自由曲面光学虚拟制造与检测系统的探讨

自由曲面光学产品设计、制造与检测的工艺流程，通常采取试凑法逐次逼近。由于加工 检测 再加工，循环往复，既费时，成本又高，产生了瓶颈问题。为了解决此弊端，本文运用虚拟制造技术，提出光学虚拟制造的基本构想，即虚拟制造系统结构模型，给出光学系统虚拟原型的构成和光学系统成像质量虚拟检测系统的构成，讨论光学成像质量的仿真检测以及敏度分析方法。研究结果表明：运用虚拟制造与检测技术，可缩短研发周期，降低成本，优化工艺并提高产品质量。     

Ultrasonic Broadband Spectrometry of Liquids A Research Tool in Pure and Applied Chemistry and Chemical Physics

This review is a survey of the many scientific applications of ultrasonic broadbandspectrometry (absorption and velocity measurements with coherent sound waves)in liquids and liquid systems, covering, at present, a frequency range from nearly10 kHz to 10 GHz. Ultrasonic spectrometry has proved to be an almost universalresearch tool in many laboratories, one that is useful for investigation of variouschemical, biochemical, and physicochemical systems. Sound waves traversingliquids induce periodic perturbations in pressure and temperature, which can shiftequilibria, resulting in characteristic sound absorption and velocity dispersionspectra. An analysis of such spectra yields valuable information about thermodynamic and kinetic parameters of the particular system that is often difficult toobtain by other methods. Since such periodic perturbations imposed on the systemare incremental in nearly all cases, the system can be studied under equilibriumconditions. All nonlinear effects (heating, nonconstant fluid compressibility, andothers) are negligible, permitting, for instance, the application of linearized rateequations. In this review, various examples of measured broadband spectra arepresented. Related elementary processes are discussed. Among these are ionicand molecular reactions, including mechanisms of association and complexation,proton transfer, solvation, isomerization, interconversion, side-group rotation,hydrogen-bonding, as well as stacking processes and micelle formation. Specialattention will be given to the extensive research on chemical relaxation.Fundamental early and recent publications are cited and discussed. Many referencesare included with particular emphasis on less well known research and publicationsfrom countries of the former USSR. This review aims at a demonstration of thewidespread applications of modern ultrasonic techniques in many fields ofliquid-state research.     

自由曲面光学透镜注射成型误差因素研究

自由曲面光学透镜注射成型误差对其光学性能将产生直接影响。注射成型过程中，注射工艺参数组合的优劣，直接影响成型误差的大小。为了获得高精密度的光学元件，就热塑性塑料的注射温度、模具温度、注射压力、保压压力及保压时间等主要工艺参数，对注射成型误差的影响进行综合研究,并且进行了实验验证。研究结果表明：适当提高注射温度与模具温度，同时采用高压注射、高压保压以及快速保压工艺，可显著降低注塑工件的体积收缩率，显著提高面形精密度，其光学表面面形误差小于0.1μm。可为注射工艺设计提供合理的依据。     

Rotational Dynamics of Adamantanecarboxylic Acid in Complex with β-cyclodextrin

The reorientation of 1-adamantanecarboxylic acid (AdCA) within the β-cyclodextrin (β-CD) cavity is investigated by means of multiple-field ¹³C NMR relaxation. The dissociation constant describing the complexation equilibrium is determined using translational diffusion measurements for the guest during a titration by the host in D₂O/DMSO solvent mixture. The changes in apparent diffusion properties of AdCA during the titration are at 25 °C well described assuming the formation of a 1:1 complex, whereas at 0 °C the data indicate the presence of a 2:1 (guest:host) complex. The ¹³C NMR relaxation parameters for the AdCA molecule bound inside the β-CD cavity are extracted. Despite the high association constant, indicating a strong interaction between the two molecules, the guest molecule is quite mobile. The reorientation of the bound AdCA at 25 °C can be described by either the Lipari–Szabo or the axially symmetric rotational diffusion model. The motion is extremely anisotropic: the adamantyl group rotates fast around the β-CD symmetry axis, inside its cylindrical cavity. At lower temperature, the relaxation properties are no longer possible to explain using these models. Instead, the data are analyzed using extended, three-step spectral density of Clore et al. [J. Am. Chem. Soc. 112, 4989 (1990)].     

