钢轨轨缝接触-冲击的有限元分析

基于弹性点支承梁模型，采用三维非线性动力分析有限元程序ANSYS／LS-DYNA3D，建立了轮轨轨缝处接触一冲击有限元分析模型，通过模拟车轮经过轨缝时冲击钢轨接头的过程，研究了冲击过程中轨头的应力分布情况．结果表明：车轮冲击钢轨接头时，轮轨间最大垂向接触力出现在冲击开始后0．5ms左右，约为静载时的2．6倍，且在一定时间段里，轮轨间出现瞬时脱离现象．同时，轮轨间接触力及各种最大应力均随着轴重的增加成正比增大；当车轮冲击轨端瞬时，最大Von Mises等效应力出现在轨端头部，约为静接触时的3倍；最大剪应力发生在离轨顶面5mm处．研究结果对于揭示轨头的冲击破坏机理和改善铁路轨缝连接方式具有指导作用．     

Large-scale turbulence phenomena in compound rectangular channels

In this article we investigate turbulent flow of air through compound rectangular channels to experimentally investigate the turbulence phenomena in compound channels. Detailed experimental data of axial mean velocity, wall shear stresses, five of six Reynolds stresses, auto- and cross-spectral densities, and two-point space correlations were measured by hot-wire anemometry in 18 geometrical configurations.

The symmetry of the present flow appears to be better than that of previous measurements and the range of measurments is more extensive. The most interesting result is the existence of a quasi-periodic large-scale turbulence structure in most of the geometries investigated. This structure is stationary and independent of the axial position in the channel. It exists in any longitudinal slot or groove in a wall or a connecting gap between two flow channels, provided its depth is more than approximately twice its width. The frequency of this flow oscillation is determined by the geometry of the slot and is linearly dependent on the bulk velocity.     

Genesis of “Solitary Cations” Induced by Atomic Hydrogen

Substitution of constituent atoms and/or changes of crystal structure are routinely used to tailor the fundamental properties of a semiconductor. Here, it is shown that such a tailoring can also be realized thanks to a novel hydrogen effect. Four hydrogen atoms can screen the effect the crystal potential has on a constituent cation, thus generating a solitary cation: an effectively isolated impurity, so chemically different from the unscreened constituent cations that it strongly perturbs the electronic properties of the material by increasing its fundamental band‐gap energy. Such a hydrogen‐induced screening effect is removed by thermal treatments, thus permitting reversible modifications of both the “crystal chemistry” and material's properties. This phenomenon, observed in InN and other topical nitrides, should permit the development of a new class of materials as well as the fabrication of photonic devices and optical integrated circuits with distinct, tailor‐made regions emitting or absorbing light, all integrated onto a monolithic semiconductor structure.     

Physical design of a wavelength tunable fully coherent VUV source using a self-seeding free electron laser

In order to meet the requirements of the synchrotron radiation users, a fully coherent VUV free electron laser (FEL) has been preliminarily designed. One important goal of this design is that the radiation wavelength can be easily tuned in a broad range (70—170 nm). In the light of the users' demand and our actual conditions, the self-seeding scheme is adopted for this proposal. Firstly, we attempted to fix the electron energy and only changed the undulator gap to vary the radiation wavelength; however, our analysis implies that this is difficult because of the great difference of the power gain length and FEL efficiency at different wavelengths. Therefore, we have considered dividing the wavelength range into three subareas. In each subarea, a constant electron energy is used and the wavelength tuning is realized only by adjusting the undulator gap. The simulation results show that this scheme has an acceptable performance.     

