富勒烯C20四聚体的结构与性能研究

采用密度泛函理论(DFT)中的杂化密度泛函(B3LYP)方法, 在6-31 G基组水平上对C₂₀四聚体进行了几何参数全优化, 得到了基态构型, 并对其稳定性、电子结构、极化率和芳香性进行了计算研究. 结果表明: C₂₀碳笼以[2+2]加成方式结合形成C₂₀四聚体, 具有良好的热力学稳定性; C原子内部以sp²的方式杂化, C原子之间有少量电荷转移; C₂₀ 四聚体的IR和Raman光谱都有较多的振动峰; 随碳笼数的增加, C₂₀聚合物中原子间的成键相互作用随之增强; C₂₀四聚体具有芳香性.     

Electrical conductivity,optical properties and mechanical stability of 3, 4, 9, 10-perylenetetracarboxylic dianhidride based organic semiconductor

The 3, 4, 9, 10-perylenetetracarboxylic dianhydride (PTCDA) doped polymer films were prepared with Polypyrrole (PPy) and Polyvinyl alcohol (PVA) polymers by solution-casting. The change in structure and chemical composition of samples was identified by XRD and FTIR respectively. The UV–visible spectroscopy demonstrates the optical characteristics and band gap properties of sample. The homogeneous morphology of sample for higher wt% of PTCDA was examined by atomic force microscopy (AFM). The differential scanning calorimetry (DSC) results demonstrate the decrease in melting temperature (T_m) and degree of crystallinity (χ_c%) of polymeric organic semiconductor. The mechanical property demonstrates the high tensile strength and improved plasticity nature. Impedance spectroscopy was evaluated to determine the conductivity response of polymeric organic semiconductor. The highest DC conductivity (2.08×10⁻³ S/m) was obtained for 10 wt% of PTCDA at 140 °C. The decrease in activation energy (E_a) represents the non-Debye process and was evaluated from the slope of ln σ_dc vs. 10³/T plot.     

Cooling-down of thermal thick probes after flash excitation – A measure for the real energy density?

Though flash lamps are one of the most applied heat sources in the field of Thermographic Testing (TT) using active thermography, only little is known about the actually achieved energy input into test objects. In this paper, an easy to realize sensor concept is proposed and experimentally evaluated. The concept is based on the measurement of the surface temperature of a thermal thick probe after flash excitation. After considering the sensor concept with FEM simulations the experimental investigation of four materials (two polymer and two building materials) is described. It will be shown that a suited coating is essential for the realization of the sensor concept. The experimental results prove the suitability of black rigid PVC as the most promising material. Using a coated PVC sample the energy density of short laser pulses, similar to flashes of flash lamps, could be determined exactly with an estimated relative uncertainty of only a few percent.     

Fast-scan chip-calorimeter measurement on the melting behaviors of melt-crystallized syndiotactic polystyrene

We employed fast-scan chip-calorimeter (FSC) measurement (Flash DSC1) to study the melting of syndiotactic polystyrene after melt-crystallized at various cooling rates as well as after isothermally crystallized at various high temperatures. We attributed the observed double melting peak to a melting-recrystallization process of beta-form crystals upon heating, as evidenced by their variations with different cooling and heating rates. Our experiments demonstrated the advantages of FSC techniques in the investigation of crystallization and melting behaviors of polymer materials.     

Synthesis,structure and dielectric properties of a novel Gd coordination polymer based on 2-（ pyridin-4-yl ）- 1H-i midazole-4,B -dicarboxylate

A new Gd coordination polymer based on 2-（pyridin-4-yl）-I H-imidazole-4,5-dicarboxylate （H3PIDC） has been synthesized under hydrothermal conditions, formulated as {[Gd3（HPIDC）3（PIDC）（H2O）4].3H2O}n （1）. The compound crystallizes in the monoclinic system, space group C2/c with a=20.951（7）, b = 9.515（3）, c = 27.483（10） A,β= 106.176（6）°, Z = 4, V= 5262（3） A3, C40 H45 Gd3 N12 O30, Dc = 2.071 g/cm3, Mr=1645.63, λ （MoKa）=0.71073A, μ=3.846mm-1, F（000）=3204, the final R=0.0390 and wR= 0.1332. Complex 1 is a two-dimensional MOF built up from T-shaped 3-connected HPIDC2 , PIDC3 and 4-connected metal nodes. Dielectric constant of complex 1 was measured at different frequencies with temperature variation.     

