用PM3量化参数预测多氯代二苯并呋喃的logKow

从现有的PCDFs分子的正辛醇 /水分配系数 (logKow)实验数据出发 ,建立定量结构 性质关系方程(QSPR) .采用G98W程序包中的PM3方法对 13 5个多氯代二苯并呋喃 (PCDFs)分子和二苯并呋喃进行了优化计算 ,作业命令为 #pPM3optfreqscf(conver =9) ,以计算所得的分子轨道能量、碳原子电荷作为PCDFs分子结构描述符 ,运用多元线性回归技术建立了PCDFs的logKow与分子结构描述符的四元方程 ,最优相关系数为 0 .95 0 7,标准偏差为 0 .173 7,经检验该模型的稳健性好 ,并对未有实验数据的 85个PCDFs的logKow进行预测     

数码相机CMOS图像传感器的特性参数与选择

介绍了数码相机的核心器件———CMOS图像传感器的特性参数和在数码相机设计过程中CMOS图像传感器的选择。选择CMOS图像传感器,不仅需要考虑包括传感器的尺寸、像素总数和有效像素数、最小照度、动态范围、灵敏度、分辨力、光电响应不均匀性以及光谱响应等在内的特性参数,而且还要考虑电源管理和功耗、模数转换位数、开发的简便性以及成本等因素。     

TATB钝感炸药的小角X射线散射实验

在北京同步辐射装置上应用同步辐射X射线小角散射技术研究TATB样品微孔状况，分析了微孔结构参数的变化。采用不同制备工艺(机械研磨、化学合成、气流细化、全结晶、粉碎)和不同存放时间的TATB粉末样品共计7份。     

应用自动微分的Newton-PCG算法

一类新的使用符号微分的Newton-PCG型算法在文献[1]和[2]被导出来了。本文建立和研究应用自动微分的相应的Newton-PCG算法，理论分析和数值实验结果显示应用自动微分之后，目标函数的维数或复杂性越大，Newton-PCG算法对Newton法的改进越显著。     

Radiative Lifetimes of Doubly Ionized Terbium

Radiative lifetimes of two short-lived levels （i.e. 4f^8 （TF6）6p^1/2 （6, 1/2）11/2,13/2） in Tb Ⅲ are measured by time-resolved laser-induced fluorescence （LIE） technique with a two-step excitation process. Free Tb Ⅲ ions are produced in a laser-induced plasma. Lifetime values are evaluated with a deconvolution procedure of the timeresolved fluorescence signal with the temporal shape of second-step excitation pulse （about 1 ns）. The lifetimes of the 4f^8 （^7F6）6p^1/2 （6, 1/2）11/2 and 4f^8（^7F6）6p^1/2 （6, 1/2）13/2 levels are determined to be 1.9 （2） and 2.0 （2）ns, respectively.     

在几何和参数上表示同一条曲线的两条有理NURBS曲线的权与控制顶点之间的关系

The paper discusses the relationship between weights and control vertices of two rational NURBS curves of degree two or three with all weights larger than zero when they represent the same curve parametrically and geometrically, and gives sufficient and necessary conditions for coincidence of two rational NURBS curves in non-degeneracy case.     

A Continuation Method of Parameter Inversion for Non-Equilibrium Convection-Dispersion Equation

Based on the homotopy mapping, a globally convergent method of parameter inversion for non-equilibrium convection-dispersion equations （CDEs） is developed. Moreover, in order to further improve the computational efficiency of the algorithm, a properly smooth function, which is derived from the sigmoid function, is employed to update the homotopy parameter during iteration. Numerical results show the feature of global convergence and high performance of this method. In addition, even the measurement quantities are heavily contaminated by noises, and a good solution can be found.     

High-Average-Power Nanosecond Quasi-Phase-Matched Single-Pass Optical Parametric Generator in Periodically Poled Lithium Niobate

A pulsed nanosecond optical parametric generator (OPG) in periodically poled lithium niobate (PPLN) crysal is presented. The pump laser is an acousto-optically Q-switched Nd:YVO4 laser with the maximum average power of 6.58 W. When the repetition rate is 50kHz and the pulse width of the pump source is 80ns, the maximum average total output power of the single-pass PPLN OPG is about 1.9 W, which includes 1.322 W of 1.536μm signal radiation. The length of the PPLN crystal is only 38.7mm (at room temperature) with a grating period of 28.93μm (at room temperature). The 1.502-1.536μm signal radiation and 3.652-3.465μm idler radiation are obtained by adjusting the PPLN crystal temperature from 155℃ to 250℃.     

F／Cl比与Eu~（2＋）：BaFCl中F色心的浓度和光激励截面的关系

研究了Ｅｕ（２＋）：ＢａＦｘＣｌ２在紫外线辐照下的光激励发光。通过改变激励方式及激励光的扫描方向，给出了Ｅｕ（２＋）：ＢａＦｘＣｌ２－ｘ光激励发光过程中，两种Ｆ色心的浓度比值与光激励截面比值的测定方法。利用这种测定方法，进一步研究了两种Ｆ色心的浓度比值和光激励截面比值与Ｆ／ＣＩ比值的关系。