聚醚醚酮链结构与反应的模型化合物的量子化学研究

利用ＡＭ１方法对聚醚醚酮模型化合物全优化，结果为：芳环平均相互扭转角为３３．０度，桥键角１１７．０－１１８．０度，其分子结构拓扑图形表明：所有苯环（核）为平面构型，但其内角扭曲；其氢原子对苯环构型无实质性贡献，在更长链的计算中，冻结苯核与氢原子也得出满意结果，根据Ｍｕｌｌｉｋｅｎ键序与电荷讨论了醚交换与磺化反应。     

理想微裂纹系统中的随机扩展效应

本文讨论了在理想微裂纹系统中,由于微裂纹的随机性扩展,对微裂纹统计演化产生的效应。文中提供了一般的理论框架,给出了便于处理的转移概率的表达式。最后,用数值计算的例子展示了随机模型的统计演化特征,并比较了与确定性扩展模型下统计演化的异同。     

Pregelation Behaviour of Coagulation Processes with the Constant-Reaction-Number Kernel

We propose an irreversible binary coagulation model with a constant-reaction-number kernel, in which, among all the possible binary coagulation reactions, only p reactions are permitted to take place at every time. By means of the generalized rate equation we investigate the kinetic behaviour of the system with the reaction rate kernel K（i;j） = （ij）^w （0 ≤w〈1/2）, at which an i-mer and a j-mer coagulate together to form a large one. It is found that for such a system there always exists a gelation transition at a finte time to, which is in contrast to the ordinary binary coagulation with the same rate kernel. Moreover, the pre-gelation behaviour of the cluster size distribution near the gelation point falls in a scaling regime and the typical cluster size grows as （to - t）-1/（1-2w）. On the other hand, our model can also provide some predictions for the evolution of the cluster distribution in multicomponent complex networks.     

g-稳定性与 R~n-稳定性的等价性

一、引言近年来,相空间理论得到了深入的发展.人们找到了一些便于应用的具体的相空间如 C_g,C_h 等,其中 C_g 是研究较多的一个空间.研究表明 C_g 具有优良的性质,但 C_g 如不附加进一步条件的话,并不是 Hale-Kato 意义下的允许空间,故[1,2]的稳定性的等价性定理并不能直接应用于 C_g.鉴于 C_g 在理论和应用上的明显的重要性,本文研究了在 C_g 和 R~n 中泛函微分方程解的稳定性的等价性问题.研究表明 C_g 在这方面也具有良好的特性.作为应用,本文还研究了 Volterra 积分微分方程周期解的存在唯一性及稳定性问题,得到了新的有趣的结果.     

四阶累积量的MUSIC算法在海流测向中的应用

针对高频地波雷达系统OSMAR2000海流测向中海流元数不易估计的问题，利用四阶谱累积量MUSIC算法的空间谱结构特点，采用试探法确定信号源数并估计信号源的位置．通过对模拟海流和实测数据的处理实验表明，利用该算法可以较准确地估计出海流元的个数和方位，并且比传统MUSIC方法获得更小的角度估计方差，有效地反演了海洋表面流信息．     

O～3岁儿童微量元素检测及纠正150例观察与体会

对西安地区150例0～3岁儿童进行了六种微量元素：钙、锌、铜、铁、镁、硒的检测，发现微量元素缺乏可导致急慢性感染、免疫力低下、小儿营养不良、贫血、发育迟缓等症状。并对小儿营养不良、喂养不当进行矫正。其中铁、钙、锌同时缺乏占50％。     

Vinyl‐type polymerization of norbornene by nickel(II) bisbenzimidazole catalysts

Novel nickel(II) bisbenzimidazole complexes were prepared via a three‐step synthetic procedure consisting of aniline/diacid condensation, ligand N‐alkylation, and metal complexation. The complexes were characterized by X‐ray crystallography and found to possess a pseudotetrahedral geometry. Upon activation with methylaluminoxane, these nickel bisbenzimidazoles did not polymerize simple olefins (e.g., ethylene, propylene, and 1‐butene) but were found to carry out the rapid and efficient polymerization of norbornene. The polynorbornene products were characterized by gel permeation chromatography/light scattering, ¹³C NMR, and IR, and their Mark–Houwink and dn/dc parameters were determined. The molecular weights of the polynorbornenes were very high (weight‐average molecular weight = 587,000–797,000 g/mol). ¹³C NMR suggested that the polymerization occurred via vinyl addition (i.e., a 2,3‐linked polymer); no ring‐opened product was observed. Thermogravimetric analysis indicated that the polynorbornenes were stable up to 400 °C under nitrogen. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 2095–2106, 2003     

Superconvergence of recovered gradients of discrete time/piecewise linear Galerkin approximations for linear and nonlinear parabolic problems

Superconvergent error estimates in l₂(H¹) and l∞(H¹) norms are derived for recovered gradients of finite difference in time/piecewise linear Galerkin approximations in space for linear and quasinonlinear parabolic problems in two space dimensions. The analysis extends previous results for elliptic problems to the parabolic context, and covers problems in regions with nonsmooth boundaries under certain assumptions on the regularity of the solutions. © 1994 John Wiley & Sons, Inc.     

损伤断裂图型演化的统计描述

本文采用动力学演化与随机跃迁并存的模型,研究损伤断裂图型的演化规律。根据演化的终态,损伤演化可分为整体稳定(GS)和演化引起剧变(EIC)两种模式,后者联系于断裂现象。本文引入统计描述,并指出,即使微损伤的连接规律是确定性的,无序介质中断裂的出现亦应以概率分布函数描写。