Equality and inequality constrained optimization algorithms with convergent stepsizes

In this paper, we consider two algorithms for nonlinear equality and inequality constrained optimization. Both algorithms utilize stepsize strategies based on differentiable penalty functions and quadratic programming subproblems. The essential difference between the algorithms is in the stepsize strategies used. The objective function in the quadratic subproblem includes a linear term that is dependent on the penalty functions. The quadratic objective function utilizes an approximate Hessian of the Lagrangian augmented by the penalty functions. In this approximation, it is possible to ignore the second-derivative terms arising from the constraints in the penalty functions.The penalty parameter is determined using a strategy, slightly different for each algorithm, that ensures boundedness as well as a descent property. In particular, the boundedness follows as the strategy is always satisfied for finite values of the parameter.These properties are utilized to establish global convergence and the condition under which unit stepsizes are achieved. There is also a compatibility between the quadratic objective function and the stepsize strategy to ensure the consistency of the properties for unit steps and subsequent convergence rates.This research was funded by SERC and ESRC research contracts. The author is grateful to Professors Laurence Dixon and David Mayne for their comments. The numerical results in the paper were obtained using a program written by Mr. Robin Becker.     

激光对生物分子的共振激发作用

在生物分子的“谐”和“非谐”振子势模型的基础上，用量子力学讨论了激光对生物分子的共振激作用；并用之对激光的生物激活、诱变机理的“共振吸收”定性理论作一解析分析。     

Recent studies on phosphorus-bridging carbonyl derivatives: organophosphorus analogs of aldehydes and ketones

Reactions of disodium tetracarbonylferrate, Na₂Fe(CO)₄, with sterically hindered dialkylaminodichlorophosphines, R₂NPCl₂ (R₂N=diisopropylamino, dicyclohexylamino, and 2,2, 6, 6-tetramethylpiperidino) in diethyl ether lead to the air-stable phosphorus-bridging carbonyl derivatives (R₂NP)₂COFe₂(CO)₆ as the major products. The phosphorus-bridging carbonyl group in (i-Pr₂NP)₂COFe₂(CO)₆ has been found to undergo the following types of reactions: 1)Reduction, 2)Acylation, 3)Extrusion of the carbonyl group. The mechanisms of the reactions have been considered.This work was presented at the Workshop «The Modern Problems of Heteroorganic Chemistry» held on the ship «Nikolai Bauman» during the period May 8–13, 1993.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 1858–1867, November, 1993.     

Electron transfer reactions of nickel(III) and nickel(IV) complexes

This review narrates the electron transfer reactions of various nickel(III) and nickel(IV) complexes reported during the period 1981 until today. The reactions have been categorized mainly with respect to the type of nickel complexes. The reactivity of nickel(III) complexes of macrocycles, 2,2′-bipyridyl and 1,10-phenanthroline, peptides and oxime–imine, and of nickel(IV) complexes derived from oxime–imine, oxime and miscellaneous ligands with various organic and inorganic electron donors have been included. Kinetic and mechanistic features associated with such interactions have been duly analyzed. The relevance of Marcus cross-relation equations in the delineation of the electron transfer paths has also been critically discussed.     

Symmetric form of the Hudson-Parthasarathy stochastic equation

We prove that the Hudson-Parthasarathy equation corresponds, up to unitary equivalence, to the strong resolvent limit of Schrödinger Hamiltonians in Fock space and that the symmetric form of this equation corresponds to the weak limit of the Schrödinger Hamiltonians.Translated fromMatematicheskie Zametki, Vol. 60, No. 5, pp. 726–750, November, 1996.     

The practice for eight-year operation of the cobalt-60 irradiation facility at Beijing Radiation Application Research Center

The radiation facility was made by Sulzer Company in Switzerland. The designed capacity is 3.7 × 10¹⁶Bq( 1MCi) and 12.21 × 10¹⁵Bq(330kCi)of Cobalt -60 source was loaded at the first phase. Current cobalt -60 source-loading is 2.4 × 10¹⁶Bq(650kCi). The equipment assembling and installation regulating and testing were completed at the end of 1988. The facility was put into commissioning in 1989. It operates 7000–8000 hours per year. The facility has been utilized to carry out many research work and irradiate many kinds of items. Lots of economical benefits have been gained since then. Now it is becoming a radiation processing model base in China. This paper summarized the strong and weak points of the design of the facility through in eight years' practice and analysed the economical benefits.     

Degeneracy in NLP and the development of results motivated by its presence

We study notions of nondegeneracy and several levels of increasing degeneracy from the perspective of the local behavior of a local solution of a nonlinear program when problem parameters are slightly perturbed. Ideal nondegeneracy at a local minimizer is taken to mean satisfaction of second order sufficient conditions, linear independence and strict complimentary slackness. Following a brief exploration of the relationship of these conditions with the classical definition of nondegeneracy in linear programming, we recall a number of optimality and regularity conditions used to attempt to resolve degeneracy and survey results of Fiacco, McCormick, Robinson, Kojima, Gauvin and Janin, Shapiro, Kyparisis and Liu. This overview may be viewed as a structured survey of sensitivity and stability results: the focus is on progressive levels of degeneracy. We note connections of nondegeneracy with the convergence of algorithms and observe the striking parallel between the effects of nondegeneracy and degeneracy on optimality conditions, stability analysis and algorithmic convergence behavior. Although our orientation here is primarily interpretive and noncritical, we conclude that more effort is needed to unify optimality, stability and convergence theory and more results are needed in all three areas for radically degenerate problems.Research supported by National Science Foundation Grant ECS 90-00560 and Grant N00014-89-J-1537 Office of Naval Research     

龙虾叶状幼体弧菌病防治的研究

对龙虾叶状幼体弧菌病采用多项措施，多种药物防治对比试验研究，总结出用沙－活性炭过滤海水，减少水体病原菌量，用漂白粉消毒水池和用具，杜绝污染源，用土毒素药浴亲虾，避免病原菌由卵带入，选用体格健壮的中年亲虾，保证孵化出的叶状幼体有旺盛的生命力，投放光合细菌、金藻、扁藻、丰年虫幼体、文蛤肉喂叶状幼体，改善叶状幼体营养，增强叶状幼体抗病力，利用光合细菌加速培育水体中有机物分解，净化水质，恶化病原菌生存环境     

A complete active-space self-consistent-field study on cubic N8

Summary Complete Active-Space Self-Consistent-Field (CAS-SCF) calculations for cubic N₈ are presented. We studied the N₈↔4N₂ reaction inD _4h symmetry and found its energy release and activation barrier with three different atomic basis sets. The energy release for this reaction is predicted to be around 526 kcal/mol, while the energy barrier to dissociation is estimated about 159 kcal/mol. These results are in substantial agreement with previousab initio estimates. The authors of this paper have agreed to not receive the proofs for correction.     

饱和水蒸汽与水的焓与熵参数的新关联式

饱和水蒸汽与水的焓与熵参数的新关联式李斯特，马润梅，吴冷（北京化工大学机械工程系北京１０００２９）关键词统计力学，剩余函数，焓与熵１引言本文根据统计力学与热力学剩余函数原理，结合本课题组曾已建立的饱和水蒸汽与水的新简明状态方程模型，经推导出一则适合于...