Hamiltonian limit of the 3D Zamolodchikov model

A two-dimensional quantum Hamiltonian _N,M commuting with the layer-to-layer transfer matrix of the three-dimensional Zamolodchikov model is derived. This Hamiltonian is defined on a lattice ofN×M sites. The special casesN×2, 2×M, and 3×M are studied.This paper is dedicated to Cyril Domb.     

R.C.曲线交叉粱系双目标优化设计的研究

本文对R.C正交直线-曲线粱系进行双目标优化设计,取结构造价和钢筋用量两类指标构造目标函数,建立了此类结构的基于Pareto最优性准则的数学模型,并对“线性加权和算法”进行改进,由此求得的综合最优解与一般算法的解答基本重合,而迭代计算的工作量却显著减少。对数值计算结果进行分析、讨论,得出一些比单目标优化设计更有理论和实际意义的结论。     

血液净化用吸附剂脱附过程的数学模型研究

对已吸附了低密度脂蛋白（ＬＤＬ）及极低密度脂蛋白（ＶＬＤＬ）达到饱和程度的吸附柱，用１ｍｏｌ／Ｌ的生理盐水进行脱附，采用修正Ｌａｎｇｍｕｉｒ吸附式建立了连续脱附过程的数学模型，计算结果与实验测定值吻合，表明该数学模型适用于描述类似于ＬＤＬ及ＶＬＤＬ这类蛋白质大分子的脱附过程。     

Geometric critical exponent inequalities for general random cluster models

A set of new critical exponent inequalities,d(1 –1 /)2 –, dv(1 – 1/), andd> 1, is proved for a general class of random cluster models, which includes (independent or dependent) percolations, lattice animals (with any interactions), and various stochastic cluster growth models. The inequalities imply that the critical phenomena in the models are inevitably not mean-field-like in the dimensions one, two, and three.The present work was reported at the 56th Statistical Mechanics Meeting (Rutgers, December 1986).     

A class of interaction-round-a-face models and its equivalence with an ice-type model

A new model (called the Temperley-Lieb interactions model) is introduced, in two-dimensional lattice statistics, on a square lattice . The Temperley-Lieb equivalence of this model to the six-vertex, self-dual Potts, critical hard-hexagons and critical nonintersecting string models is established. A graphical equivalence of this model to the six-vertex model generalizes this equivalence to noncritical cases of the above models. The order parameters of a specialization of this model are studied.     

Selection of the number of regression variables; A minimax choice of generalized FPE

Summary A generalized Final Prediction Error (FPE_α)_ criterion is considered. Based onn observations, the numberk of regression variables is selected from a given range 0≦k≦K, so as to minimize . It is shown that if α tends to infinity withn, the selection is consistent but the maximum of the mean squared error of estimates of parameters diverges to infinity with the same order of divergence as that of α. A meaningful minimax choice of α exists for a regret type mean squared error, while for simple mean squared error it is trivially 0. The minimax regret choice of α converges to a constant, approximately 3.5 forK≧8 ifn−K increases simultaneously withn, otherwise it diverges to infinity withn.     

Exact results for a generalized classicalO(n) matrix spin model

A generalizedO(n) matrix version of the classical Heisenberg model, introduced by Fuller and Lenard as a classical limit of a quantum model, is solved exactly in one dimension. The free energy is analytic and the pair correlation functions decay exponentially for all finite temperatures. It is shown, however, that even for a finite number of spins the model has a phase transition in then limit. The transition features a specific heat jump, zero long-range order at all temperatures, and zero correlation length at the critical point. The Curie-Weiss version of the model is also solved exactly and shown to have standard mean-field type behavior for all finiten and to differ from the one-dimensional results in then limit.     

Sampling and local models for multivariate image analysis

Local models are a very important concept for microscopic and macroscopic imaging. Different methods of sub-sampling a multivariate image are described both in general and for three examples. The need for sub-sampling and its influence on multivariate image analysis and visualization are studied. Examples from MRI (256 × 256), satellite imaging (7 × 512 × 512) and biofuel studies (6 × 512 × 512) are used to illustrate some of the principles involved.     

Photoelectron Spectra of Nonmetal Compounds and Their Interpretation by MO Models

The results of (low energy) photoelectron spectroscopy render possible a better appreciation of the “Nature of the Chemical Bond”. The application of this new experimental method is demonstrated utilizing representative compounds of the nonmetal elements, and a close symbiosis delineated with molecular orbital models. In particular, general consequences are discussed concerning electron deficiency, σ- and π-interactions, electron pair delocalization, and substituent effects or geometric perturbations. Photoelectron spectroscopic ionization energies permit evaluation of parameters for specified molecular groups, allow correlation with numerous other experimental data, and are didactically valuable in the teaching of general chemistry.     

Relative stability of major types of beta-turns as a function of amino acid composition: a study based on Ab initio energetic and natural abundance data

Folding properties of small globular proteins are determined by their amino acid sequence (primary structure). This holds both for local (secondary structure) and for global conformational features of linear polypeptides and proteins composed from natural amino acid derivatives. It thus provides the rational basis of structure prediction algorithms. The shortest secondary structure element, the beta-turn, most typically adopts either a type I or a type II form, depending on the amino acid composition. Herein we investigate the sequence-dependent folding stability of both major types of beta-turns using simple dipeptide models (-Xxx-Yyy-). Gas-phase ab initio properties of 16 carefully selected and suitably protected dipeptide models (for example Val-Ser, Ala-Gly, Ser-Ser) were studied. For each backbone fold most probable side-chain conformers were considered. Fully optimized 321G RHF molecular structures were employed in medium level [B3LYP/6-311++G(d,p)//RHF/3-21G] energy calculations to estimate relative populations of the different backbone conformers. Our results show that the preference for beta-turn forms as calculated by quantum mechanics and observed in Xray determined proteins correlates significantly.