一个新的等参数奇异单元

本文推导得到了一个新的等参数奇异单元,它仍然是四边形四分之一节点奇异元。数值实验表明,它要比常用的四边形四分之一节点奇异元精度更好,使用这种单元可以使断裂问题的有限元计算效果更好。在计算过程中还利用到改进等参变换。     

Methane activation over Ag-exchanged ZSM-5 zeolites: A theoretical study

Methane activation catalyzed over Ag-exchanged ZSM-5 zeolites was investigated by using the density functional theory (DFT) with a cluster model. Two different pathways were taken into account in this work: the “alkyl” and the “carbenium” pathways. The activation barriers obtained are 34.09 and 66.63 kcal/mol for the “alkyl” and the “carbenium” pathway, respectively. The calculated results show that the activation barrier of the “alkyl” pathway is smaller than that of “carbenium” pathway. Consequently, the “alkyl” pathway is the preferential reaction pathway. A new mechanism of methane conversion in the presence of ethene was proposed. In the catalytic cycle, the initial step of methane activation proceeds with the “alkyl” pathway and the Ag⁺ cation acts as an acceptor of the methyl group, then ethene reacts with the Ag⁺CH₃⁻ group to form propene. In addition, it is found that the Ag⁺ cations play an important role in the methane activation, compared with the reaction of methane activation over H-ZSM-5.     

Study on the interaction between promethazine hydrochloride and bovine serum albumin by fluorescence spectroscopy

The interaction between promethazine hydrochloride (PMT) and bovine serum albumin (BSA) in vitro was investigated by means of fluorescence spectroscopy and absorption spectroscopy. The fluorescence of BSA was quenched remarkably by PMT and the quenching mechanism was considered as static quenching by forming a complex. The association constants K_a and the number of binding sites n were calculated at different temperatures. The BSA-PMT binding distance was determined to be less than 8 nm, suggesting that energy transfer from BSA to PMT may occur. The thermodynamic parameters of the interaction between PMT and BSA were measured according to the van’t Hoff equation. The enthalpy change (ΔH) and entropy change (ΔS) were calculated to be −23.62 kJ mol⁻¹ and −0.10 J mol⁻¹ K⁻¹, respectively, which indicated that the interaction of PMT with BSA was driven mainly by van der Waals forces and hydrogen bonds. The binding process was a spontaneous process in which Gibbs free energy change (ΔG) was negative. In addition, the results of synchronous fluorescence spectra and three-dimensional fluorescence spectra showed that binding of PMT with BSA can induce conformational changes in BSA.     

Effects of rapid thermal annealing on the optical properties of InAs/(In)GaAs quantum dots with different areal density

The effects of rapid thermal annealing on the optical properties of InAs/(In)GaAs quantum dots (QDs) with different areal density were investigated by photoluminescence (PL) measurement. The annealing results in PL peak energy blue-shift which strongly depends on QD areal density and capping layer. It is noticeable that low-density QDs and/or InGaAs-capped QDs are more sensitive to the annealing. We attribute the larger energy blue-shift from these samples to enhanced strain-driven diffusion and/or defect-assisted diffusion.     

Luminescent properties of La2LiTaO6:Mn4+ and its application as red emission LEDs phosphor

A novel phosphor, Mn⁴⁺ doped La₂LiTaO₆, was developed by solid-state reaction method. The luminescent spectra and emission efficiencies of La₂LiTaO₆:Mn _x ⁴⁺ (x = 0.001, 0.003, 0.005 and 0.01) were discussed. The effects of co-doped charge compensation ions, M = Mg²⁺, Ca²⁺, Na⁺, were investigated, respectively. The excitation spectra indicated that La₂LiTaO₆:Mn⁴⁺ could be effectively excited by both NUV light and blue light. The emission spectra of the phosphor exhibit a broadband ranging from 670 to 720 nm with the maximum at about 709 nm in deep red region. The co-doping of Mg²⁺ could significantly improve the luminescent properties of La₂LiTaO₆:Mn⁴⁺. Thus, phosphor La₂LiTaO₆:Mn⁴⁺, Mg²⁺ can serve as a key component to improve color rendering of blue-chip white-LEDs.     

