模糊处理变结构神经网络日负荷预测方法研究

对于受不确定因素影响的日电力负荷,首次提出了基于模糊分类规则的变结构神经网络负荷预测模型,考虑从两方面改进预测精度,一个方面是通过模糊分类规则,使过去的负荷数据分为不同气候特征,选用同类特征数据进行预测,另一方面是通过神经网络变结构优化,确定最优网络和最优拟合逼近,从而得到最优的预测结果,这种新方法同时考虑了天气因素的影响和神经网络的最优确定,因此,较大提高了日负荷预测的精度。     

聚甲基丙烯酸甲酯-丙烯酸酰胺嵌段共聚物的合成与表征

引发剂;苯胺;聚甲基丙烯酸甲酯-丙烯酸酰胺嵌段共聚物的合成与表征     

铜的喹哪啶配合物[Cu(Me-quin)2H2O]的合成、表征及晶体结构

本文合成了铜的喹哪啶配合物[Cu(Me-quin)     

一种新的De Novo生物活性分子设计方法

由药效团进行虚拟活性结构生成与3D-QSAR模型相结合,筛选出有前途的结构多样性的化合物,并从中寻找活性先导化合物,是一种新的分子设计方法。采用这种方法对抗小麦赤霉病类含氟农药进行了研究,共生成了53个虚拟活性结构,通过3D-QSAR模型筛选出其中10个活性较高的结构,在活性最高的化合物基础上进行了结构修饰,得到了活性更高且毒性较低的理想化合物。研究结果表明这种方法能突破原模型化合物结构模式的局限,可以找到结构新颖的活性先导化合物,是一种非常有前途的分子设计方法,而且具有较高的筛选效率。     

咪唑配合物[Co(C3H4N2)6](PhCHCHCOO)2的合成及晶体结构

The complex [Co(Im)6](Cin)2 (Im=imidazole,Cin=cinnamate) was prepared by reaction of Co(PhCHCHCOO)2 with imidazole in ethanol. It has been determined by single crystal X-ray analyses. The crystals are triclinic, space group P, with a=9.7601(3),b=10.5935(3),c=11.3269(2)(A),α =69.948(1),β =71.027(1),γ =62.803(1)°, and Z=1. The crystal structure of the title complex consists of monomeric [Co(Im)6]2+ cations and cinnamate anions in which the cobalt(Ⅱ) ion assumes a centrosymmetric octahedral geometry with the CoN6 chromophore. In the solid state, the complex forms a three dimensional network through N-H… O hydrogen bonds, the intermolecular hydrogen bonds connect the [Co(Im)6]2+ cations and cinnamate anions.The cinnamate anions are nearly planar.     

用经典Hopkinson杆测试弹性模量的初步探讨

采用一维弹性应力波理论,实现了经典Hopkinson杆试验的计算机模拟,研究了试验"测得"(重构)的应力-应变曲线的精确度,并结合具体试验进行了分析.由于经典Hopkinson杆试验的基本计算公式中引入了"应力均匀性"假设,因此在有限应变范围内,重构的应力-应变曲线总是和输入(真实)曲线差异较大.结果表明,采用经典Hopkinson杆测量的弹性模量是不可靠的,因此实践中应慎用.     

Tribological properties of diamond-like carbon films deposited by pulsed laser arc deposition

A novel method, pulsed laser arc deposition combining the advantages of pulsed laser deposition and cathode vacuum arc techniques, was used to deposit the diamond-like carbon (DLC) nanofilms with different thicknesses. Spectroscopic ellipsometer, Auger electron spectroscopy, x-ray photoelectron spectroscopy, Raman spectroscopy, atomic force microscopy, scanning electron microscopy and multi-functional friction and wear tester were employed to investigate the physical and tribological properties of the deposited films. The results show that the deposited films are amorphous and the sp$^{2}$, sp$^{3}$ and C--O bonds at the top surface of the films are identified. The Raman peak intensity and surface roughness increase with increasing film thickness. Friction coefficients are about 0.1, 0.15, 0.18, when the film thicknesses are in the range of 17--21~nm, 30--57~nm, 67--123~nm, respectively. This is attributed to the united effects of substrate and surface roughness. The wear mechanism of DLC films is mainly abrasive wear when film thickness is in the range of 17--41~nm, while it transforms to abrasive and adhesive wear, when the film thickness lies between 72 and 123~nm.     

Low-dimensional structures formed by irradiation of laser

Some kinds of low-dimensional nanostructures can be formed by irradiation of laser on the pure silicon sample and the SiGe alloy sample. This paper has studied the photoluminescence (PL) of the hole-net structure of silicon and the porous structure of SiGe where the PL intensity at 706nm and 725nm wavelength increases obviously. The effect of intensity-enhancing in the PL peaks cannot be explained within the quantum confinement alone. A mechanism for increasing PL emission in the above structures is proposed, in which the trap states of the interface between SiO₂ and nanocrystal play an important role.     

Density Functional Calculations on a Double Hydrogen-bonded Dimer

Density functional theory (DFT) calculations on a double hydrogen-bonded dimer of o-hydroxybenzoic acid were carried out at the B3LYP/6-31G^* level. The optimized geometry of the dimer closely resembles that of the crystal. The calculated results show that the total energy of the dimer is much lower than the sum energies of the two monomers, and the average strength of the double hydrogen bonds is about 38.37 kJ/mol. In order to probe the origin of the interactions in the dimer, natural bond orbital analyses were performed. The thermodynamic properties of the title compound at different temperatures have also been calculated on the basis of vibrational analyses and ΔGT, the change of Gibbs free energy for the aggregation from monomer to the dimmer, is 26.47 kJ/mol at 298.15 K and 0.1MPa, implying the spontaneous process of forming the dimer. The correlation graphics of Sm^0 Hm^0 and temperatures is depicted.     

图的无符号拉普拉斯和距离无符号拉普拉斯特征值

Let G be a simple graph. We first show that ■, where δiand di denote the i-th signless Laplacian eigenvalue and the i-th degree of vertex in G, respectively.Suppose G is a simple and connected graph, then some inequalities on the distance signless Laplacian eigenvalues are obtained by deleting some vertices and some edges from G. In addition, for the distance signless Laplacian spectral radius ρQ(G), we determine the extremal graphs with the minimum ρQ(G) among the trees with given diameter, the unicyclic and bicyclic graphs with given girth, respectively.