新型含氧亚甲基和亚胺桥键液晶化合物分子结构与光谱的密度泛函理论研究

采用密度泛函理论方法在B3LYP/6-31G*水平上对6个新型含氧亚甲基和亚胺桥键液晶化合物分子的几何结构进行优化计算,讨论了取代基H,CH3,CH3O,C2H5O,NO2,Cl对分子电荷、前线轨道能量和电子吸收光谱等性质的影响.在此基础上使用含时密度泛函理论方法计算了分子第一激发态的电子垂直跃迁能,得到最大吸收波长λmax.计算表明,取代基的引入导致最大吸收波长红移.     

40Ar+诱导无定形碳到金刚石纳米晶相变的研究

通过60 keV的⁴⁰Ar⁺辐照无定形碳靶合成了大量尺寸不同的金刚石纳米颗粒.高分辨透射电子显微镜配合能量色散X射线谱和电子衍射以及Raman谱分析的结果表明，这些嵌于具有扰动石墨结构薄膜中的纳米金刚石颗粒，其成核率很高(约为10¹³/cm²)，而且可以生长到较大的尺寸，有的甚至可以达到微米量级.对其相转变过程也进行了初步探讨. 关键词： 离子束 金刚石纳米晶 相变 透射电子显微镜     

Enhanced Raman Scattering by Quasi-phase-matched Processes in ax^（2） Photonic Crystal

An intense comb-shaped Raman spectra were obtained from a two-dimensional nonlinear x（2） photonic crystal - a hexagonally poled LiTaO3 crystal with lattice parameter 9 micros. The lowest Raman shift was down to 2 cm^-1 and the order of anti-stokes and stokes signals both achieved 11. The novel Raman spectra were mediated first by intense phonon-polariton fields, which were driven through the quasi-phase-matched coupling between the incident dual-beam both from an optical parametric oscillation laser, and further amplified greatly also by such quasi-phasematched nonlinear optical process. The dependence of the Raman spectra character on the wavelength and intensity of incident beams were studied in detail, which accordingly revealed information of the inelastic scattering and the elementary excitation in the nonlinear medium. These results on the other hand suggest technological importance for developing a novel Raman laser with the multi-wavelength output and a tunable frequency interval and for possible applications in quantum optics.     

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     

INERTIAL MANIFOLDS FOR NONAUTONOMOUS SEMILINEAR PARABOLIC PARTIAL DIFFERENTIAL EQUATIONS WITH TIME DELAYS

The present paper deals with the long-time behavior of a class of nonautonomous retarded semilinear parabolic differential equations. When the time delays are small enough and the spectral gap conditions hold, the inertial manifolds of the nonautonomous retard parabolic equations are constructed by using the Lyapunov-Perron method.     

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.     

矩孔金属光栅矢量模式理论的数值计算

根据矩孔金属光栅的矢量模式理论，计算了不同入射方向，波长及偏振态情况下衍射场的分布，研究了不同光栅结构对衍射效率，偏振态变化的影响；同时，根据实际需要，加工制作了一批不同深度的矩孔光栅样品，进行了实验测量，并将计算值与实验值进行了比较，两者基本相符。     

Characteristics of soft magnetic composite material under rotating magnetic fluxes

This paper reports the measurement of magnetic properties of the soft magnetic composite material SOMALOY^TM 500 in a square sample under different patterns of flux density with 2D magnetic excitations. The test system, principle of measurement, magnetic power loss calculation, and methods of correction for misalignment of H surface sensing coils are presented. The experimental results show that although nominally isotropic, the SOMALOY^TM 500 sample exhibits some anisotropy. The results are useful in the design and performance analysis of rotating electrical machines.     

Validation of an optimization procedure to improve low frequency characteristics of rooms

A set of experiments was carried out to validate an optimization procedure based on finite element method (FEM). The idea of the procedure, fully presented in previous edition of this journal [Zhu X, Zhu Z, Cheng J. Using optimized surface modifications to improve low frequency response in a room. Appl Acoust 2004;65:841-60], is to produce an optimal geometry modification on the wall for improving low frequency sound uniformity in small rooms. Four experimental models were set up with a scale of 1:5. One was modified according to the optimized result and the others were treated with no optimization consideration. Measured frequency responses of four rooms were compared with numerical results calculated by FEM models. The transient responses in these rooms were also measured and analyzed. The agreements between calculation and measurement are satisfactory though the discrepancies due to the uncertainty of acoustic behavior of the room boundaries remain. The optimization procedure has been supported by the results that the optimized room produces the flattest frequency response and also the most smooth energy decay within the frequency range studied. The reductions of response fluctuation have reached 4.3 dB for prediction and 2.6 dB for measurement, respectively.