向量优化问题有效解的稳定性

运用标量化的方法,通过锥正定真有效解的上半连续性讨论了无限维赋范空间中锥有效解的部分上半连续性,证明了锥有效解的通有稳定性.在此基础上,进一步证明,在Baire纲的意义下,绝大多数的向量优化问题至少存在一个锥正定真有效解是本质的有效解,换句话说,绝大多数的向量优化问题锥有效解是几乎下半连续的.     

Effect of bottom topography on the unsteady behaviour of an elastic plate floating on shallow water

The unsteady behaviour of a thin elastic plate in the form of a strip of constant width and infinite length, floating on the surface of an ideal and incompressible liquid, is investigated within the limits of the linear shallow-water theory. The unsteady behaviour of the plate is caused by initial disturbances or an external load. The depth of the liquid under the plate is variable. It is assumed that all the flow characteristics are independent of the coordinate along the plate. The deflection of the plate is sought in the form of an expansion in eigenfunctions of the oscillations in a vacuum with time-varying amplitudes. The problem reduces to solving an infinite system of ordinary differential equations for the unknown amplitudes. The behaviour of the plate is investigated for different actions and shapes of bottom irregularities. It is shown that the bottom topography can have a considerable effect on the deformation of the plate.     

Fluid–structure interaction between a two-dimensional mat-type VLFS and solitary waves by the Green–Naghdi theory

The two-dimensional, nonlinear hydroelasticity of a mat-type very large floating structure (VLFS) is studied within the scope of linear beam theory for the structure and the nonlinear, Level I Green–Naghdi (GN) theory for the fluid. The beam equation and the GN equations are coupled through the kinematic and dynamic boundary conditions to obtain a new set of modified GN equations. These equations represent long-wave motion beneath an elastic plate. A set of jump conditions that are necessary for the continuity (or the matching) of the solutions in the open water region and that under the structure is derived through the use of the postulated conservation laws of mass, momentum, and mechanical energy. The resulting governing equations, subjected to the boundary and jump conditions, are solved by the finite-difference method in the time domain. The present model is applicable, for example, to the study of the hydroelastic response of a mat-type VLFS under the action of a solitary wave, or a frontal tsunami wave. Good agreement is observed between the model results and other published theoretical and numerical predictions, as well as experimental data. The results show that consideration of nonlinearity is important for accurate predictions of the bending moment of the floating elastic plate. It is found that the rigidity of the structure greatly affects the bending moment and displacement of the structure in this nonlinear theory.     

Experimental study of bubble dynamics in the neighbourhood of a vertical incomplete boundary

The bubbles have been widely used in biomedical field, military and chemical industry. The liquid jet generated by the bubble collapse through an orifice is utilized in needle-free injections and inkjet printing. In this paper we devised synchronized triggering equipment, experimentally investigated the mechanism in the interaction of an electric-spark generated a single bubble and a vertical wall with an air-back opening. Detailed observations were recorded and described for bubble oscillation, migration, jetting, as well as the high-speed water spike penetrating through the opening. The results revealed that there was a critical value of the bubble-wall distance, below which the bubble was directed away from the incomplete boundary, while the bubble may tear from the middle for larger distance. As the distance varied, we studied the volume of the water that rushed through the opening, the velocity at the tip of the water spike, and the center of the bubble as well as the migration of the bubble boundary. This work reveals that the high-speed water spike caused by the bubble may be a potential threat to the structures, specifically for cases with a small opening size and short bubble-boundary distance.