矩形槽内水体大幅晃动分析中截断误差影响范围判断方法探讨

液体大幅晃动是目前CFD研究中一个热点。在CFD中,偏微分方程离散所产生的截断误差是主要的误差来源,且与网格尺度密切相关。本文首先从理论上介绍了截断误差的产生过程,由此过程可知截断误差与物理粘性的作用具有类似性。以此概念为基础,根据液体晃动动力响应的特点提出了在液体大幅晃动分析中,如何通过对物理粘性系数的参数敏感性分析,判断截断误差的作用范围从而判断计算精度是否满足要求的方法,最后与现有试验资料进行对比校核,验证了该方法的实用性。     

New accurate data for the spectrum of neutral silver

High resolution spectra of neutral silver have been recorded by Fourier Transform Spectrometry in the region 2 000-8 280 ?(50 000-12 000 cm^-1) with silver-neon and silver-argon hollow cathode lamps as sources. This work represents order-of-magnitude improvements, compared to previous work on Ag I, in accuracy of transition wavelengths and wavenumbers, and energy level values. 35 classified Ag I transitions are given, and the wavenumber uncertainty for the strongest lines is less than 0.002 cm^-1. Improved values for 28 energy levels are presented. Received 31 January 2000 and Received in final form 13 June 2000     

A new method for the calculation of Sommerfeld screening parameter σ1 in x-ray spectra

The paper describes a new method for the calculation of the Sommerfeld screening parameter σ₁. It requires neither the knowledge of the energy separations of spin doublet levels nor is it based on the application of the Hertz law. The only data required for the calculation are the experimental energy values of the level concerned for the series of elements belonging to the same subshell in which the element in the question is situated. As an illustration the values of σ₁ are calculated for the L ₁, L ₂ and L ₃ levels for elements belonging to the 4f subshell and these are found to be in excellent agreement with those published earlier by Gokhale and Misra. The method brings out the constancy of σ₁ (L ₂ L ₃)−σ₁(L ₁) in a natural way and may thus be regarded as providing theoretical explanation of the Hertz law.     

Temperature-dependent susceptibility in ALON

Herein, we propose a stochastic model of the complex susceptibility in aluminum nitride (ALON), a polycrystalline transparent ceramic. The proposed model yields an inverse power-law dependence of the dielectric loss tangent on frequency, in remarkably close agreement with data. In addition, the phenomenological parameters are found to be strongly temperature-dependent. This temperature dependence is determined, in the theoretical model, to be a consequence of the thermodynamic properties of the molecular dipoles in the material.     

ADAPTIVE CONTROL AND IDENTIFICATION OF CHAOTIC SYSTEMS

A novel adaptive control and identification on-line method is proposed for a class of chaotic system with uncertain parameters. We prove that, using the presented method, a controller and identifier is developed which can remove chaos in nonlinear systems and make the system asymptotically stabilizing to an arbitrarily desired smooth orbit. And at the same time, estimates to uncertain parameters converge to their true values. The advantage of our method over the existing result is that the controller and identifier is directly constructed by analytic formula without knowing unknown bounds about uncertain parameters in advance. A computer simulation example is given to validate the proposed approach.     

The evolution of track theory throughout the history of the international solid state detector conferences

This work is devoted to the 20th Anniversary of the international “Nuclear Tracks in Solids” conferences. Several principal stages of track theory evolution have been analyzed.     

立体拥挤二苯基卡宾分子结构的电子效应

通过对二苯基重氮甲烷的光照射产生了一系列具有对称对位取代基的三线态二(2,6-二甲苯基)卡宾.用电子顺磁共振波谱对其进行了研究.通过对不同粘度的基质(matrix)中零磁场分裂参数D和E的测定,依据电子自旋离域取代基常数σr对三线态二苯基卡宾的分子结构的取代基效应进行了分析.并通过对卡宾的热消失温度及其室温脱气苯溶液中寿命的测定,对三线态二(2,6-二甲苯基)卡宾的稳定性进行了定量考察.结果表明,对卡宾中心的自旋电子具有离域效应的取代基使三线态二(2,6-二甲苯基)卡宾采取低能稳定的直线型结构,且显示了更好的热稳定性和更长的寿命.     

