Base force element method of complementary energy principle for large rotation problems

Using the concept of the base forces, a new finite element method （base force element method, BFEM） based on the complementary energy principle is presented for accurate modeling of structures with large displacements and large rotations. First, the complementary energy of an element is described by taking the base forces as state variables, and is then separated into deformation and rotation parts for the case of large deformation. Second, the control equations of the BFEM based on the complementary energy principle are derived using the Lagrange multiplier method. Nonlinear procedure of the BFEM is then developed. Finally, several examples are analyzed to illustrate the reliability and accuracy of the BFEM.     

弹塑性结构安定下限分析的无网格局部Petrov-Galerkin法

将基于Voronoi结构的无网格局部Petrov-Galerkin法与减缩基技术相结合,建立了一种安定下限分析的新方法.为了克服移动最小二乘近似难以准确施加本质边界条件的缺点,采用了自然邻近插值构造试函数.通过引入基准载荷域上载荷角点的概念,消除了安定下限分析中由时间参数所引起的求解困难.利用减缩基技术,将安定分析问题化为一系列未知变量较少的非线性规划子问题.在每个非线性规划子问题中,自平衡应力场由一组带有待定系数的自平衡应力场基矢量的线性组合进行模拟,而这些自平衡应力场基矢量可应用弹塑性增鼍分析中的平衡迭代结果得到.算例结果汪明了提出的分析方法的有效性.     

PLASTIC LIMIT ANALYSIS OF DUCTILE COMPOSITE STRUCTURES FROM MICRO-TO MACRO-MECHANICAL ANALYSIS

The load-bearing capacity of ductile composite structures comprised of periodic composites is studied by a combined micro/macromechanicai approach. Firstly, on the microscopic level, a representative volume element （RVE） is selected to reflect the microstructures of the composite materials and the constituents are assumed to be elastic perfectly-plastic. Based on the homogenization theory and the static limit theorem, an optimization formulation to directly calculate the macroscopic strength domain of the RVE is obtained. The finite element modeling of the static limit analysis is formulated as a nonlinear mathematical programming and solved by the sequential quadratic programming method, where the temperature parameter method is used to construct the self-stress field. Secondly, Hill＇s yield criterion is adopted to connect the micromechanicai and macromechanical analyses. And the limit loads of composite structures are worked out on the macroscopic scale. Finally, some examples and comparisons are shown.     

顶空气相色谱法测定化妆品中15种挥发性有机溶剂残留

建立了化妆品中15种挥发性有机溶剂残留的顶空气相色谱测定方法。样品经60 ℃、30 min静态顶空后,采用气相色谱-氢火焰离子化检测器进行检测,外标法定量。加标回收试验结果表明: 15种挥发性有机溶剂残留平均回收率为62.8%～116%,相对标准偏差均小于5%。方法的检出限为0.09～0.68 mg/kg。该方法可有效克服基体干扰,一次进样可同时分离和测定化妆品中15种挥发性有机溶剂,准确灵敏,简单快速,适用于化妆品中挥发性有机溶剂残留的检测。     

不连续温度场问题的间断Galerkin方法

针对不连续温度场问题建立了一种间断Galerkin有限元方法,该方法的主要特点是允许插值函数在单元边界上存在跳变.在建立有限元方程时,通过在单元边界上引入数值通量项和稳定性项来处理间断效应,并且数值通量可以直接由接触热阻的定义式导出.数值算例表明该方法可以很方便且准确地捕捉到结构内部由于接触热阻而引起的温度跳变,同时在局部高梯度温度场的模拟方面也比常规连续Galerkin有限元方法效率明显要高.该方法也为研究由接触热阻引起的温度场与应力场之间的耦合问题提供了一种新的数值模拟手段.     

Measurement of the First Hyperpolarizability of Rare Earth Compounds by Hyper-Rayleigh Scattering in Solution

The first hyperpolarizabilities βzzz of a hemicyanine chromophore dye and a new type chromophore, both containing rare earth complex anion, have been measured by Hyper-Rayleigh scattering in solution. The results showed that the nonlinear optical properties of these compounds have been improved by introducing the rare earth complex anion.     

弯管结构塑性极限分析的数值方法及应用

从塑性极限分析数值计算的角度,分析了多组载荷联合作用下弯管结构的塑性极限承载能力。为了克服塑性极限上限分析中目标函数非线性非光滑所导致的数值困难,提出了一种弯管结构塑性极限上限分析的无搜索优化迭代算法;采用一种改进的弯管单元并利用加载路径的径向射求解方案处理多组载荷系统。通过对典型弯管结构进行塑性极限分析得出了一些有价值的结论。     

Tuning Internal Strain in Metal–Organic Frameworks via Vapor Phase Infiltration for CO2 Reduction

A gas-phase approach to form Zn coordination sites on metal–organic frameworks (MOFs) by vapor-phase infiltration (VPI) was developed. Compared to Zn sites synthesized by the solution-phase method, VPI samples revealed approximately 2.8 % internal strain. Faradaic efficiency towards conversion of CO₂ to CO was enhanced by up to a factor of four, and the initial potential was positively shifted by 200–300 mV. Using element-specific X-ray absorption spectroscopy, the local coordination environment of the Zn center was determined to have square-pyramidal geometry with four Zn−N bonds in the equatorial plane and one Zn-OH₂ bond in the axial plane. The fine-tuned internal strain was further supported by monitoring changes in XRD and UV/Visible absorption spectra across a range of infiltration cycles. The ability to use internal strain to increase catalytic activity of MOFs suggests that applying this strategy will enhance intrinsic catalytic capabilities of a variety of porous materials.     

LED光诱导下咪唑并吡啶氰甲基化反应用于本科实验教学的探索

可见光催化的有机反应具有高效、条件温和、操作简单、催化剂用量少等优点,近年来受到广泛关注。以咪唑[1,2-a]吡啶杂环为骨架的化合物表现出丰富多样的生物活性,如抗炎、抗病毒活性、抗原生虫药、细胞周期蛋白依赖性激酶抑制剂等。3-氰甲基-2-苯基咪唑并[1,2-a]吡啶是合成具有抗抑郁作用的药物唑吡坦的关键中间体。我们在前期的研究工作中,以2-苯基咪唑并[1,2-a]吡啶和溴乙腈为原料,通过可见光诱导,在光催化剂fac-Ir(ppy)3的作用下,合成了3-氰甲基-2-苯基咪唑并[1,2-a]吡啶。本文以此反应为基础,通过将可见光催化这一新型的方法运用于本科实验教学,拓宽本科生的视野,增加其对有机化学实验的兴趣,并掌握微量化学实验的基本操作和相关仪器的使用方法。本设计实验使用LED灯作为光源,避免了剧毒试剂的使用,符合绿色化学理念,具备制备方法简单、生产成本低、产物收率高、重复性良好等优点。