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.     

理想九点五态控制器原理的叙述

用计算的方式叙述理想九点五态控制器的控制原理。为便于人们理解二阶对象的运动中控制的变化过程,将抽象的对象转换为人们熟知的L-R-C电路,通过调节输入电压(即控制作用)的大小和方向来实现对对象性能的调节,并使系统达到理想的性能指标。最后用仿真来验证计算结果的正确性。     

高压变频技术在油田注水系统中的应用与节能分析

油田注水系统的耗电量一般占整个油田生产耗电的40％-60％,因此降低注水系统的能耗可显著降低油田的生产成本。常规的通过调节阀门开启度来达到调节注水泵出口压力和流量的作法,会使很大一部分能量造成浪费,要解决这个问题,可以采取对注水泵进行调速的方法。文章论述了通过高压变频技术对注水泵进行调速,从而达到节能效果的基本原理;对一台恒速泵和一台变频调速泵并联运行时的效率进行了分析,并对应用实例进行了计算,注水站的效率比原来提高了9．04％,收到了显著的节能效果。     

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．     

变速鱼雷推进器动态模型理论研究

传统鱼雷推进器静态模型已无法满足变速鱼雷的建模需要，为了解决这一问题，在国内外学者研究的基础上，运用流体动力学方法，建立了鱼雷推进器比较精确的动态模型。该模型是以推进器来流速度和螺旋桨转速为状态变量，以电机施加转矩为输入，螺旋桨推力和转矩为输出的。     

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.     

对悬臂式单转子离心机械临界转速的分析

离心机械是石油、化工、采矿等行业的常用机械,在使用过程中常出现振动现象,从而减少机器的使用寿命。要使机器运转平稳,在机器设计时必须进行临界转速计算,以使机器运转工况避开其临界转速。通过对离心机械临界转速公式的研究,发现悬臂式单转子离心机械的临界转速中窄转子离心机械有1个临界转速,宽转子离心机械有2个临界转速。     

掺气减蚀保护作用的新概念

利用针式掺气流速仪测量原型和模型掺气浓度场、流速场，气泡尺寸及其概率分布的研究成果表明，原型水流韦伯数高，形成微小气泡的能力比模型强，气泡上浮慢，接近底部的小尺寸气泡概率及掺气浓度比模型大。初步研究认为：0.2mm或0.5mm以下的微小气泡在掺气减蚀中起着主要作用，可能只要很小掺气浓度即可达到掺气减蚀的效果。因此以小尺寸气泡的掺气浓度，作为判断掺气减蚀保护作用的指标将更为准确。     

大功率半导体激光熔覆高速钢研究

使用2kW半导体激光在工具钢表面熔覆高速钢粉末。在同轴送粉的粉末汇聚点与激光的聚焦点可获得无裂纹的熔覆层。随着激光功率的增加,熔覆层厚度和粉末利用率增加,同时基体对熔覆层的稀释率下降。获得的熔覆层的硬度达到800Hv0.3,基体硬度200Hv0.3,表明大功率半导体激光在表面熔覆领域具有很好的应用前景。