理论研究C8H80-（H2O）n（n=1～5）团簇

应用密度泛函B3LYP／6—31＋G（d，p）方法对C8H80-（H2O）n（n=1～5）团簇这种弱相互作用体系进行垒自由度能量梯度优化，得到该系列团簇的稳定蛄构．计算结果表明。在该系列二元团簇中，一方面水分子数目的多少对苯基丙酮分子的结构影响很小，另一方面由于苯基丙酮分子的存在，破坏了团簇中水分子的对称性结构，在团簇内部极力形成O—H—O这样弯曲的有方向性的氢键．对苯基丙酮-水这样结构复杂的团簇，指认光谱的难度非常大，本文只讨论了与C=O有关的振动峰和水分子的对称伸缩振动的最强峰．     

Uniform bounds under increment conditions

We apply a majorizing measure theorem of Talagrand to obtain uniform bounds for sums of random variables satisfying increment conditions of the type considered in Gál-Koksma Theorems. We give some applications.

     

Method of lines with boundary elements for 1‐D transient diffusion‐reaction problems

Time‐dependent differential equations can be solved using the concept of method of lines (MOL) together with the boundary element (BE) representation for the spatial linear part of the equation. The BE method alleviates the need for spatial discretization and casts the problem in an integral format. Hence errors associated with the numerical approximation of the spatial derivatives are totally eliminated. An element level local cubic approximation is used for the variable at each time step to facilitate the time marching and the nonlinear terms are represented in a semi‐implicit manner by a local linearization at each time step. The accuracy of the method has been illustrated on a number of test problems of engineering significance. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 2006     

On an Application of Newton's Method to Nonlinear Operators with w-Conditioned Second Derivative

We present a new approach to study the convergence of Newton's method in Banach spaces, which relax the conditions appearing in the usual studies. The approach is based on the bound required for the second derivative of the operator involved. An application to a nonlinear integral equation is presented.     

On a class of new and practical performance indexes for approximation of fold bifurcations of nonlinear power flow equations

Efficient measurement of the performance index (the distance of a loading parameter from the voltage collapse point) is one of the key problems in power system operations and planning and such an index indicates the severity of a power system with regard to voltage collapse. There exist many interesting methods and ideas to compute this index. However, some successful methods are not yet mathematically justified while other mathematically sound methods are often proposed directly based on the bifurcation theory and they require the initial stationary state to be too close to the unknown turning point to make the underlying methods practical.This paper first gives a survey of several popular methods for estimating the fold bifurcation point including the continuation methods, bifurcation methods and the test function methods (Seydel's direct solution methods, the tangent vector methods and the reduced Jacobian method) and discuss their relative advantages and problems. Test functions are usually based on scaling of the determinant of the Jacobian matrix and it is generally not clear how to determine the behaviour of such functions. As the underlying nonlinear equations are of a particular type, this allows us to do a new analysis of the determinants of the Jacobian and its submatrices in this paper. Following the analysis, we demonstrate how to construct a class of test functions with a predictable analytical behaviour so that a suitable index can be produced. Finally, examples of two test functions from this class are proposed. For several standard IEEE test systems, promising numerical results have been achieved.     

Numerical solutions of the shallow water equations with discontinuous bed topography

A simple scheme is developed for treatment of vertical bed topography in shallow water flows. The effect of the vertical step on flows is modelled with the shallow water equations including local energy loss terms. The bed elevation is denoted with z_b^‐ for the left and z_b⁺ for the right values at each grid point, hence exactly representing a discontinuity in the bed topography. The surface gradient method (SGM) is generalized to reconstruct water depths at cell interfaces involving a vertical step so that the fluxes at the cell interfaces can accurately be calculated with a Riemann solver. The scheme is verified by predicting a surge crossing a step, a tidal flow over a step and dam‐break flows on wet/dry beds. The results have shown good agreements compared with analytical solutions and available experimental data. The scheme is efficient, robust, and may be used for practical flow calculations. Copyright © 2002 John Wiley & Sons, Ltd.     

THE QUALITATIVE CONTENT OF RENEWABLE RESOURCE MODELS

This paper analyzes the extent to which standard dynamic renewable resource models possess refutable implications. Both the steady state comparative static and local comparative dynamic properties of the standard model are studied. A unified framework is developed which enables one to analyze the qualitative properties of any standard renewable resource model. This is achieved by explicitly linking the local stability, steady state comparative static, and local comparative dynamic properties of the model.     

A solution of the DGLAP equation for gluon at low x

We obtain a solution of the DGLAP equation for the gluon at low x first by expanding the gluon in a Taylor series and then using the method of characteristics. We test its validity by comparing it with that of Glück, Reya and Vogt. The convergence criteria of the approximation used are also discussed. We also calculate εF ₂(x,Q)²/ε In Q ² using its approximate relations with the gluon distribution at low x. The predictions are then compared with the HERA data.     

行波型热声发动机的分布参数法热力分析

在现有热声网络模型的基础上 ,对行波型热声发动机采用分布参数法进行了详细地分析 ,得到了较为完整的分布参数法网络模型 ,并给出了该模型的定性关系式 ,所得结果与采用集总参数法的结果有很大差异。分析表明 ,分布参数法更适合于一般的系统情况 ,集总参数法仅仅在一定条件下才适用。文中对一个实际系统应用分布参数法进行了分析 ,得到一些结论 ,对于我们设计行波型热声发动机有非常重要的理论指导意义     

A modified predictor–corrector scheme for the two-dimensional sine-Gordon equation

A three-time level finite-difference scheme based on a fourth order in time and second order in space approximation has been proposed for the numerical solution of the nonlinear two-dimensional sine-Gordon equation. The method, which is analysed for local truncation error and stability, leads to the solution of a nonlinear system. To avoid solving it, a predictor–corrector scheme using as predictor a second-order explicit scheme is proposed. The procedure of the corrector has been modified by considering as known the already evaluated corrected values instead of the predictor ones. This modified scheme has been tested on the line and circular ring soliton and the numerical experiments have proved that there is an improvement in the accuracy over the standard predictor–corrector implementation. This research was co-funded by E.U. (75%) and by the Greek Government (25%).