Eventual Positivity of Hermitian Algebraic Functions and Associated Integral Operators∗

Quillen proved that repeated multiplication of the standard sesquilinear form to a positive Hermitian bihomogeneous polynomial eventually results in a sum of Hermitian squares, which was the first Hermitian analogue of Hilbert’s seventeenth problem in the nondegenerate case. Later Catlin-D’Angelo generalized this positivstellensatz of Quillen to the case of Hermitian algebraic functions on holomorphic line bundles over compact complex manifolds by proving the eventual positivity of an associated integral operator. The arguments of Catlin-D’Angelo involve subtle asymptotic estimates of the Bergman kernel. In this article, the authors give an elementary and geometric proof of the eventual positivity of this integral operator, thereby yielding another proof of the corresponding positivstellensatz.     

SELECTION OF TRAINING SAMPLES FOR MODEL UPDATING USING NEURAL NETWORKS

One unique feature of neural networks is that they have to be trained to function. In developing an iterative neural network technique for model updating of structures, it has been shown that the number of training samples required increases exponentially as the number of parameters to be updated increases. Training the neural network using these samples becomes a time-consuming task. In this study, we investigate the use of orthogonal arrays for the sample selection. A comparison between this orthogonal arrays method and four other methods is illustrated by two numerical examples. One is the update of the felxural rigidities of a simply supported beam and the other is the update of the material properties and the boundary conditions of a circular plate. The results indicate that the orthogonal arrays method can significantly reduce the number of training samples without affecting too much the accuracy of the neural network prediction.     

Conformation changes of albumin in its interaction with physiologically active compounds as studied by quasi-elastic light scattering spectroscopy and ultrasonic method

The effect of pH and binding of ten physiologically active compounds (PAC) on conformational organization of human serum albumin (HSA) in aqueous solutions has been studied using two different methods. The hydrodynamic sizes of albumin globule and its subunits were obtained from diffusion coefficients measured by quasi-elastic light scattering. The adiabatic volume compressibility of albumin was evaluated from ultrasonic velocity and density measurements. It was found, that albumin globule has the most compact configuration (hydrodynamic diameter 59-62 A and molar compressibility 5.6 m(3) Pa(-1) mol(-1)) at physiological pH 7.4. The changes in pH, both increase to 8.0 and decrease to 5.4, result in the growth of globule size to 68-81 A. An additional peak corresponding to diffusion of the separate albumin subdomains (hydrodynamic diameter 32-40 A) is observed in the light scattering spectra and globule compressibility decrease to 4.5-2.8 m(3) Pa(-1) mol(-1) at the acidic shift of pH. The additional peak was not displayed and globule compressibility increased to 6.4 m(3) Pa(-1) mol(-1) at the basic shift of pH. The acidic changes were attributed to unfolded and elastic conformation of albumin with a high motility of separate subdomains, whilst the basic changes correspond to a closed compressible configuration of albumin molecule. The interaction with propranolol, clonidine, phenylephrine, carbachol and tripeptide fMLP, which hinder adenylate cyclase (AdC) and activate Ca-polyphosphoinisitide (Ca-PPI) signaling system of a cell, initiates structural rearrangements similar to acidic transitions of albumin. Isoproterenol, yohimbine, diphenhydramine, chlorpromazine and atropine, which activate AdC and hinder Ca-PPI, cause conformational changes of albumin similar to basic transitions. The results obtained are consistent with the idea of structural and pharmacological similarity among the drugs inside the marked groups.