperature silicon oxide (LTO)/Si₃N₄ vary in a similar way to the ones for poly-Si/Si₃N₄ under the lubrications of different IL/water mixtures. In contrast, the differences in COFs and wear rates are more significant in that the COFs and wear rates increase dramatically with the decrease in IL/water concentration in the case of self-mated Si₃N₄, while the differences in COFs and wear rates for the two other tribopairs are relatively small when the concentration is changed. The period of the running-in process reduces with the increase in IL/water concentration for all the tribopairs. Effective hydrodynamic lubrication can be found in the case of Si₃N₄/Si₃N₄ tribopair at higher IL/water concentrations without an evident running-in process, however, such a phenomenon cannot be observed for the other two tribopairs. Different wear mechanisms will also be analyzed in this paper.     

Numerical simulation of the mixing kinetics of an iodine-containing flow and the oxygen flow excited in the electric-discharge oxygen-iodine laser

A parametric analysis has been carried out to discover how the concentration of atomic oxygen in the O₂: O₂ (¹Δ_g): O flow and the degree of predissociation and concentration of molecular iodine in the I₂: He mixture affect the temperature regime and the formation of the inverse population at the atomic iodine laser transition at elevated pressures of P = 5–10 Torr in a simulated system with the axial injection of an I₂: He mixture in the EDSOG-excited oxygen flow.     

Pyrolysis synthesis of magnetic - and -MnO2 nanostructures and the polymorph discrimination

The concentration of the Mn(NO₃)₂ solution has significant influence on the morphologies and the phases of the MnO₂ products. A large number of ε- MnO₂ nanowires were prepared via a simple pyrolysis under lower reaction concentration. The nanowires have lengths up to tens of micrometers and diameters in the range of 20–100 nm. The β- MnO₂ nanobundles and nanoflowers were prepared by increasing the concentration of Mn(NO₃)₂ solution. The superparamagnetism of ε- MnO₂ nanowires and paramagnetism of β- MnO₂ nanoflowers indicate their potential applications in magnetic materials.     

Effects of UV radiation on the preparation of polypyrrole in the presence of hydrogen peroxide

Conductive polypyrrole was synthesized with hydrogen peroxide (H₂O₂) as the oxidant. To promote the polymerization of pyrrole, UV radiation was employed. The effects of UV radiation on the preparation of polypyrrole were investigated. The polymerization of pyrrole was conducted with the H₂O₂ concentration in the range of 0.12–0.96?M and the H₂SO₄ concentration in the range of 6.8×10^?4–0.19?M. The structure characterization indicated that the product polypyrrole was overoxidized partly depending on the concentrations of H₂SO₄ and H₂O₂. The increase in H₂O₂ concentration led to a slight increase in the oxidation and overoxidation of polypyrrole, simultaneously. However, the increase in H₂SO₄ concentration effectively suppressed the overoxidation of polypyrrole. The morphology, conductivity and thermal stability of the products were also characterized.     

The Ginzburg-Landau expansion and the slope of the upper critical field in superconductors with anisotropic normal-impurity scattering

We carry out the Ginzburg-Landau expansion for superconductors with anisotropic s and d pairing in the presence of anisotropic normal-impurity scattering, which enhances the stability of d pairing with respect to disordering. We find that the slope of the curve of the upper critical field, |dH _c2/dT|_{T c}, in superconductors with d pairing behaves nonlinearly as disorder grows: at low scattering anisotropy the slope rapidly decreases with increasing impurity concentration, then gradually but nonlinearly increases with concentration, reaches its maximum, and then rapidly decreases, vanishing at the critical impurity concentration. In superconductors with anisotropic s pairing, |dH _c2/dT|_{T c} always increases with impurity concentration, finally reaching the familiar asymptotic value characteristic of the isotropic case, irrespective of whether there is anisotropic impurity scattering. Zh. éksp. Teor. Fiz. 112, 2124–2133 (December 1997)     

Investigation of the influence of nonstoichiometry and doping with carbon and nitrogen on the electronic spectrum of rutile by the coherent potential method

The electronic spectra and magnetic properties of rutile (TiO₂), nonstoichiometric rutile (TiO_{2 ? δ}), and stoichiometric and nonstoichiometric rutiles doped with carbon or nitrogen (TiO_{2 ? y ? δ}C _y and TiO_{2 ? y ? δ}N _y , y(δ) = 0, 0.03, 0.06) have been calculated using the coherent potential method. The used method of investigation has made it possible for the first time to calculate the disordered arrangement of impurity atoms and vacancies in the oxygen sublattice with their arbitrary concentration. The changes in the electronic spectrum and magnetic properties with variations in the concentration of dopants have been investigated. The possible photocatalytic activity of considered compositions has been analyzed.     

