一类求解奇异延迟微分方程的两步连续Runge-Kutta方法的收敛性

本文给出了一类求解延迟落在当前积分步内延迟微分方程的两步连续Runge-Kutta方法。在一定条件下我们证明了方法收敛性,数值试验表明方法是有效的。     

两种群竞争模型的奇摄动群

本文应用多重尺度法构造出非线性微分方程组的解的渐近展开式。并用微分不等式的技巧，证明原问题的解的存在性，且给出解的一致有效渐近估计．     

An evolutionary method for optimization of plate buckling resistance

Optimization of plate buckling resistance is very complicated, because the in-plane stress resultants in the prebuckled state of a plate are functions of thickness distribution. This paper discusses the problem of finding the optimum thickness distribution of isotropic plate structures, with a given volume and layout, that would maximise the buckling load. A simple numerical method using the finite-element analysis is presented to obtain the optimum thickness distribution. Optimum designs of compression-loaded rectangular plates with different boundary conditions and plate aspect ratios are obtained by using the proposed method. Optimum designs from earlier studies and the methods of buckling analysis used to attain these results are discussed and compared with the designs from the proposed method. This paper also examines the reliability of the optimality criterion generally used for plate buckling optimization, which is based on the uniform strain energy density.     

An analysis of reduced Hessian methods for constrained optimization

We study the convergence properties of reduced Hessian successive quadratic programming for equality constrained optimization. The method uses a backtracking line search, and updates an approximation to the reduced Hessian of the Lagrangian by means of the BFGS formula. Two merit functions are considered for the line search: the ₁ function and the Fletcher exact penalty function. We give conditions under which local and superlinear convergence is obtained, and also prove a global convergence result. The analysis allows the initial reduced Hessian approximation to be any positive definite matrix, and does not assume that the iterates converge, or that the matrices are bounded. The effects of a second order correction step, a watchdog procedure and of the choice of null space basis are considered. This work can be seen as an extension to reduced Hessian methods of the well known results of Powell (1976) for unconstrained optimization.This author was supported, in part, by National Science Foundation grant CCR-8702403, Air Force Office of Scientific Research grant AFOSR-85-0251, and Army Research Office contract DAAL03-88-K-0086.This author was supported by the Applied Mathematical Sciences subprogram of the Office of Energy Research, U.S. Department of Energy, under contracts W-31-109-Eng-38 and DE FG02-87ER25047, and by National Science Foundation Grant No. DCR-86-02071.     

A trajectory-following method for unconstrained optimization

A trajectory-following method with interesting properties is considered for solving unconstrained nonlinear programming problems. The trajectory is defined by a special system of ordinary differential equations. This system uses only the gradient of the objective function. Numerical examples are given.The work of the second author was supported by the DFG Schwerpunkt Anwendungs-bezogene Optimierung and Steuerung.     

On consistency of bounding operations in deterministic global optimization

This technical comment refers to the discussion of strong consistency of several bounding procedures in Lemma 2.1 and Proposition 2.1 of Ref. 1. A necessary clarification is given of the notion of convergence _q in Lemma 2.1, and a derivation of Proposition 2.1 is presented that includes a new and simple consistency proof of the classical bounding by convex envelopes used in many branch-and-bound procedures.     

Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: effect of Coulomb correlation

Atomic populations and localization [lambda(A)] and delocalization [delta(A,B)] indices (LIs and DIs) are calculated for a large set of molecules at the Hartree-Fock (HF), MP2, MP4(SDQ), CISD, and QCISD levels with the 6-311++G(2d,2p) basis set. The HF method and the conventional correlation methods [MP2, MP4(SDQ), CISD, and QCISD] yield distinct sets of LIs and DIs. Yet, within the four conventional correlation methods the differences in atomic populations and LIs and DIs are small. Relative to HF, the conventional correlation methods [MP2, MP4(SDQ), CISD, QCISD] yield virtually the same LIs and DIs for molecules with large charge separations while LIs and DIs that differ significantly from the HF values--the LIs are increased and DIs decreased--are obtained for bonds with no or small charge separations. Such is the case in the archetypal homopolar molecules HC(triple bond)CH, H2C=CH2, CH3-CH3, and "protonated cyclopropane" C(3)H(7) (+), in which case the bonding may be atypical. Relative to HF, the typical effect of the conventional correlation methods is to decrease the DI between atoms.     

甾醇资源的利用和皮质激素侧链的合成方法

本文讨论了开发甾醇资源作为甾体药物合成原料的前景,并综述了近几年由17-酮基甾体合成皮质激素侧链的各种方法。     

Homolytic Cyclizations of N-Chloroalkenylamines

Many N-chloroalkylamines with double bond(s) dissociate homolytically to give chlorine atoms and aminyl radicals which undergo intramolecular cyclization reactions. Here, the nature of the aminyl radicals (neutral, protonated, or complexed to metal salts) appears to be important. The reactivity varies strongly from one species to another, and their selectivities can be different towards addition, substitution, abstraction, or dimerization reactions. A good synthetic tool appears to be the “complexed radical”, which is generated under mild conditions. A variety of β-functionalized, substituted, fused, or bridged azaheterocycles with alkaloid part structures thus become easily accessible in high yields, in a regio- and, possibly, stereoselective manner. Many examples are discussed illustrating the synthetic possibilities, limitations, and mechanistic features of this cyclization process.