Revealing and comparing different excited-state intramolecular proton transfer processes for 3-(4-dimethylamino-phenyl)-1-(4-fluoro-2-hydroxy-phenyl)-propenone and 3-(4-dimethylamino-phenyl)-1-(4-fluoro-2-hydroxy-phenyl)-3-hydroxy-propenon

Two novel 2′-hydroxychalcone derivatives (i.e., M1 and M2) are explored in this work. We mainly focus on investigating the effects of photoexcitation on hydrogen bonds and on the excited-state intramolecular proton transfer (ESIPT) process. On the basis of calculations of electrostatic potential surface and intramolecular interactions, we verify the formation of hydrogen bond O1 H2···O3 in both S₀ and S₁ states. Exploring the ultraviolet–visible spectra in the liquid phase, our simulated results reappear in the experimental phenomenon. Analyzing molecular geometry and infrared stretching vibrational spectra, we confirm O1 H2···O3 is strengthened for both M1 and M2 in the S₁ state. We further confirm that charge redistribution facilitates ESIPT tendency. Constructing potential energy curves, we find the ultrafast ESIPT behavior for M1, which is because of the deficiency of side hydroxyl moiety comparing with M2. This work makes a reasonable affiliation of the ESIPT mechanism for M1 and M2. We wish this paper could facilitate understanding these two novel systems and promote their applications.     

不等式约束条件下回归模型的参数估计及检验

本文研究了具有不等式约束条件的回归模型的参数估计，给出了检验的统计量和一个实例．     

非晶态合金薄带与膜的巨磁电阻抗效应理论及计算

通过建立具有平面近横向各向异性场的非晶态合金薄带及膜的磁畴结构模型，利用线性化Maxwell方程组及Landau-Lifshitz方程，推出了在高频交变磁场及外加面内轴向直流磁场H_ex作用下的铁磁材料的与取向相关的磁导率表达式，得到了对方位角平均的相对磁导率及阻抗的计算式，导出了磁导率与张量磁化率分量间的关系，对材料磁导率的实部及虚部随H_ex的变化进行了计算，并给出了对应的磁谱图.建立的磁导率与外磁场的理论关系可将Panina及Kraus给出的理论结果统一起来. 关键词： 非晶态合金薄带及膜 取向相关磁导率 GMI效应理论与计算 近横向各向异性场     

Second-order random wave solutions for interfacial internal waves in N-layer density-stratified fluid

This paper studies the random internal wave equations describing the density interface displacements and the velocity potentials of N-layer stratified fluid contained between two rigid walls at the top and bottom. The density interface displacements and the velocity potentials were solved to the second-order by an expansion approach used by Longuet-Higgins （1963） and Dean （1979） in the study of random surface waves and by Song （2004） in the study of second- order random wave solutions for internal waves in a two-layer fluid. The obtained results indicate that the first-order solutions are a linear superposition of many wave components with different amplitudes, wave numbers and frequencies, and that the amplitudes of first-order wave components with the same wave numbers and frequencies between the adjacent density interfaces are modulated by each other. They also show that the second-order solutions consist of two parts： the first one is the first-order solutions, and the second one is the solutions of the second-order asymptotic equations, which describe the second-order nonlinear modification and the second-order wave-wave interactions not only among the wave components on same density interfaces but also among the wave components between the adjacent density interfaces. Both the first-order and second-order solutions depend on the density and depth of each layer. It is also deduced that the results of the present work include those derived by Song （2004） for second-order random wave solutions for internal waves in a two-layer fluid as a particular case.     

