烷基硫酸盐表面张力的量子化学研究

用AMl量子化学计算法优化了十三烷基硫酸根阴离子和——CH3在不同取代位的十二烷基硫酸根阴离子的几何构型，得到最优构型时最高占据分子轨道能级EHOMO、最低空轨道能级ELUMO、电子能量Eele和偶极矩μ等数据．将这些电子结构数据分别与表面张力相拟合，得到很好的相关性。文中讨论了——CH3在不同位置取代对表面张力的影响。     

解奇异非光滑方程组的牛顿法和不精确牛顿法

本文主要解决奇异非光滑方程组的解法。应用一种新的次微分的外逆，我们提出了牛顿法和不精确牛顿法，它们的收敛性同时也得到了证明。这种方法能更容易在一引起实际应用中实现。这种方法可以看作是已存在的解非光滑方程组的方法的延伸。     

Chemical bonding in isolated molecules and crystals of zwitterionic pentacoordinate silicon chelates

The electronic structures of a number of zwitterionic pentacoordinate silicon chelates were investigated using the results of X-ray diffraction studies and quantum-chemical calculatoins by the MPW1PW91/6-311G(d) method. The topological analysis of the electron density distribution function and the study in the framework of the natural bond orbital partitioning scheme showed that the character of chemical bonding in the axial fragments of the molecules under consideration changes from dative to three-center, four-electron as the silicon atom assumes a trigonal-bipyramidal coordination.     

Modified Three-Dimensional Formulations of Bending Problems of Homogeneous Plates and Beams under Complex Fixing Conditions

Modified three-dimensional formulations of bending problems of homogeneous elastic plates and beams are considered. Modification of the known three-dimensional formulations reduces to using additional constraints imposed on displacement functions. An advantage of the formulations proposed is that complex fixing conditions of plates and beams can be taken into account.     

Skew-Hermitian Triangular Splitting Iteration Methods for Non-Hermitian Positive Definite Linear Systems of Strong Skew-Hermitian Parts

By further generalizing the skew-symmetric triangular splitting iteration method studied by Krukier, Chikina and Belokon (Applied Numerical Mathematics, 41 (2002), pp. 89–105), in this paper, we present a new iteration scheme, called the modified skew-Hermitian triangular splitting iteration method, for solving the strongly non-Hermitian systems of linear equations with positive definite coefficient matrices. We discuss the convergence property and the optimal parameters of this new method in depth. Moreover, when it is applied to precondition the Krylov subspace methods like GMRES, the preconditioning property of the modified skew-Hermitian triangular splitting iteration is analyzed in detail. Numerical results show that, as both solver and preconditioner, the modified skew-Hermitian triangular splitting iteration method is very effective for solving large sparse positive definite systems of linear equations of strong skew-Hermitian parts.     

基于自适应预测滤波理论的模数转换器设计方法

基于自适应差分量化理论，提出了在不增加转换位数的情况下提高模数转换器(ADC)动态范围的一种设计方法。该方法通过量化输入与预测的差值来获得预测增益，从而扩大ADC的动态范围；通过差分量化值与预测值相加得到输出信号，并将该分别采用LMS和RLS算法进行处理．得到输入信号的预测值．计算机模拟结果证实，上述两种算法均能使模数转换器的动态范围提高约25dB．比较而言，RLS算法收敛速度更快，收敛性更好，但计算量较大．     

The semi‐iterative method applied to the hyper‐power iteration

The semi‐iterative method (SIM) is applied to the hyper‐power (HP) iteration, and necessary and sufficient conditions are given for the convergence of the semi‐iterative–hyper‐power (SIM–HP) iteration. The root convergence rate is computed for both the HP and SIM–HP methods, and the quotient convergence rate is given for the HP iteration. Copyright © 2005 John Wiley & Sons, Ltd.     

Propriétés statistiques des entiers friables

Let Ψ(x,y) (resp. Ψ_m(x,y)) denote the number of integers not exceeding x that are y-friable, i.e. have no prime factor exceeding y (resp. and are coprime to m). Evaluating the ratio Ψ_m(x/d,y)/Ψ(x,y) for 1≤slantd≤slantx, m≥slant 1, x≥slant y≥slant 2, turns out to be a crucial step for estimating arithmetic sums over friable integers. Here, it is crucial to obtain formulae with a very wide range of validity. In this paper, several uniform estimates are provided for the aforementioned ratio, which supersede all previously known results. Applications are given to averages of various arithmetic functions over friable integers which in turn improve corresponding results from the literature. The technique employed rests mainly on the saddle-point method, which is an efficient and specific tool for the required design.2000 Mathematics Subject Classification: Primary—11N25; Secondary—11K65, 11N37     

Invariants of Characteristics of Some Systems of Partial Differential Equations

We introduce the notion of an invariant of characteristics for a system of first-order partial differential equations. We prove that the existence of invariants is connected with passiveness of some systems. We describe a few methods for construction of new invariants from those already known. We give a scheme for application of the invariants to reduction and integration of systems of partial differential equations. As an application we consider the equation of gas dynamics.     

Analysis of a 2D “liquid”plasma lattice

Adustyplasmacanbedefinedasacomplicatedplasmacontainingsmallsolidmattercalleddustgrainsordustparticles,whichareusuallychargednegatively,duetoelectronshighermobilitythanion,bycollectingelectronsandionsfromthebackgroundplasma.Theuniverseisfilledwithdustyplasmassuchasplanetaryrings,comettails,andnebulae.Also,inindustrialplasmaprocessing,particulatessuspendedinplasmaarethemajorcontaminationinsemiconductormanufacture.Studiesondustyplasmahavebeenextendedtofar-flungtopicssuchaswaves,instabilities,stro…