Quantum chemical studies of Li cation binding to polyalkyloxides

A quantum chemical study of the binding of Li⁺ cation to polyalkyloxides has been carried out. The lithium cation interaction with three polyalkyloxides (polyethylene oxide (PEO), polytrimethylene oxide (PTMO), and polypropylene oxide (PPO)) has been investigated using ab initio molecular orbital theory at the HF/6-31G^* level with molecular models for the polymers. Coordination by one to six oxygens was considered. In addition, higher level calculations were carried out using G3(MP2) theory for coordination of Li⁺ by one oxygen. For coordination of lithium by one oxygen, the binding energy ordering is PTMO>PPO>PEO, with PTMO having the largest lithium cation affinity. The same ordering is found for larger coordination numbers with the exception of coordination by six oxygens, where the ordering changes due to the steric interactions.     

网络展开图与符号网络分析

采用封闭网络模型,按照电路元件参数,采用开路、短路和着色运算,将电路图逐层分解,得到网络展开图.给出网络展开图的概念和运算规则,指出网络展开图中从根到末稍每个路径的值就是网络行列式展开式中的一个有效项,从而由网络展开图得到符号网络函数.该方法直接对电路图进行运算,不需要建立任何形式的电路方程和行列式,适用于一般的有源电路,而且能生成各种类型的网络函数.     

PTC热敏电阻的现状与发展趋势(续一)

基于对1995年以来,国内外PTC热敏电阻的研究,介绍了PTC热敏电阻用原料(BaCO3、TiO2、BaTiO3、SrCO3、PbO、Pb3O4、SrTiO3、PbTiO3、Y2O3、Nb2O5、CaCO3、SiO2等);材料(BaTiO3系、V2O3系及高分子);生产技术(瓷粉制造、烧成、芯片制造、质量评定、理化分析、片式PTC生产);重点产品(消磁、马达启动、限流及加热等用)以及基础研究(相变应力模型、表面势垒模型)等方面的现状及今后的发展趋势。     

土的最大干密度和最优含水率快速测定法

对快速击实试验研究成果进行了总结,并介绍了应用快速击实试验研究成果的经验.不论是重型击实还是轻型击实,也不论击实试验所给定的击实功能多大,应用"一点法"或"快速法"击实试验原理,对土料都有一定要求."一点法"击实试验与快速击实试验所用土体的比重在2.67～2.73之间,当被测土样的比重超越此范围时,在绘制击实曲线时可适当偏离ρdmax计算值的点,但这个误差是很小的,通常ρdmax的影响在±0.01 g/cm3以内,而对ωop的影响在±0.5%以内.结合工程实例,对击实试验成果的简化校正作了详细介绍.     

Extrapolation of fuzzy values from incomplete data bases

This paper presents different approaches which enable a data base management system to obtain a plausible fuzzy estimate for an attribute value of an item for which the information is not explicitly stored in the data base. This can be made either by a kind of analogical reasoning from information about particular items or by means of expert rules which specify the (fuzzy) sets of possible values of the attribute under consideration, for various classes of items. Another kind of expert rules enables the system to compute an estimate from the attribute value of another item provided that, in other respects, this latter item sufficiently resembles the item, the value of which we are interested in; then these expert rules are used either for controlling the analogical reasoning process or for enlarging the scope of application of the first kind of expert rules. The different approaches are discussed in the framework of possibility theory.     

Chaos Synchronization between the Coupled Modified Chua's Circuits with Nonlinear Quadratic Function x|x|

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Contextualizing is not nullifying: Reply to Mills (2005).

In omitting crucial words and sentencees, neglecting relevant citations, and overlooking important distinctions, Jon Mills' (see record 2005-04819-001) critique of relational psychoanalysis significantly misrepresents the authors' viewpoint. This viewpoint seeks to contextualize, but not to nullify, individual worlds of experience and their limiting horizons. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Knowledge representation for mathematical discovery: Three experiments in graph theory

This paper describes the nature of mathematical discovery (including concept definition and exploration, example generation, and theorem conjecture and proof), and considers how such an intelligent process can be simulated by a machine. Although the material is drawn primarily from graph theory, the results are immediately relevant to research in mathematical discovery and learning.The thought experiment, a protocol paradigm for the empirical study of mathematical discovery, highlights behavioral objectives for machine simulation. This thought experiment provides an insightful account of the discovery process, motivates a framework for describing mathematical knowledge in terms of object classes, and is a rich source of advice on the design of a system to perform discovery in graph theory. The evaluation criteria for a discovery system, it is argued, must include both a set of behavior to display (behavioral objectives) and a target set of facts to be discovered (factual knowledge).Cues from the thought experiment are used to formulate two hierarchies of representational languages for graphy theory. The first hierarchy is based on the superficial terminology and knowledge of the thought experiment. Generated by formal grammars with set-theoretic semantics, this eminently reasonable approach ultimately fails to meet the factual knowledge criteria. The second hierarchy uses declarative expressions, each of which has a semantic interpretation as a stylized, recursive algorithm that defines a class by generating it correctly and completely. A simple version of one such representation is validated by a successful, implemented system called Graph Theorist (GT) for mathematical research in graph theory. GT generates correct examples, defines and explores new graph theory properties, and conjectures and proves theorems.Several themes run through this paper. The first is the dual goals, behavioral objectives and factural knowledge to be discovered, and the multiplicity of their demands on a discovery system. The second theme is the central role of object classes to knowledge representation. The third is the increased power and flexibility of a constructive (generator) definition over the more traditional predicate (tester) definition. The final theme is the importance of examples and recursion in mathematical knowledge. The results provide important guidance for further research in the simulation of mathematical discovery.     

Corner flow in free liquid films

A lubrication-flow model for a free film in a corner is presented. The model, written in the hyperbolic coordinate system ξ = x ² −y ², η = 2xy, applies to films that are thin in the η-direction. The lubrication approximation yields two coupled evolution equations for the film thickness and the velocity field which, to lowest order, describes plug flow in the hyperbolic coordinates. A free film in a corner evolving under surface tension and gravity is investigated. The rate of thinning of a free film is compared to that of a film evolving over a solid substrate. Viscous shear and normal stresses are both captured in the model and are computed for the entire flow domain. It is shown that normal stress dominates over shear stress in the far field, while shear stress dominates close to the corner. This revised version was published online in October 2005 with corrected page numbers.     

缺省理论的简化

缺省理论△=(D,W)中的缺省规则集D,是该理论的不确定因素.如果能去掉一些缺省规则而又不影响该理论的延伸,则就在一定程度上简化了该理论.本文证明了关于规范缺省理论的延伸的若干性质,利用这些性质,我们可以把某些规范缺省理论在一定条件下得以化简,有的甚至可以把它们化为一阶逻辑理论.