一类非平稳时间序列的周期性

本文研究了一类非平稳时间序列的稳定性及周期性，得到了它为周期相关序列的充分必要条件，推广了文献[3]的结论．     

柱形量子点中的三阶极化率

利用量子力学的密度矩阵理论,在有效质量近似下，采用有限深势阱模型，导出了柱形量子点的三阶非线性极化率的解析表达式.通过数值计算，分析了GaAs/AlβGa1－βAs柱形量子点的三阶非线性极化率与量子点尺寸、掺杂浓度、入射光的频率和偏振方向等参量的关系.结果表明，三阶极化率峰值位置与这些参量密切相关，并且对于确定频率和偏振方向的入射光以及材料的掺杂浓度，存在与之相匹配的量子点尺寸，使三阶极化率达到极大，比体材料的相应值高出2个数量级以上.     

Active role of buried ultrathin oxide layers in adsorption of O2 on Au films

Ultrathin oxide layers can exhibit special behavior by enabling the coupling of structural distortions and charge transfer beyond that allowed in the bulk. In this work, we show from first-principles calculations that ultrathin layers of titania, a prototypical oxide, are active in stabilizing adsorption of O₂ on Au overlayers. The adsorbed O₂ molecules induce charge redistribution in Au that penetrates to the Au-titania interface, which responds through structural distortions that lower the total energy of the system. We suggest that this effect may be of more general nature and useful in catalysis.     

Characteristic time scales of velocity and pressure events

Numerical and wind tunnel simulations of full-scale wind loads on structures are usually performed at a lower Reynolds number and different turbulence parameters. One way to assess the validity of such simulations is through matching magnitudes, duration and/or spectral characteristics of simulated pressure peaks with full-scale data. Because wavelet analysis provides a time/frequency decomposition, it has been proposed as an analysis tool for the intermittent and transient pressure peaks. This work aims at answering the question as to whether different wavelets yield the same-scale decomposition of pressure peaks and velocity events and could, thus, be used as a tool for the analysis of extreme loads on structures. The results show that, by isolating the peaks or events with a modified Gaussian window prior to applying the wavelet transform, the dependence of the measured time scale on different wavelet functions is reduced. The time scales of the pressure peak and the velocity event are estimated to be about the same indicating that one contributing factor, at the peak scale, to the pressure peak lies in the variation of the incoming flow at the same scale.     

无穷时滞泛函微分方程的正周期解

利用范数形式的锥拉伸和锥压缩不动点定理讨论具有无穷时滞泛函微分方程的周期解问题,获得了正周期解的存在性定理,并给出了定理的若干应用.     

Portraits of some representatives of metal boride carbide and boride silicide compounds

Different ternary alkaline-earth and rare-earth metal boron carbide and silicide compounds are examined using the solid-state language of Zintl-Klemm concept, band structures, and density of states, in order to show that the topology of the non-metal sub-lattice is highly dependent on the electron count. It is also shown that the chemistry of rare-earth metal-boron-silicon does not parallel that of rare-earth metal-boron-carbon. B-C bonds are easily formed in the latter, leading to a large variety of different structural arrangements, whereas Si-B bonds are hardly observed in the former, except in insertion compounds.     

Differential algebraic method for time of flight property of electrostatic electron lenses

Differential algebraic method is a powerful technique in computer numerical analysis. It presents a straightforward method for computing arbitrary order derivatives of functions with extreme high accuracy limited only by the truncation error of the computer. When applied to nonlinear dynamical systems, the arbitrary high-order transfer properties of the systems can be computed directly with high precision. In this article, the time of flight (TOF) property of electrostatic electron lens systems is studied by differential algebraic method and their arbitrary order TOF transfer properties can be numerically calculated. As an example, Schiske's model electrostatic lens has been studied by the efficient differential algebraic TOF method.     

A short-range correlation energy density functional with multi-determinantal reference

We introduce a short-range correlation density functional defined with respect to a multi-determinantal reference which is meant to be used in a multi-determinantal extension of the Kohn–Sham scheme of density functional theory based on a long-range/short-range decomposition of the Coulomb electron–electron interaction. We construct the local density approximation for this functional and discuss its performance on the He atom.     

Ab-initio study of doped nanostructures—Mn-doped ultrathin ZnS films

An ab-initio study of the effects of the quantum confinement has been performed for the first time in the ultrathin ZnS films: unpassivated, passivated and the Mn-doped ones. A self-consistent full potential linear muffin tin orbital (FP-LMTO) method has been employed. The studied films have comparatively a large thickness range of 2.7–29.7 Å. The fundamental band gap increases exponentially with decrease in the size of the quantum confinement. The Mn-doped films reveal the localized impurity-induced states within the band gap and also in the conduction band region. The intense optical transitions between the Mn-induced states will appear at about 2.1 eV which is in excellent agreement with the observed peak in the photoluminescence experiments.