Structural study of cubic pyrochlores based on quantum mechanical simulation

In the ideal A₂B₂O₆O′ pyrochlore structure, the x-value of O atom position is a variable parameter. In Bi_1.5ZnNb_1.5−xTa_xO₇ (BZNT) cubic pyrochlores, the x-values alter with the different compositions of Nb/Ta. In this work, a series of initial models for BZNT were established by analyzing X-ray diffraction data. Then three structure modifying methods, including Rietveld refinement, Rietveld refinement with energy and geometry optimization based on quantum mechanics, were employed to obtain the precise models using Materials Studio. Moreover, the reflectivities of BZNT were computed by quantum mechanical simulation based on the refined models. Comparing the simulation results from different modifying models with the experimental results, it is found that Rietveld refinement with energy optimization is the most accurate method for BZNT pyrochlores. According to the simulation results, the different reflectivities correspond well with various x-values of O atom positions in BZNT pyrochlores.     

Synthesis of TiO<Subscript>2</Subscript> Hybrid Molecular Imprinted Polymer for Ethofumesate Linked by Silane Coupling Agent

TiO₂ hybrid molecular imprinted polymer (MIP) for ethofumesate using methacrylic acid (MAA) as the functional monomer and silane coupling agent 3-(trimethoxysilyl) propylmethacrylate (KH570) as organic–inorganic connective bridge was synthesized via photo-excitation method. Hydrogen bond was proved to act between MAA and ethofumesate for pre- and post-polymerization binding properties as testified by UV spectrometric method. KH570 modified TiO₂ nanoparticles were prepared via sonochemical reaction, which can accelerate hydrolysis, increase collision chance for the reactive system and improve the dispersion of the nanoparticles. Scanning electron microscope (SEM), transmission electron microscope (TEM), binding and the adsorption kinetics experiments as well as thermogravimetric analysis (TGA) were employed for characterization. The results indicated that the hybrid MIP revealed a larger surface area and more ordered imprinting cavities with improved thermal stability compared to organic-only MIP. Furthermore, faster adsorption kinetics and enhancive adsorption capacity were achieved, which made it promising in chemical sensor applications.     

Electrical characteristics of the ITO/HgInTe photodiodes

Photodiodes designed to be sensitive in the region 0.5–1.7 μm and obtained by vacuum magnetron sputtering of the ITO (SnO₂ + In₂O₃) layer on the surface of the Hg₃In₂Te₆ single crystal are studied. The electrical characteristics, measured at 265–333 K, indicate that the mechanism of charge transport in the diodes under study is thermionic. The current-voltage characteristic and its temperature variations are described quantitatively based on the energy diagram and the found parameters of the heterojunction. Original Russian Text ? L.A. Kosyachenko, I.M. Rarenko, E.F. Sklyarchuk, I.I. German, Sun Weiguo, 2006, published in Fizika i Tekhnika Poluprovodnikov, 2006, Vol. 40, No. 5, pp. 568–571.     

Effect of surfactants and liquid hydrocarbons on gas hydrate formation rate and storage capacity

Hydrate formation rate plays an important role in making hydrates for the storage and transport of natural gas. Micellar surfactant solutions were found to increase gas hydrate formation rate and storage capacity. With the presence of surfactant, hydrate could form quickly in a quiescent system and the energy costs of hydrate formation reduced. Surfactants (an anionic surfactant, a non‐ionic surfactant and their mixtures) and liquid hydrocarbons (cyclopentane and methylcyclohexane) were used to improve hydrate formation. The experiments of hydrate formation were carried out in the pressure range 3.69–6.82 MPa and the temperature range 274.05–277.55 K. The experimental pressures were kept constant during hydrate formation in each experimental run. The effect of anionic surfactant (sodium dodecyl sulphate (SDS)) on natural gas storage in hydrates is more pronounced compared to a non‐ionic surfactant (dodecyl polysaccharide glycoside (DPG)). The induction time of hydrate formation was reduced with the presence of cyclopentane (CP). Cyclopentane and methylcyclohexane (MCH) could increase hydrate formation rate, but reduced hydrate storage capacity The higher methylcyclohexane concentration, the lower the hydrate storage capacity. Copyright © 2003 John Wiley & Sons, Ltd.     

宝钢2300 mm宽厚板连铸机扇形段的质量控制

扇形段是连铸机组中的主要设备,扇形段制造水平的高低将直接影响到板坯厚度的均匀性,对最终的钢板轧制质量起着十分重要的作用。阐述扇形段主要部件的质量控制。     

Research on Marine Boiler＇s Pressurized Combustion and Heat Transfer

The effect of pressure on combustion and heat transfer is analyzed. The research is based on the basic combustion and heat transfer theorem. A correction for the heat calculation method for pressurized furnace is made on the basis of the normal pressure case. The correction takes the effect of pressurizing into account. The results show that the correction is reasonable and the method is applicable to combustion and heat transfer of the marine supercharged boiler.     

化学事故危害评估

根据化学事故危害的主要影响因素对化学事故进行危害评估,考查了危害纵深、人员杀伤率、危害地域估算、爆炸燃烧事故危害等内容。     

Average consensus in networks of dynamic agents with switching topologies and multiple time-varying delays

In this paper, we discuss average consensus problem in undirected networks of dynamic agents with fixed and switching topologies as well as multiple time-varying communication delays. By employing a linear matrix inequality method, we prove that all the nodes in the network achieve average consensus asymptotically for appropriate communication delays if the network topology is connected. Particularly, several feasible linear matrix inequalities are established to determine the maximal allowable upper bound of time-varying communication delays. Numerical examples are given to demonstrate the effectiveness and the sharpness of the theoretical results.     

Tri-Gate Bulk MOSFET Design for CMOS Scaling to the End of the Roadmap

A tri-gate bulk MOSFET design utilizing a low-aspect-ratio channel is proposed to provide an evolutionary pathway for CMOS scaling to the end of the roadmap. 3-D device simulations indicate that this design offers the advantages of a multi-gate FET (reduced variability in performance and improved scalability) together with the advantages of a conventional planar MOSFET (low substrate cost and capability for dynamic threshold-voltage control).     

Optimal and self‐tuning fusion Kalman filters for discrete‐time stochastic singular systems

Based on the optimal fusion estimation algorithm weighted by scalars in the linear minimum variance sense, a distributed optimal fusion Kalman filter weighted by scalars is presented for discrete‐time stochastic singular systems with multiple sensors and correlated noises. A cross‐covariance matrix of filtering errors between any two sensors is derived. When the noise statistical information is unknown, a distributed identification approach is presented based on correlation functions and the weighted average method. Further, a distributed self‐tuning fusion filter is given, which includes two stage fusions where the first‐stage fusion is used to identify the noise covariance and the second‐stage fusion is used to obtain the fusion state filter. A simulation verifies the effectiveness of the proposed algorithm. Copyright © 2008 John Wiley & Sons, Ltd.