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。     

Application of the Hall™ electrolytic conductivity detector for the analysis of chloroanilines and chloronitroanilines in POTW sludges

Simultaneous detection with a 700-A Hall? and an NPD detector is an effective technique for characterizing chloro-and chloronitroanilines in highly complex Publicly Owned Water Treatment Works (POTW) sludges. The utilization of a modified Varian effluent splitter and a SE-54 fused silica capillary column permitted the detection of mid-picogram quantities of the polar chloroanilines without sacrificing peak shape. The response of the Hall? detector in the halogen mode was roughly proportional to the number of chlorine atoms present, while the response of the Hall? in the nitrogen mode and the NPD was less predictably influenced by the presence of one or more nitro groups. When combined with retention time data, the ratio of the NPD response to the Hall? response has been found to substantiate the presence of chloro- and chloronitroanilines in sludge extracts.     

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.     

Analysis of a Nd: YAG laser crystal by X-ray fluorescence,scanning electron microscopy and neutron activation analysis

Recently excavated roman amphorae were submitted to instrumental neutron activation analysis for the determination of Ca, Sc, Cr, Fe, Co, Sb, Ba, La, Ce, Eu, Yb, Lu, Hf and Th. Data reduction was carried out by identifying first the elements useful for discrimination purposes and then by submitting the data to cluster analysis. Amphorae are parted in two groups which are related to different provenance areas.     

Determination of uranium and thorium in semiconductor memory materials by high fluence neutron activation analysis

Uranium and thorium were measured by absolute neutron activation analysis in high-purity materials used to manufacture semiconductor memories. The main thrust of the study concerned aluminium and aluminum alloys used as sources for thin film preparation, evaporated metal films, and samples from the Czochralski silicon crystal process. Average levels of U and Th were found for the source alloys to be ≈65 and ≈45 ppb, respectively. Levels of U and Th in silicon samples fell in the range of a few parts per trillion. Evaporated metal films containted about 1 ppb U and Th, but there is some question about these results due to the possibility of contamination. Operated by Union Carbide Corporation for the U.S. Department of Energy, under Contract No. W-7405-eng-26.     

Investigation of the mechanism of alkane reductive elimination and skeletal isomerization in Tp'Rh(CNneopentyl)(R)H complexes: the role of alkane complexes

Experiments are described that provide indirect evidence for the involvement of alkane sigma-complexes in oxidative addition/reductive elimination reactions of Tp'Rh(L)(R)H complexes (Tp' = tris-3,5-dimethylpyrazolylborate, L = CNCH(2)CMe(3)). Reductive elimination rates in benzene-d(6) were determined for loss of alkane from Tp'Rh(L)(R)H, where R = methyl, ethyl, propyl, butyl, pentyl, and hexyl, to generate RH and Tp'Rh(L)(C(6)D(5))D. The isopropyl hydride complex Tp'Rh(L)(CHMe(2))H was found to rearrange to the n-propyl hydride complex Tp'Rh(L)(CH(2)CH(2)CH(3))H in an intramolecular reaction. The sec-butyl complex behaves similarly. These same reactions were studied by preparing the corresponding metal deuteride complexes, Tp'Rh(L)(R)D, and the scrambling of the deuterium label into the alpha- and omega-positions of the alkyl group monitored by (2)H NMR spectroscopy. Inverse isotope effects observed in reductive elimination are shown to be the result of an inverse equilibrium isotope effect between the alkyl hydride(deuteride) complex and the sigma-alkane complex. A kinetic model has been proposed using alkane complexes as intermediates and the selectivities available to these alkane complexes have been determined by kinetic modeling of the deuterium scrambling reactions.