A subdomain boundary element method for high‐Reynolds laminar flow using stream function‐vorticity formulation

The paper presents a new formulation of the integral boundary element method (BEM) using subdomain technique. A continuous approximation of the function and the function derivative in the direction normal to the boundary element (further ‘normal flux’) is introduced for solving the general form of a parabolic diffusion‐convective equation. Double nodes for normal flux approximation are used. The gradient continuity is required at the interior subdomain corners where compatibility and equilibrium interface conditions are prescribed. The obtained system matrix with more equations than unknowns is solved using the fast iterative linear least squares based solver. The robustness and stability of the developed formulation is shown on the cases of a backward‐facing step flow and a square‐driven cavity flow up to the Reynolds number value 50 000. Copyright © 2004 John Wiley & Sons, Ltd.     

Heterochain model for simultaneous long‐chain branching and crosslinking. III. Multicomponent polymerization

The matrix formula developed in the context of heterochain theory, M?_w = M?_wp + WF ( I ? M )^?1 S , was applied to describe the molecular weight development during free‐radical multicomponent polymerization. All of the required probabilistic parameters are expressed in terms of the kinetic‐rate constants and the various concentrations associated with them. In free‐radical polymerization, the number of heterochain types, N, needs to be extrapolated to infinity, and such extrapolation is conducted with only three different N values. This matrix formula can be used as a benchmark test if other approximate approaches can give reasonable estimates of the weight‐average molecular weights. The moment equations with the average pseudo‐kinetic‐rate constants for branching and crosslinking reactions may provide poor estimates when the copolymer composition drift during polymerization is very significant. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 2801–2812, 2004     

氟代吡啶阳离子的理论研究

利用量子化学密度泛函理论B3LYP方法及 6 31G(d ,p)、6 311G(d ,p)、6 31+G(d ,p)和 6 311+G(d ,p)基组对五氟代吡啶、2 ,6 二氟代吡啶和 2 氟代吡啶分子的阳离子进行了计算研究 .B3LYP构型优化和频率分析计算结果表明这三种氟代吡啶阳离子的结构分别具有C2v、C2v和Cs 对称性 ,电子基态分别为2 A2 、2 A2 和2 A″ .对离子和分子的计算构型做了比较 .利用B3LYP方法和不同的基组对这三种阳离子及其分子进行了自然布居分析计算 .用B3LYP方法对这三种阳离子 (自由基 )中的超精细结构进行了计算 ,对五氟代吡啶、2 ,6 二氟代吡啶和2 氟代吡啶分子的垂直电离势和绝热电离势进行了计算 ,与实验值符合得很好     

Cr3+：MgAl2O4晶体EPR参量及其电子精细光谱的研究

考虑了SS(Spin-Spin)作用和SOO(Spin-Other-Orbit)作用，采用完全对角化方法，结合自旋Hamiltonian理论，研究了Cr³⁺∶MgAl₂O₄晶体EPR参量及其吸收光谱，理论与实验符合甚好. 在此基础上，进一步研究了⁴A₂(3d³)离子EPR参量的微观起源. 研究表明，EPR参量起源于四种微观机制：(1) SO(Spin-Orbit) 耦合机制；(2) SS耦合机制；(3)SOO耦合机制；(4) SO～SS～SOO总联合作用机制. 在这些机制中，SO机制是最主要的.     

一种新颖的用于光腔模式及光束传输模拟的特征向量法

根据有限元法单元划分的思想，提出了一种新颖的模拟光腔模式及光束传输的特征向量法. 该方法的关键之处在于基于衍射积分理论构造了一种新的光束传输矩阵，通过求解特征矩阵方程可一次性得到谐振腔的一系列特征向量，每一列特征向量即代表了腔镜上光场的一个确定模式的振幅及相位分布. 并可采用该方法模拟光场传输到腔内或腔外任意地方的场分布. 该方法将传统方法中大量的迭代过程转化成为本征积分方程特征向量的求解过程，并与初值取值无关，且可一次性求得多个模式分布，从而可方便地分析谐振腔的模式鉴别能力. 特征向量法对圆形镜共焦 关键词： 谐振腔 特征向量法 模式分布     

光纤光栅选频掺Yb3+双包层光纤激光器

利用相位掩模法 ,在D形内包层掺Yb3 双包层光纤一端直接写制出Bragg光栅 ,用作双包层光纤激光器的输出腔镜 .试验得到了线宽为 0 196nm ,波长为 10 5 8 2nm ,最高输出功率为 5 70mW的稳定激光输出 ,解决了激光器中模式竞争造成的输出不稳定现象 .从速率方程出发 ,对激光器的输出功率与抽运功率、光栅反射率的关系以及最佳光纤长度进行了理论分析 ,结果与实验符合很好     

X波段六腔渡越管振荡器的高频特性研究

 从麦克斯韦方程出发，采用时域有限差分法（FDTD）和离散傅里叶变换（DFFT）相结合的方法，通过数值计算得出了六腔开放式谐振腔中前四个谐振频率和场分布，计算出的谐振频率与实验测量结果基本相同。比较了开放腔和封闭腔谐振频率，验证了TEM波吸收边界条件，并在实际编程计算中得以应用。计算结果为六腔渡越管振荡器的机理研究提供了依据。     

BEPCⅡ LINAC束流光学匹配及轨道校正计算研究

 北京正负电子对撞机直线注入器(BEPCⅡ LINAC)的升级改进要求建立束流光学匹配计算和轨道校正系统，为此对束流光学匹配计算和轨道校正计算的方法进行了研究，并采用VC++语言编写了相应的程序，利用最小二乘法原理进行了束流光学匹配计算，模拟了束流轨道校正，取得了较为理想的结果。     

Kinetic Parameters of Ion-Exchange Membrane in Amino Acid Solutions

Kinetic parameters of amino acid cations in an MK-40 ion-exchange membrane are calculated from the conductivity data. A theoretical quantum-chemical analysis of experimental activation energies for conduction suggests a mechanism of elementary act of transport of amino acid cations in the membrane.     

Augmented Lagrangian Algorithms Based on the Spectral Projected Gradient Method for Solving Nonlinear Programming Problems

The spectral projected gradient method SPG is an algorithm for large-scale bound-constrained optimization introduced recently by Birgin, Martínez, and Raydan. It is based on the Raydan unconstrained generalization of the Barzilai-Borwein method for quadratics. The SPG algorithm turned out to be surprisingly effective for solving many large-scale minimization problems with box constraints. Therefore, it is natural to test its perfomance for solving the sub-problems that appear in nonlinear programming methods based on augmented Lagrangians. In this work, augmented Lagrangian methods which use SPG as the underlying convex-constraint solver are introduced (ALSPG) and the methods are tested in two sets of problems. First, a meaningful subset of large-scale nonlinearly constrained problems of the CUTE collection is solved and compared with the perfomance of LANCELOT. Second, a family of location problems in the minimax formulation is solved against the package FFSQP.