SiO2-羟基表面上金属原子的第一性原理研究

采用第一性原理方法研究了SiO2-羟基表面上几种金属原子的吸附性质,发现In和Ga在SiO2-羟基表面上的结合很弱,而Fe,Co,Ni在该表面上与Si,O形成强的化学键.等势能面和扩散势垒计算表明In(Ga)的扩散激活能只有0.1-0.3 eV,表明这两种原子容易在表面上扩散.这些结果可以定性地解释纳米合成中的一些实验现象.     

磁场对四端量子波导中电子输运性质的影响

采用模匹配方法，研究了非均匀磁场下开放的四端量子波导中的电子输运性质. 结果表明，从一端入射的电子可以透射到两个与之垂直的输出端和一个与之平行的输出端. 在没有外加磁场的情况下，两个垂直输出端的输运概率是相同的，但垂直端与水平端的输运概率不同；在外加磁场下，由于磁边缘态效应，两个垂直输出端的输运概率也有着相当大的差别. 通过施加不同的磁场，我们能获得丰富的电子输运结构，如台阶，宽谷，尖峰等；通过调节磁场的大小和比例以及结构参数可控制该量子结构在各输出端的输运概率. 关键词： 电子输运 介观体系 磁效应     

Evaluation of Commodity Trading Advisors using fixed and variable and benchmark models

This paper examines the performance of Commodity Trading Advisors (CTAs) using fixed and variable benchmarking models. In order to avoid the troublesome passive and active commodity and managed futures benchmarks (indices) when examining the performance of CTAs, we innovate by using data envelopment analysis (DEA). Because this alternative class has non-linear returns due to long/short positions, and derivatives (i.e., dynamic trading strategies), DEA can alleviate the problems usually associated with these indices. The effectiveness of using benchmarking models in a DEA setting will provide investors with an alternative technique in assessing the performance and identifying efficient CTAs.     

Modeling of the microwave drying process of aqueous dielectrics

We propose a thermodynamic framework for describing the microwave drying process of aqueous dielectrics based on Maxwell-Lorentz Field equations and mixture theory. Several issues are discussed such as the form of entropy equation; the constitutive relations for the macroscopic electric polarization vectors, Cauchy stresses, heat fluxes, internal momentum supplies, etc., for each component of the mixture: porous solid, water and gas in different regions; and the interfacial jump conditions between different regions in the mixture. A brief examination of the status of material frame indifference within the context of our framework is presented.     

高性能ZnO纳米块体材料的制备及其拉曼光谱学特征

利用六面顶高压设备制备了高密度、低脆性、纳米级的ZnO块体材料，用MDI/JADE5 X射线衍射仪(Cu靶)和XL30S-FEG场发射扫描电子显微镜对高压样品的相组成、晶粒尺寸及微观形貌进行了表征.利用E55+FRA106/5傅里叶变换激光拉曼光谱仪通过ZnO块体样品位于50—500cm^-1之内的拉曼光谱, 研究了极性半导体纳米材料的拉曼光谱学特征.发现在极性半导体ZnO纳米块体材料中，没有出现明显的尺寸限制效应. 关键词： ZnO纳米块体 拉曼光谱 尺寸限制效应     

二阶Volterra系统对平稳正态激励的统计响应的表示定理的数学证明

1974年,Neal根据Kac和Siegert的思想,给出了一个在电子工程、海洋工程、建筑工程、航空工程、自动控制的随机振动中有重要应用的二阶Volterra非线性系统对平稳正态输入的统计响应的表示定理.1984年,Naess对此定理又给出了一个数学证明.经过研究后发现,他们对定理条件的叙述都是模糊的,而且其数学证明都是有问题的.本文重新讨论了这个表示定理,给出了明确的定理条件及严格的数学证明,为它的广泛应用奠定了理论基础.     

VOn±(n=0,1,2)的势能函数与光谱常数研究

用密度泛函B3LYP/6-311++G(d,p)方法和相对论有效实势(Lanl2dz基组)对VO^n±(n=0,1,2)分子离子的势能函数及光谱常数进行了分析. 结果表明它们都能稳定存在, 其基态电子状态分别是:⁴Σ(VO^2-), ³Σ(VO^-), ⁴Σ(VO), ³Σ(VO⁺)和²Σ(VO²⁺). 其中VO^2-和VO²⁺的势能函数曲线呈“火山口”型, 属于亚稳态分子离子. 用七参数Murell-Sorbie势拟合VO^2-和VO²⁺分子亚稳态双原子分子离子势能函数, 发现其拟合曲线与势能函数曲线符合得很好. 同时,讨论了电荷对势能函数和能级的影响. 关键词： 分子离子 密度泛函理论 势能函数 能级     

A comparison between degenerate paramagnetic oscillators and two-photon correlated-spontaneous-emission lasers

The degenerate parametric oscillator (DPO) is analyzed with the nonlinear material treated quantum mechanically. The source of squeezing in the DPO is the same as in the two-photon correlated-spontaneous-emission laser (CEL) — the level coherence. In this sense, they are similar. The amount of squeezing in DPO is the same as in the two-photon CEL at two-photon resonance, but the gain in DPO is usually much smaller than that in the two-photon CEL at two-photon resonance.     

Preparation, characterization and photocatalytic activity of polycrystalline Bi2O3/SrTiO3 composite powders

Bi₂O₃/SrTiO₃ composite powders have been prepared and their photocatalytic activities were investigated by photooxidation of methanol. These powders were characterized by UV-Visible diffuse reflectance spectra, SEM and X-ray diffraction (XRD). The results revealed that all the Bi₂O₃/SrTiO₃ composite powders exhibited higher photocatalytic activity than pure SrTiO₃, Bi₂O₃ and TiO₂ (P25) under visible light irradiation (λ>440 nm). The effects of the Bi₂O₃ contents on the photocatalytic activities of the composite powders were examined, the photocatalytic activities increased with the content of Bi₂O₃ increasing to a maximum of 83% and then decreased under visible light irradiation. The effects of the calcination temperatures on the photocatalytic activities of the composite powders were also investigated.     

Effect of nonlinear wave-current interaction on flow fields and hydrodynamic forces

A fifth-order theory for solving the problem of interaction between Stokes waves and exponential profile currents is proposed. The calculated flow fields are compared with measurements. Then the errors caused by the linear superposition method and approximate theory are discussed. It is found that the total wavccurrent field consists of pure wave, pure current and interaction components. The shear current not only directly changes the flow field, but also indirectly does so by changing the wave parameters due to wave-current interaction. The present theory can predict the wave kinematics on shear currents satisfactorily. The linear superposition method may give rise to more than 40% loading error in extreme conditions. When the apparent wave period is used and the Wheeler stretching method is adopted to extrapolate the current, application of the approximate theory is the best. Project supported by the Chinese Academy of Sciences.