Accurate method for measuring the thermal coefficient of group birefringence of polarization-maintaining fibers

We present a method to accurately measure the group birefringence variation with temperature in high-birefringence polarization-maintaining (PM) fibers using a distributed polarization analyzer. By analyzing polarization cross-talk peaks purposely induced at both ends of a PM fiber, the temperature coefficient of group birefringence can be accurately obtained. We confirm the theoretical prediction that the group birefringence of PANDA and TIGER PM fibers decrease linearly with temperature from -40 °C to 80 °C, and find that the temperature coefficients are -5.93 × 10(-7) °C(-1) and -5.29 × 10(-7) °C(-1) for two types of PANDA fibers, and -5.36 × 10(-7) °C(-1) for a TIGER fiber.     

Leakage current and pyroelectric properties of compositionally graded (Pb,Ca)TiO<Subscript>3</Subscript> films

Highly (100)-oriented, compositionally graded (Pb,Ca)TiO₃ (PCT) thin films with a Ca content from 0 to 24 mol% on Pt/Ti/SiO₂/Si substrates were prepared by a sol-gel process. The graded structure of the Au/PCT/Pt film capacitor showed a well-saturated hysteresis loop at an applied field of 500 kV/cm with remanent polarization (P_r), and coercive electric field (E_c) values of 9.35 C/cm² and 130 kV/cm, respectively. At 100 kHz, the dielectric constant and dielectric loss of the film were 129 and 0.024, respectively. The leakage current density of the graded PCT film was less than 1.0×10^-7 A/cm² over a voltage range from 0 to 4 V. The conduction current depended on the voltage polarity. At low electric field (110 and 180 kV/cm, respectively, for Pt and Au electrodes biased negatively), the Au/PCT and PCT/Pt interfaces form a Schottky barrier. At high electric field (>110 kV/cm), the Au electrode biased negatively shows space-charge-limited current (SCLC) behavior. The temperature dependencies of the pyroelectric coefficients of the graded PCT film were measured by a dynamic technique. From 20 to 82 °C, the pyroelectric coefficients of graded PCT film remain steady in the range 106 to 118 C/m²K. The detectivity figure of merit (F_D) of the graded PCT film was 6.7×10^-6 Pa^-0.5. PACS 77.80.-s; 77.70.+a; 77.22.-d; 51.50.+v; 68.37.-d     

Study on the surface erosion route to the fabrication of TiO2 hollow spheres

Three-dimensional (3D) architecture of TiO₂ hollow sphere has many excellent and interesting performances that attract significant attention nowadays. In this paper, a simple surface erosion approach to the fabrication of TiO₂ hollow spheres via the hydrothermal process has been developed. The morphologies and the phase were characterized by scanning electron microscopy (SEM) and X-ray diffractometer (XRD). The results indicate that the anatase-type TiO₂ hollow spheres with a diameter of ∼1 μm are successfully synthesized. The shell thickness of TiO₂ hollow spheres is ∼150 nm and the size of hollow cavity is ∼600 nm. By the control experiments, the influence of ammonium fluoride and hydrogen peroxide on the hollow spherical structures was studied. Hydrogen peroxide acts as both the oxidant and the bubble generator, ammonium fluoride is crucial for the erosion and dissolution of titanium, the detailed dissolution-crystallization mechanism for the formation of TiO₂ hollow spheres was also proposed.     

Skin-effect analysis of a shielded polymer Y-fed coupler electro-optic modulator over a wide bandwidth of 94 GHz

A novel technique and related formulations are proposed for analyzing the influences of the skin-effect on the performances of a polymer Y-fed coupler electro-optic modulator with shielded push-pull micro-strip electrodes. Using the extended point-matching method, coupled mode theory and electro-optic modulation theory, thorough design and optimization are performed. By introducing the effective applied voltage, formulas of the high-frequency response under skin-effect are deduced, and characteristics under skin-effect are analyzed. Under the central wavelength of 1550 nm, the half-wave voltage is as low as 1.097 V for the device with an active region length about 8.884 mm. Considering the influences of the skin-effect, the 3-dB modulating bandwidth of the microwave signal is up to 94 GHz. A high extinction ratio of more than 20 dB and a low insertion loss of less than 4.18 dB are achieved when the microwave frequency is below 68 GHz under skin-effect. This design technique is proven to be accurate by the comparison with the beam propagation method (BPM).