Nb2Sin-(n=1-6) 团簇的几何构型、电子性质和磁性的理论研究

运用密度泛函方法在(U)B3LYP/LanL2DZ水平上研究了 (n=1～6)团簇的几何结构和电子性质．结果发现 (n=1～6)团簇只是在相应的Nb2Sin团簇的结构基础上发生了微小畸变．其中 团簇结构变化较为严重．对平均束缚能和分裂能的研究发现, 团簇的平均束缚能和分裂能均明显高于相应的Nb2Sin团簇,表明增加一个电子可以提高Nb2Sin(n=1～6)团簇的稳定性．通过对最低能构型的分裂能的研究发现, 团簇和Nb2Si3团簇分别是 和Nb2Sin(n=1～6)团簇中所有最低能构型中最稳定的．对电荷自然布局的研究发现,在 团簇中出现了电子反转．而对于Nb2Sin(n=1～6)团簇,当n=4～6时出现电子反转现象, n=1～2时电子转移符合常规． 对HOMO-LUMO能隙的研究结果表明,除了n=1,6外,其余 (n=2～5)团簇最低能结构的HOMO-LUMO 能隙均小于相应的Nb2Sin团簇,说明在这些团簇中增加一个电子增强了团簇的化学活性,但是当n=1、6时增加一个电子,该团簇的化学活性反而降低了．对于 (n=1～6)团簇来讲, 和 团簇分别成为 (n=1～6)团簇中化学稳定性最强和化学活性最强的．且 (n=1~6)团簇呈现半导体属性．对磁矩的研究结果表明, (n=1～6) 团簇的最低能结构的总磁矩均为1.00μB,两个Nb原子的局域磁矩方向,除了 团簇有一个铌原子与总磁矩相反外,其余均与总磁矩方向相同．说明各团簇中两个铌原子和硅原子对磁矩的贡献不同,方向也不完全相同．     

A novel technique to measure the sucrose concentration in hydrogel sucrose solution using two dimensional photonic crystal structures

We propose a novel technique to measure the concentration of sucrose in PAm-hydrogel sucrose solution using two dimensional photonic crystal structures consists of air holes. PAm-hydrogel is an organic hydrogels, which is used as biomedical applications. The principle of measurement is based on the linear variation of photonic band gap with the change of dielectric constant of the solution infiltrated in air holes of photonic crystal structure. Plane wave expansion method is used to find the band gap and linear variation (R² = 0.9949) of photonic band gap with respect to sucrose concentration is observed. Besides this, an excellent linear variation (R² = 0.9949) of transmitted intensity of light with respect to sucrose concentration is also seen. Since the simulation is based on optical principle, it gives accurate results. This suggests the possible use of 2-D photonic crystal structure as a sucrose sensor. Experimental procedure for measuring the concentration of sucrose is also mentioned.     

Effects of structural factors on filtering operation of photonic band gap air bridges with circular and square shape holes

Applying the finite element analysis on the photonic band-gap materials with a cavity at the center for two types of structures, circular and square shape holes with the same cross section, filtering operation of these structures is simulated and compared. Any variations in the structure parameters, such as cavity length, period and hole dimensions, change the transmission peak and frequency bandwidth of these structures. The effects of rotation of square holes and ellipticity of circular holes on filtering operation are studied. Other new structures such as tapered, shortened and non-uniform rotated structures are proposed and filtering characteristics of them are discussed. It is found that, by rotating the square holes around their axis, it is possible to have a blue-shift in the transmission peak wavelength without notable variations in the filter peak and bandwidth. It is concluded that the increase of elliptical holes diameters length causes the decrease of transmission peak and increase of bandwidth with blueshift of the peak wavelength. This shift is larger for one of the elliptical diameter values considered that is along the waveguide length.     

Effect of additives and precursor chemical structure on crystalline shape and optical properties of TiO2

This paper proposes a new simple approach for synthetic of shape-defined anatase nanocuboids TiO₂ by using combination of titanium tetra isopropoxide (TTIP) and orthotitanic acid (H₄TiO₄) as titanium precursor. In first step by adding precursor to ethanol solution mixed with HCl the primary sol has been prepared, therefore two other different films by adding Methylcellulose (MC) as a carbon containing material and adding TiO₂ nanopowder as nanofiller have been prepared and properties of thin film as a function of parameters of annealing temperature and additives, have been discussed. The films were deposited on glass substrates and characterized by using UV–vis spectroscopy and scanning electron microscopy (SEM). SEM results show that optical properties of TiO₂ thin films were changed by baking in 300, 400 and 500 °C as annealing temperature. Moreover, they indicate that the additives have strong effect on anatase structure and therefore influence the optical properties.     

小尺寸金属钨团簇的密度泛函研究

在相对论原子实势(RECP)近似下,采用密度泛函理论B3LYP方法对Wn(n=2~7)团簇进行优化,得出稳定的平衡几何结构。并计算了垂直电离能,最高占据轨道(HOMO)与最低非占据轨道(LOMO)之间的能隙。得出小尺寸金属钨团簇失去电子的能力随原子个数的增加而增大,W3的稳定性最好的结论。