QEPAS系统中石英音叉模态仿真计算与研究

对石英音叉增强型光声光谱(QEPAS)系统中常用的石英音叉进行了有限元模态计算，获得石英音叉前6阶振型与模态频率，认知了第4阶对称摆动振型为有效振动，利用单因素法分析了石英音叉的音臂长度l₁、音臂宽度w₁、音臂厚度t、音臂切角θ、音臂圆孔直径d及音臂圆孔高度h对低阶有效共振频率(Fre)的影响，敏感度依次为： l₁> w₁>d>θ>t>h，考虑实际设计情形，筛选出了l₁，w₁，d与h四个石英音叉设计变量，采用Box-Behnken实验设计方案与RSM(response surface methodology)方法，以Fre为函数目标，建立l₁，w₁，d与h的二次回归响应面模型，得到了参数之间的交互作用，利用Design-Expert软件对响应面模型进行设计参数反求，结果表明，在15 000 Hz≤Fre≤25 000 Hz计算区域内误差较小，基本满足QEPAS系统的计算需求，所提出的研究与设计方法具有一定通用性，可为QEPAS系统中石英音叉结构参数设计提供参考。     

一类血吸虫病模型Hopf分支的频域分析

运用频域上的分支理论研究了一类血吸虫病传播模型的Hopf分支动态，严格证明了Hopf分支的存在性，运用四阶调和平衡方法推导出由Hopf分支产生的周期轨的近似解析表达式、频率和振幅。研究结果表明，被感染的钉螺由潜伏期进入易传染期的几率δ对人体内寄生虫数量有重要影响。     

Dinuclear gold (I)-di-N-heterocyclic carbene complexes: syntheses,structure, density functional theory calculation and photoluminescence study

The synthesis and characterizations for a series of dinuclear gold (I)-di-NHC complexes, 1–8 through the trans-metalation method of their respective silver (I)-di-NHC complexes, i–viii are reported (where NHC = N-heterocyclic carbene). The successful complexation of a series of unusual non-symmetrical and symmetrical di-NHC ligands, 3,3'-(ethane-1,2-diyl)-1-alkylbenzimidazolium-1'-butylbenzimidazolium (with alkyl = methyl, ethyl, propyl, butyl, pentyl, hexyl, heptyl, benzyl) with the gold (I) ions are suggested by elemental analysis, Fourier transform-infrared, ¹H- and ¹³C-NMR data. The ¹³C-NMR spectra of 1–8 show a singlet sharp peak in the range of 190.00–192.00 ppm, indicating the presence of a carbene carbon that bonded to the gold (I) ion. From single crystal X-ray diffraction data, the structure of complex 6 with the formula of [di-NHC-Au (I)]₂·2PF₆ is obtained [where NHC = 3,3'-(ethane-1,2-diyl)-1-hexylbenzimidazolium-1'-butylbenzimidazolium]. The photophysical study in solid state of 6 displays an intense photoluminescence with a strong emission maxima, λ_em = 480 nm, upon excitation at 340 nm at room temperature. Interestingly, the emission maximum at 77 K shows a structural character with a strong peak at 410 nm, a medium at 433 nm and a weak at 387 nm, accompanied by a tail band to about 500 nm.     

New organoruthenium metallates containing ferrocenecarboxalidine thiosemicarbazones and their nucleic acid/albumin binding and in vitro cytotoxicity

A string of four new hetero binuclear Ru(III) complexes of ferrocenecarboxaldehyde-4(N)-substituted thiosemicarbazones were synthesized and characterized by various spectral (infrared, ultraviolet–visible, Electron Paramagnetic Resonance (EPR) and High Resolution Mass Spectrometry (HR-MS) techniques. The binding abilities of the ligands/complexes with nucleic acid (calf thymus DNA, CT-DNA) and bovine serum albumin (BSA) were analyzed by absorption and emission titration methods. The complexes exhibited better DNA binding affinity than their parent ligands. The interaction with CT-DNA was found to be intercalative and with BSA static quenching mechanism was observed. All the synthesized Ru(III) complexes were subjected to study their in vitro cytotoxicity against MCF-7 (human breast cancer) and HT-29 (human colon cancer) cell lines. Among the four complexes, complex 3 [RuCp (FF-etsc)PPh₃]Cl exhibited the highest cytotoxicity in MCF-7 cells and complex 4 [RuCp (FF-ptsc)PPh₃]Cl was the most active on HT-29 cells.     

冷轧带钢局部高点卷取过程起筋控制的建模与仿真

为了研究带钢局部高点卷取起筋的控制方法，利用三维弹塑性变形基本理论，并引入带钢塑性流动因子，建立了弹塑性卷取应力和起筋量模型.基于应力函数假设、S. Timoshenko最小功原理和伽辽金虚位移法建立了起筋带钢的应力场分布和可用于在线计算的起筋临界卷取张力设定模型.仿真结果表明：局部高点在径向累积叠加所引起的带钢张力不均匀分布和轴向压应力是导致带钢起筋的主要原因；起筋量随局部高点高度、卷径和卷取张力增加而增大，薄带钢比厚带钢起筋量增幅明显；临界卷取张力随卷径、带钢厚度和局部高点高度增大而减小.     

Et2Zn-mediated stoichiometric C(sp)-H silylation of 1-alkynes and chlorosilanes

A first example of an Et₂Zn mediated silylation of 1-aklynes is reported. A series of functional groups are tolerated in this reaction. Mechanistic studies support Zn alkynilides as intermediates in the reaction. This reaction protocol provides a practical method for the preparation of alkynylsilanes and expands the application of organometallic zinc in organic synthesis.     

带有临界增长的Kirchhoff方程极小能量变号解的存在性

为了深入研究Kirchhoff方程的性质,讨论了带有Hartree项和临界增长非线性项的Kirchhoff方程极小能量变号解的存在性。利用能量泛函在变号Nehari流形上的下确界C_λ收敛于0,得到空间E紧嵌入L~6(R~3)这一技术性结果。结果表明,利用限制变分方法和定量形变引理获得极小化序列对应的极小值点是该问题的非平凡解。研究方法在理论证明方面得到了良好的结果,对研究其他Kirchhoff方程解的存在性有一定的指导意义。     

一种自适应步长的复合梯度加速优化算法

自适应步长加速(Adam)类算法由于其计算效率高、兼容性好的特点，成为近期相关领域的研究热点.针对Adam收敛速度慢的问题，本文基于当前梯度、预测梯度以及历史动量梯度，提出一种新型Adam类一阶优化算法——复合梯度下降法(C-Adam)，并对其收敛性进行了理论证明.与其他加速算法的区别之处在于，C-Adam将预测梯度与历史动量区别开，通过一次真实的梯度更新找到下一次迭代更精准的搜索方向.利用两组常用测试数据集及45钢静拉伸破坏实验的实验数据对所提算法进行验证，实验结果表明C-Adam与其他流行算法相比较具有更快的收敛速度及更小的训练损失.     

一种电力网络潮流计算的综合算法

针对牛顿-拉夫逊法对初值要求严格,迭代速度快的特点,利用电力网的结构特点,使用高斯-塞得尔迭代法的第一次迭代结果作为牛顿-拉夫逊法的计算初值。这样既解决了牛顿-拉夫逊法对初值要求高的问题,又提高了收敛速度。计算结果表明,综合算法在迭代次数和收敛速度上有优势。     

一个基于Exchange的企业办公自动化系统的实现

介绍了一个基于Exchange的企业办公自动化系统的实现，其中包括系统目标、开发平台和工具的选择、系统的功能模块、关键技术以及系统的安全机制。