An application of chemometric techniques to analyze the effects of the wave function modifications on the intermolecular stretching frequencies of the hydrogen-bonded complexes

Factorial design and principal component models are used to determine how ab initio H-bond stretching frequencies depend on characteristics of the molecular orbital wave functions of acetylene–HX, ethylene–HX and cyclopropane–HX π-type hydrogen complexes with X=F, Cl, CN, NC and CCH. The results obtained for the three sets of complexes show that factorial design and principal component analyses complement each other. Factorial design calculations clearly show that these frequencies are affected mostly by inclusion of electron correlation on the calculation level. On average, their values are increased by about 25 cm⁻¹ due to a change from the Hartree–Fock (HF) to Möller–Plesset 2 (MP2) level. Valence, diffuse and polarization main effects as well as valence–diffuse, diffuse–correlation and polarization–correlation interaction effects are also important to better describe a factorial model to the H-bond stretching frequencies of these hydrogen complexes. This simplified model has been successful in reproducing the complete ab initio results, which correspond to two hundred and forty calculations. Principal component analyses applied only to hydrogen-bonded complexes whose experimental frequencies are known, has revealed that the six-dimensional original space can be accurately represented by a bidimensional space defined by two principal components. Its graphical representation reveals that the experimental intermolecular stretching frequencies are in closest agreement with the MP2/6–31+G and MP2/6–311+G ab initio results.     

Influence of thermal treatments on the elastic parameters in iron rich metallic glasses

The change of magnetoelastic properties after thermal treatments has been investigated for two groups of metallic glasses. (Fe₇₉Co₂₁)_75+xSi_15−1.4xB_10+0.4x (x (at.%)=0, 2, 4, 6, 8, 10) has been studied both in the as-prepared state and after thermal annealing in an applied magnetic field, to achieve a particular domain structure, at temperatures well below the crystallization temperatures. Changes in the ΔE effect, magnetomechanical coupling (k) and internal friction coefficient (Q⁻¹) are reported, reaching values of about 60% of the saturation value E_S. Fe₆₄Ni₁₀Nb₃Cu₁Si₁₃B₉ alloys annealed in vacuum for 1 h in the temperature range 350–550 °C showed maximum values of the ΔE effect and k of 61% and 0.85, respectively, accompanied by a minimum value of Q of around 2 for the sample annealed at 460 °C. These variations are related to the progress of nanocrystalization. The properties achieved are among the best reported for magnetomechanical applications.     

闪光灯泵浦Nd3+:GGG激光特性研究

用闪光灯泵浦掺钕钆镓石榴石(Nd^3 ：GGG)激光晶体，研究了脉冲宽度0．5ms、1ms、1．5ms和2ms的放电泵浦下激光输出，实验获得了1．92J的最大激光能量．     

Mechanical spectroscopy in commercial Fe–6 wt.% Si alloys between 400 and 1000 K

Mechanical spectroscopy, neutron diffraction and differential scanning calorimetry (DSC) were performed on commercial Fe–6 wt.% Si alloy after quenching from high temperature. The damping spectrum shows a peak at around 800 K and an associated modulus defect. The modulus shows an increase during the second and subsequent heating runs. In addition, an anomaly in the modulus behavior has been found at around 400 K. Different thermal treatments allows to obtain two different recovery degrees of the quenched-in defects. The influence of the recovery degree on the 800 K internal friction peak and on the anelastic modulus has been evaluated and confirm the validity of the grain boundary mechanism associated to this peak. Experimental results are discussed on the basis of recovery and ordering processes.     

微机械可调谐滤波器的研制

利用 Ga As/Al Ga As分布反馈 Bragg反射镜在 Ga As衬底上制作了一个微机械的调谐滤波器 .该器件在 7V调谐电压下调谐范围达28nm     

In-tube condensation of mixture of R134a and ester oil: empirical correlations

This paper presents a comparative study of the condensation heat transfer coefficients in a smooth tube when operating with pure refrigerant R134a and its mixture with lubricant Castrol “icematic sw”. The lubricant is synthetic polyol ester based oil commonly used in lubricating the compressors. Two concentrations of R134a-oil mixtures of 2% and 5% oil (by mass) were analysed for a range of saturation temperatures of refrigerant R134a between 35 °C and 45 °C. The mass flow rate of the refrigerant and the mixtures was carefully maintained at 1 g/s, with a vapour quality varying between 1.0 and 0. The effects of vapour quality, flow rate, saturation temperature and temperature difference between saturation and tube wall on the heat transfer coefficient are investigated by analysing the experimental data. The experimental results were then compared with predictions from earlier models [Int J Heat Mass Transfer (1979), 185; 6th Int Heat Transfer Congress 3 (1974) 309; Int J Refrig 18 (1995) 524; Trans ASME 120 (1998) 193]. Finally two new empirical models were developed to predict the two-phase condensation heat transfer coefficient for pure refrigerant R134a and a mixture of refrigerant R134a with Castrol “icematic sw”.     

经济实用的DSP电源解决方案

笔者介绍了两种低纹波的DSP电源解决方案:一为采用MAX1793和大电流EMI静噪滤波器NFM41P;二为改进的去耦p型滤波电路和大电流EMI静噪滤波器NFM41P。并对方案的特点及其实现进行了详细的解析。试验结果表明:所述方案的纹波小,仅100 mV左右;成本低,仅几十元;适用范围广,通过改变MAX1793芯片的输出电压,可将本方案移植到TI的C5000,C6000系列,且还可用于其他的脱机工作系统。     

改性双马来酰亚胺的研究

本文研究了双马来酰亚胺与烯丙基化合物形成的改性树脂体系的固化和热性能，讨论了单体配比、增韧剂、催化剂对性能的影响。     

采用纯化学物质校准仪器测定钛合金中碳量

采用纯化学物质对高频加热－红外检测碳硫仪校准，对钛合金中的碳量进行测定。     

带隔板底水油藏油井临界产量计算公式

本给出了带隔板底水油藏油井的监界产量计算公式，它适用于所有带隔板底水油藏的油井。