对称正则长波方程的一个守恒差分格式

本文考虑了具有齐次边界条件的对称正则长波方程的有限差分法．构造了一个两层守恒的有限差分格式,利用离散泛函分析方法分析了格式的收敛性和稳定性,从理论上得到了收敛阶为O(h~2 τ)．数值试验表明,我们的方法是可信的．     

Three-dimensional steady supersonic duct flow using Lagrangian formulation

In this paper, numerical simulation of three-dimensional supersonic flow in a duct is presented. The flow field in the duct is complex and can find its applications in the inlet of air-breathing engines. A unique streamwise marching Lagrangian method is employed for solving the steady Euler equations. The method was first initiated by Loh and Hui (1990) for 2-D steady supersonic flow computations and then extended to 3-D computation by the present authors Loh and Liou (1992). The new scheme is shown to be capable of accurately resolving complicated shock or contact discontinuities and their interactions. In all the computations, a free stream of Mach numberM=4 is considered.This article was processed using Springer-Verlag T_EX Shock Waves macro package 1.0 and the AMS fonts, developed by the American Mathematical Society.     

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     

Gradient- and Sensitivity-Enhanced TOCSY Experiments

A pulsed field gradient version of the sensitivity-enhanced 2D TOCSY experiment is proposed which yields high-quality spectra with improved sensitivity and a minimum of two scans pert₁increment. For rapid acquisition of 1D TOCSY spectra, the 1D DPFGSE–TOCSY experiment was modified to include phase-encoded multiple-selective excitation followed by a simple spectral editing. Combination of these two building blocks is used in a sensitivity-enhanced 2D analog of the 3D TOCSY–TOCSY experiment which provides an efficient tool for resolving severely overlapped signals of oligomers in short experimental time.     

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     

Entropic criterion for model selection

Model or variable selection is usually achieved through ranking models according to the increasing order of preference. One of methods is applying Kullback–Leibler distance or relative entropy as a selection criterion. Yet that will raise two questions, why use this criterion and are there any other criteria. Besides, conventional approaches require a reference prior, which is usually difficult to get. Following the logic of inductive inference proposed by Caticha [Relative entropy and inductive inference, in: G. Erickson, Y. Zhai (Eds.), Bayesian Inference and Maximum Entropy Methods in Science and Engineering, AIP Conference Proceedings, vol. 707, 2004 (available from arXiv.org/abs/physics/0311093)], we show relative entropy to be a unique criterion, which requires no prior information and can be applied to different fields. We examine this criterion by considering a physical problem, simple fluids, and results are promising.     

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.     

几种改进的CoMFA方法比较研究血小板活化因子拮抗剂

由于传统的比较分子场分析(CoMFA)方法本身存在一些缺陷，使得分子的叠合 规则以及叠合分子的空间取向和空间位置等因素对q~2的影响很大，因此相继提出 了几种改进的CoMFA方法。为了优化CoMFA结果，应用传统的CoMFA方法和交叉验证 的R~2引导的区域选择法(q~2-GRS)、全取向搜索法（AOS）、全空间搜索法（APS） 以及比较分子相似性指数(CoMSIA)等四种改进的CoMFA方法，对18个pinusolide类 衍生物这类新发现的血小板活化因子（PAF）拮抗剂进行了比较研究。结果表明四 种改进的CoMFA方法得到的q~2值均比传统CoMFA的高。q~2-GRS方法得到的q~2值有 所提高，但综合结果并不理想，AOS与APS得到的q~2较为理想，而在CoMSIA中， q~2几乎不受空间取向或空间位置的影响。同时我们引人基于样本的偏最小二乘法 （SAMPLS）取代原AOS／APS程序中的传统PLS进行统计分析，明显提高了其运行速 度。最后，根据q~2最高的CoMFA模型和CoMSIA模型设计了几个预测活性更高的 pinusolide类似物。