CeO2的电子结构，光学和晶格动力学性质：第一性原理研究

基于考虑了Ce-4f电子间的库仑作用U和交换作用J的LDA+U方案,应用第一性原理计算系统研究了CeO₂的电子结构,光学和晶格动力学性质.电荷密度和电子局域函数的分布特征表明,CeO₂是属于共价键的绝缘体.介电常数、玻恩有效电荷张量和声子色散曲线的计算值和相应的实验结果符合得比较好. 关键词： 电子结构 光学性质 晶格动力学 第一性原理计算     

膜系光谱系数对膜层参数的一阶和二阶偏导数的计算模型

为了寻找一种膜系深入分析与设计的有力辅助计算工具,从光学薄膜光谱系数的矩阵计算理论出发,基于对矩阵求迹运算的巧妙运用,从数学上建立了准确计算膜系光谱系数关于膜层几何厚度、实际折射率和消光系数等膜层参数的一阶和二阶偏导数的解析模型。这一偏导数计算模型物理上与矩阵理论具有一致的通用性和普适性,适用于任何各向同性的均匀膜系统。在数学上也严格成立,数值编程计算不存在差分近似,精度达到了计算机浮点运算的极限精度。而且算法运算费时少,计算速度快,取得了高度准确性和便于实时化的双重优越性能,非常有利于应用于膜系设计领域来提高膜层数较大时的设计速度和效率。同时,这一模型能非常便捷和准确地给出膜系许多实用的导数信息,对膜系分析、测量和膜厚监控等领域中的相关应用具有重要的参考意义。     

Some New Lie Symmetry Groups of Differential-Difference Equations Obtained from a Simple Direct Method

In this paper, based on the symbolic computing system Maple, the direct method for Lie symmetry groups presented by Sen-Yue Lou [J. Phys. A： Math. Gen. 38 （2005） L129] is extended from the continuous differential equations to the differential-difference equations. With the extended method, we study the well-known differential-difference KP equation, KZ equation and （2＋1）-dimensional ANNV system, and both the Lie point symmetry groups and the non-Lie symmetry groups are obtained.     

New Two-Mode Coherent-Intermediate-Entangled State and Its Squeezing Operator

The coherent-intermediate-entangled state ｜α, x）λ,v is proposed in the two-mode Fock Space, which exhibits both the properties of the coherent and entangled states. The ｜α, x）λ,v makes up a new quantum mechanical representation, and the completeness relation of ｜α, x）λ,v is proved by virtue of the technique of integral within an ordered product of operators. The corresponding squeezing operators are derived. Furthermore, Generalized P-representation is constructed in the coherent-intermediate-entangled state ｜α, x）λ,v and the Schmidt decomposition of ｜α, x）λ,v is investigated.     

基于北斗/iNEMO惯性模块的机器人运动姿态解算方法

基于北斗/iNEMO惯性模块研究了一种组合式机器人运动姿态测量系统和解算方法。设计了以ARM为核心的嵌入式组合姿态解算平台,通过四元数法和卡尔曼滤波技术,对iNEMO惯性组件测量数据进行融合,进而在高动态环境中实时解算出机器人的运动姿态。同时,以北斗接收机输出的1PPS上升沿脉冲作为数据融合的同步信号,并利用其输出的导航信息辅助iNEMO惯性模块实现精对准。测试结果验证了设计方案的可行性和正确性,为机器人姿态解算提供了一种高精度、高稳定性、小体积、低功耗的解决方案。     

滑动摩擦力作用下弹簧振子的振动

对在粗糙水平面上作振动的弹簧振子进行研究,探讨该弹簧振子最后停止的位置,估算了弹簧振子的振动总次数,得出弹簧振子的相轨迹.     

Visualization of space charge field effect on excitons in a GaAs quantum dot by near-field optical wavefunction mapping

Near-field photoluminescence (PL) imaging spectroscopy was used to investigate multi-exciton and charged-exciton states confined in a single GaAs interface fluctuation quantum dot. We determined the origin of peaks in the PL spectra by employing a wavefunction mapping technique. We observed distortion of the exciton wavefunction due to the electric field produced by an excess electron at a nearby confined state. Near-field wavefunction mapping was demonstrated to be a powerful tool for visualizing the local environment, which affects the emission properties of quantum dots.     

Manufacturing of Volumetric Glass–Based Composites with Single‐ and Double‐QD Doping

Quantum dot (QD)‐based light‐emitting materials are gaining increased attention because of their easily tunable optical properties desired for various applications in biology, optoelectronics, and photonics. However, few methods can be used to manufacture volumetric materials doped with more than one type of QD other than QD‐polymer hybrids, and they often require complicated preparation processes and are prone to luminescence quenching by QD aggregation and separation from the matrix. Here, simultaneous doping of a volumetric glass‐based nanocomposite with two types of QDs is demonstrated for the first time in a single‐step process using the nanoparticle direct doping method. Glass rods doped with CdTe, CdSe/ZnS, or co‐doped with both QDs, are obtained. Photoluminescence and lifetime experiments confirm temperature‐dependent double emission with maxima at 596 and 720 nm with mean lifetimes up to 16 ns, as well as radiative energy transfer from the short wavelength–emitting QDs to the long wavelength–emitting QDs. This approach may enable the simple and cost‐efficient manufacturing of bulk materials that produce multicolor luminescence with cascade excitation pumping. Applications that could benefit from this include broadband optical fiber amplifiers, backlight systems in LCD screens, high‐power LEDs, or down‐converting solar concentrators used to increase the efficiency of solar panels.     

The elastic,electronic, and optical properties of PtSi and PtGe compounds

The structural, mechanical, electronic and optical properties of orthorhombic PtSi and PtGe were investigated using norm-conserving pseudopotentials within the local density approximation in the frame of density functional theory. The calculated lattice parameters and bulk modulus for PtSi and PtGe have been compared with the experimental and theoretical values. The second-order elastic constants were calculated, and the other related quantities such as the Young's modulus, shear modulus, Poisson's ratio, anisotropy factor, sound velocities and Debye temperature have also been estimated. The linear photon-energy dependent dielectric functions and some optical properties such as the energy-loss function, the effective number of valance electrons and the effective optical dielectric constant were calculated. Our structural estimation and some other results are in agreement with the available experimental and theoretical data.     

Conditional dissipation of scalars in homogeneous turbulence: Closure for MMC modelling

While the mean and unconditional variance are to be predicted well by any reasonable turbulent combustion model, these are generally not sufficient for the accurate modelling of complex phenomena such as extinction/reignition. An additional criterion has been recently introduced: accurate modelling of the dissipation timescales associated with fluctuations of scalars about their conditional mean (conditional dissipation timescales). Analysis of Direct Numerical Simulation (DNS) results for a passive scalar shows that the conditional dissipation timescale is of the order of the integral timescale and smaller than the unconditional dissipation timescale. A model is proposed: the conditional dissipation timescale is proportional to the integral timescale. This model is used in Multiple Mapping Conditioning (MMC) modelling for a passive scalar case and a reactive scalar case, comparing to DNS results for both. The results show that this model improves the accuracy of MMC predictions so as to match the DNS results more closely using a relatively-coarse spatial resolution compared to other turbulent combustion models.