Determination of water states and the structural parameters of W/O microemulsions

The states of water in sodium bis(2-ethylhexyl) sulfosuccinate (AOT)/isooctane/water reverse(W/O) microemulsions system have been investigated by using Fourier transform infrared spectroscopy(FT-IR) technique. The broad peak obtained for hydroxy(O-H) of water has been resolved by least square curve-fitting. It has been observed that the water solubilized in microemul-sion droplets has four states, i.e. bound water with sulfo-group, free water, bound water with sodium counterion in the water pool of microemulsion droplets and a small amount of trapped water in the palisade layer of microemulsion droplets. The following have also been determined: the aggregation number (n), the radius of the water pool in the microemulsions(rw), the thickness of the bound water with sulfo-group(d1), the thickness of the bound water with sodium counterion(d2), the total thickness of the bound water (d) and the effective area of head groups of AOT(AAOT).     

Ab initio study of the structure and conformations of 2-fluoroethanal in the ground and lowest excited electronic states

The structure of the conformationally flexible 2-fluoroethanal molecule (CH₂FCHO, FE) in the ground (S₀) and lowest excited triplet (T₁) and singlet (S₁) electronic states was investigated by ab initio quantum-chemical methods. The FE molecule in the S₀ state was found to exist as two conformers, viz., as cis (the F—C—C—O angle is 0°) and trans (the F—C—C—O angle is 180°) conformers. On going both to the T₁ and S₁ states, the FE molecule undergoes substantial structural changes, in particular, the CH₂F top is rotated with respect to the core and the carbonyl CCHO fragment becomes nonplanar. The potential energy surfaces for the T₁ and S₁ states are qualitatively similar, viz., six minima in each of the excited states of FE correspond to three pairs of mirror-symmetrical conformers. Based on the potential energy surfaces calculated for the FE molecule in the T₁ and S₁ states, the one-dimensional problems on the torsion and inversion nuclear motions as well as the two-dimensional torsion-inversion problems were solved.     

Far infrared spectra, conformational equilibria, vibrational assignments, ab initio calculations and structural parameters for 2-bromoethanol

The far infrared spectrum from 370 to 50 cm⁻¹ of gaseous 2-bromoethanol, BrCH₂CH₂OH, was recorded at a resolution of 0.10 cm⁻¹. The fundamental O–H torsion of the more stable gauche (Gg′) conformer, where the capital G refers to internal rotation around the C–C bond and the lower case g to the internal rotation around the C–O bond, was observed as a series of Q-branch transitions beginning at 340 cm⁻¹. The corresponding O–H torsional modes were observed for two of the other high energy conformers, Tg (285 cm⁻¹) and Tt (234 cm⁻¹). The heavy atom asymmetric torsion (rotation around C–C bond) for the Gg′ conformer has been observed at 140 cm⁻¹. Variable temperature (−63 to −100°C) studies of the infrared spectra (4000–400 cm⁻¹) of the sample dissolved in liquid xenon have been recorded. From these data the enthalpy differences have been determined to be 411±40 cm⁻¹ (4.92±0.48 kJ/mol) for the Gg′/Tt and 315±40 cm⁻¹ (3.76±0.48 kJ/mol) for the Gg′/Tg, with the Gg′ conformer the most stable form. Additionally, the infrared spectrum of the gas, and Raman spectrum of the liquid phase are reported. The structural parameters, conformational stabilities, barriers to internal rotation and fundamental frequencies have been obtained from ab initio calculations utilizing different basis sets at the restricted Hartree–Fock or with full electron correlation by the perturbation method to second order. The theoretical results are compared to the experimental results when appropriate. Combining the ab initio calculations with the microwave rotational constants, r₀ adjusted parameters have been obtained for the three 2-haloethanols (F, Cl and Br) for the Gg′ conformers.