On the long‐time stability of the Crank–Nicolson scheme for the 2D Navier–Stokes equations

In this article we study the stability for all positive time of the Crank–Nicolson scheme for the two‐dimensional Navier–Stokes equations. More precisely, we consider the Crank–Nicolson time discretization together with a general spatial discretization, and with the aid of the discrete Gronwall lemma and of the discrete uniform Gronwall lemma we prove that the numerical scheme is stable, provided a CFL‐type condition is satisfied. © 2007 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2007     

解初值问题y″=g(x，y)的含参数块方法

1引言对于二阶常微分方程的初值问题y″=g(x,y),y(x_0)=y_0,y′(x_0)=y_0′,x_0(?)x(?)T(1)的数值解法的研究引起人们的广泛兴趣．对于直接积分(1),自从1976年J．D．Lambert和I．A．Waston提出二阶P-稳定方法和1978年G．Dahlquist证明P-稳定常系数线性多步方法的最高相容阶不超过2的重要结论以来,截止目前,已积累了许多高于2阶的P-稳定方法．例如,修正的Numerov方法,混合法(特殊形式RK的方法),多导法,Obrechkoff方法,显式RKN方法,单隐方法和对角隐式RKN方法等(顺便指出,文献[5,16]中所说的高阶方法的相容阶均不超过4)．所有这些方法,有些相     

On error operators related to the arbitrary functions principle

The error on a real quantity Y due to the graduation of the measuring instrument may be asymptotically represented, when the graduation is regular and fines down, by a Dirichlet form on R whose square field operator does not depend on the probability law of Y as soon as this law possesses a continuous density. This feature is related to the “arbitrary functions principle” (Poincaré, Hopf). We give extensions of this property to Rd and to the Wiener space for some approximations of the Brownian motion. This gives new approximations of the Ornstein-Uhlenbeck gradient. These results apply to the discretization of some stochastic differential equations encountered in mechanics.     

一类广义的Kdv方程的显式差分解

本文考察一类具耗散的广义KdV方程组■ (gradφ(■))_x ■_(xxx)-α■_(xx) γ■ =■(x,t,■)的周期初值问题的显式差分格式．利用有界延拓法证明了该差分格式的收敛性与稳定性,并给出了算法和数值例子．     

WAVELET TRANSFORM IN FRACTAL IMAGE ENCODING

This paper presents some results of the relation between wavelet transform and fractal transform. The wavelet transform of the attractor of fractal transform posseses translational and scale invariance. So we speed the fractal image encoding by testing the invariance of the wavelet transform appropriate for image encoding. The classfication scheme of range blocks by wavelet transform is given in this paper.     

过渡金属络合物成键本质分析的常用方法

过渡金属络合物中过渡金属与配体间所形成的化学键的成键本质,可以在理论化学基础上,采用定量的方法进行分析。本文重点以铁羰基络合物为例,对常用的分析方法,如自然键轨道方法(NBO)、电荷分解分析(CDA)、分子中的原子(AIM)拓扑分析方法以及ETS和EDA能量分解方法等,在应用中的优缺点进行了分析和评述。借助于这些方法提供的电荷、能量和电子密度等配分项可以深刻认识和理解过渡金属-配体间形成的化学键的成键本质。     

Simulation of13C NMR chemical shifts for polychlorinated and polybrominated oxybenzenes with two-particle increment scheme

A two-particle system of OY-Cl and OY-Br mixed increments for predicting¹³C NMR chemical shifts of polyhalogenated polyoxybenzenes has been developed. It has been found that only theortho- and para-interactions of the OY and Hal substituents contribute significantly to the¹³C chemical shifts and that theortho-effects of the OY located between Ha1 and H and those of the OY located between two Ha1 atoms are different. Additional effects are due to solvating solvents. The increment scheme is predictive over the whole class of compounds under consideration and may be realized on personal computers.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 617–624, April, 1994.     

Hydration scheme of uracil and cytosine

The comparison of a pure electrostatic approximation and complete supermolecule SCF ab initio computations on the hydration scheme of uracil and cytosine shows that the electrostatic procedure is capable to reproduce the general aspects of the results of the supermolecule treatment provided that different distances of shortest approach be adopted for the distances between the oxygen of water and the nitrogen of NH₂ or NH groups or the oxygen of C-O groups on the one hand and the oxygen of water and pyridine-type nitrogens on the other hand.     

Modelisation of the Electric Field Linear Response of an Infinite Aggregate of All-Trans Hexatriene Chains by Electrostatic Interaction Model

A classical electrostatic polarization scheme using the additive distribution procedure has been applied to determine the longitudinal polarizability of an all-trans hexatriene molecule in an infinite stretched fiber. The parameters have been derived from ab initio CPHF/6-31G calculations and the electrostatic scheme has been validated via comparison with ab initio results on small clusters. Upon packing the polarizability of all-trans hexatriene increases by 7%. This small increase results from the balance between the enhancement of the polarizability due to collinear packing and the reduction associated with lateral packing.     

A High-Order Finite Difference Scheme for 3D Unsteady Convection Diffusion Reaction Equations北大核心CSCD

针对三维非稳态对流扩散反应方程,构造了一种高精度紧致有限差分格式,对空间的离散采用四阶紧致差分方法,对时间的离散采用Taylor级数展开和余项修正技术,所提格式在时间上的精度为二阶、在空间上的精度为四阶。利用Fourier稳定性分析法证明了该格式是无条件稳定的。最后给出数值算例验证了理论结果。