Temperature dependence of the short-range order parameter and the concentration dependence of the order-disorder temperature for NiPt and NiFe systems in the improved statistical pseudopotential approximation

The calculations for the temperature dependence of the first shell short- range order (SRO) parameter for Ni₃Fe using the cubic approximation of Tahir Kheli, and the concentration dependence of order-disorder temperature T_c for NiFe and NiPt systems using the linear approximation, have been carried out in the framework of pseudopotential theory. It is shown that the cubic approximation yields a good agreement between the theoretical prediction of the α₁ and the experimental data. Results for the concentration dependence of the T_c show that improvements in the statistical pseudopotential approach are essential to achieve a good agreement with experiment.     

Improvement of the structural and magnetic properties of Permalloy/Gadolinium multilayers with Mo spacers

We have studied the influence of the growth conditions on the structural characteristics of sputtered Py(Fe₂₀Ni₈₀)/ Gd/Py(Fe₂₀Ni₈₀) thin films. Auger electron spectroscopy reveals the existence of Ni in the Gd layer. The Ni concentration profile appears asymmetric with a higher concentration close to the top Py layer. This asymmetrical Ni concentration produces a different coercivity of each Py layer. It is possible to reduce the Ni interdiffusion by using multilayers based on Py/Gd bilayers separated by Mo spacers between the Py/Gd bilayers. In these samples we have obtained an enhancement of the structural and magnetic properties. PACS 81.15.Cd; 66.30.-h     

N2分压对ZrN/WN纳米多层膜缺陷性质与力学性能的影响

利用射频磁控溅射系统在不同N₂分压的条件下，制备了一系列ZrN/WN纳米多层膜.借助慢正电子湮没技术分析了样品的缺陷性质，采用纳米压痕仪研究了多层膜的力学性能.结果发现：N₂分压为0.4Pa的多层膜具有最小的空位型缺陷浓度，其中心层和膜基结合层的平均S参数分别为0.4402和0.4641，而较低或较高的N₂分压都可能导致空位型缺陷浓度的增加.随着空位型缺陷浓度的减小，多层膜的硬度和临界载荷增大.对于空位型缺陷浓度最小的多层膜，其硬度和临界载荷达到最大值，分别为34.8GPa和100mN，说明较低的缺陷浓度有利于提高多层膜的力学性能. 关键词： ZrN/WN纳米多层膜 缺陷性质 力学性能 慢正电子湮没     

Determination of the nonequilibrium concentration of vacancies in silicon crystals by measuring the concentration of nickel atoms at lattice sites

A method is proposed for determining the nonequilibrium concentration of vacancies and vacancy complexes in silicon crystals by measuring the concentration of electrically active nickel atoms at the sites of the silicon lattice, [Ni _s ], after the diffusion of nickel at temperatures from 550 to 650°C. It is shown experimentally that, after the diffusion of nickel from the surface into silicon samples with different initial nonequilibrium concentrations of vacancy complexes, [V]_init, formed during crystal growth, the concentration [Ni _s ] in the bulk of a sample to a good degree of accuracy corresponds to the vacancy concentration [V]_init determined by a standard method based on the analysis of the concentration profiles of [Au _s ] after the diffusion of gold from the surface. This method for determining the concentration of vacancies is much simpler than the standard method and allows one to use lower temperatures and a lower thermal budget.     

First-principle study on the effect of high Li-2N co-doping on the conductivity of ZnO

Based on the density functional theory (DFT), using first-principles plane-wave ultrasoft pseudopotential method, the models of the unit cell of pure ZnO and two highly Li-2N co-doped supercells of Zn_0.9375Li_0.0625O_0.875N_0.125 and Zn_0.9167Li_0.0833O_0.8333N_0.1667 were constructed, and the geometry optimization for the three models was carried out. The total density of states (TDOS) and the band structures (BS) were also calculated. The calculation results showed that in the range of high doping concentration, when the co-doping concentration is more than a certain value, the conductivity decreased with the increase of co-doping concentration of Li-2N in ZnO, which agrees with the change trend of the experimental results.     

Ga/N高共掺浓度对ZnO导电性能和红移影响的第一性原理研究

采用密度泛函理论框架下的第一性原理平面波超软赝势方法, 建立了未掺杂ZnO单胞和两种不同浓度的Ga/N高共掺ZnO超胞模型, 分别进行了几何结构优化、总态密度分布和能带分布的计算. 研究表明, ZnO高共掺Ga/N的条件下, Ga/N高共掺浓度越大, 导电性能越弱, 并且高掺杂后高能区红移效应显著, 计算得到的结果与实验结果的变化趋势一致. 关键词： Ga/N高共掺ZnO 电导率 红移 第一性原理     

Al高掺杂浓度对ZnO禁带和吸收光谱影响的第一性原理研究

采用密度泛函理论框架下的第一性原理平面波超软赝势方法, 建立了未掺杂与不同浓度的Al原子取代Zn原子的两种Zn_1-xAl_xO超胞模型,分别对模型进行了几何结构优化、态密度分布和能带分布的计算. 结果表明: ZnO高掺杂Al的条件下, 掺杂的Al原子浓度越大,间隙带越窄, 蓝移越弱. 计算结果和实验结果相一致.