CsNiCl3晶体的光谱精细结构、零场分裂参量及Jahn-Teller效应

应用不可约张量理论构造了三角对称晶场中3d²/3d⁸态离子的45阶可完全对角化的微扰哈密顿矩阵，研究了CsNiCl₃晶体的光谱精细结构、晶体结构、零场分裂参量、Jahn-Telller效应以及自旋单重态对Ni²⁺离子基态能级的影响，理论与实验相符合.在此基础上，进一步研究了以前工作中被忽略的自旋-自旋耦合作用和Trees修正对CsNiCl₃晶体的光谱精细结构和零场分裂参量的影响，发现有四种机理会影响零场分裂参量：1)自旋-轨道耦合机理，2)自旋-自旋耦合机理；3)自旋-轨道与自旋-自旋联合耦合机理；4)自旋-轨道与Trees修正联合耦合机理，其中自旋-轨道耦合机理是最主要的，其他三种机理也是不可忽略的. 关键词： 基态能级 精细结构 零场分裂 自旋-自旋耦合     

简谐速度噪声及其与势场之间的频率共振

为了描述复杂的噪声环境，考虑了一种具有频率结构的噪声——简谐速度噪声，包括它的产生、关联函数、功率谱以及作为热噪声时的频率特性所导致的一些行为.结果表明：在频谱空间中简谐速度噪声是一种带通噪声，存在一个峰值频率，且噪声带宽由参量Γ控制.当简谐势中的一个布朗粒子受热简谐速度噪声驱动时，粒子能量极大值出现在两种频率相等的情况下.这表明噪声和势场的频率之间存在动力学共振，决定着粒子能量的大小. 关键词： 简谐噪声 简谐速度噪声 功率谱 频率共振     

掺入Ni元素的LiCoO2晶体光谱结构及电子顺磁共振g因子

在弱场图像下,利用Racah不可约张量算符方法得到了三角对称3d4/3d6电子组态的210阶可完全对角化的微扰哈密顿矩阵、最近邻点电荷模型晶体结构常量公式和电子顺磁共振g因子公式.研究了LiCoO2晶体和掺入Ni的LiCoO2:Ni晶体中Co3+的基态能级、晶体结构和电子顺磁共振g因子.考虑了LiCoO2晶体和LiCoO2:Ni晶体中自旋单重态和三重态对Co3+基态能级的影响,讨论了LiCoO2晶体和在LiCoO2晶体中掺杂Ni后Co3+局域结构常量大小的变化是引起Co3+的基态能级变化的主要原因,理论和实验都证实了这一点.还计算了掺杂前后的电子顺磁共振g因子,计算结果与实验值符合得较好.     

安装偏差对光纤布喇格光栅应变测量的影响

通过理论推导和试验分析研究了安装偏差对光纤应变测量的影响，得到安装误差所带来测量误差的计算公式.发现光纤的轴向与预定安装方向的角偏差越大，测量误差也越大.用光纤光栅进行应变测量时，必须考虑光纤的安装偏差，它直接关系到测量结果的准确性.实际测量中要尽量确保传感器安装方位的准确.     

Using multi-exposure of color fringes to measure the beating motion of a moth

A multi-exposure of color fringes method has been developed to improve the capture speed of a conventional color CCD camera. In the method, four groups of projected fringe patterns encoded with different colors and different directions are stored in one CCD frame. Therefore the capture frequency of the conventional CCD can be improved to 200 Hz. It is available to measure the insect wings with low beating frequency, such as dragonfly, moth, or butterfly, whose beating frequency is about 30–40 Hz. We have used the method to measure the beating motion of a moth successfully.     

Energy loss effect in high energy nuclear Drell-Yan process

The energy loss effect in nuclear matter, which is a nuclear effect apart from the nuclear effect on the parton distribution as in deep-inelastic scattering process, can be measured best by the nuclear dependence of the high energy nuclear Drell-Yan process. By means of the nuclear parton distribution studied only with lepton deep-inelastic scattering experimental data, the measured Drell-Yan production cross sections for 800 GeV proton incident on a variety of nuclear targets are analyzed within the Glauber framework which takes into account the energy loss of the beam proton. It is shown that the theoretical results with considering the energy loss effect are in good agreement with the FNAL E866 data.Arrival of the final proofs: 24 June 2003