金属多孔材料吸声板的优化模型

金属纤维多孔材料与一般纤维材料相比具有较高比强度的优点,其声学性质已引起人们的注意。本文试图从直通孔介质的吸声模型拓展到一般的刚性多孔介质,讨论金属多孔吸声板在液体介质中吸声的主要无量纲控制参数,从而建立一个基本的吸声优化模型。计算表明,通过适当选取参数,可以比较清楚地了解在特定频率范围内和不超过特定厚度的条件下吸声结构是否可以达到特定的吸声指标,也由此提供一个利用无量纲参数设计水下低频薄层吸声结构的模型。     

Enhanced luminescence of GdTaO4:Eu thin-film phosphors by K doping

The effect of K⁺ ions on GdTaO₄:Eu³⁺ thin-film phosphors was investigated in order to improve their luminescent properties. The GdTaO₄:Eu_0.1, K_x thin films were synthesized by sol-gel process, and characterized through measuring their microstructure and luminescence. The results indicated that photoluminescence (PL) intensity of GdTaO₄:Eu³⁺ film was improved remarkably by K doping. There were two maxima in the curve of PL intensity against K⁺ dopant concentration, where one was improved up to 2.1 times at x = 0.001 and the other was enhanced up to 2.7 times at x = 0.05. The first maximum was regarded as the alteration of the local environment surrounding the Eu³⁺ activator by incorporation of K⁺ ions, and the second maximum was due to the flux effect. Additionally, the luminescence increased with the increase of firing temperature from 800 °C to 1200 °C.     

基于多孔介质理论的混凝土徐变力学行为的有限元分析

水分是影响混凝土徐变的最重要因素之一,但通常为了计算的简便往往忽略了水分的影响,造成计算结果有很大的误差.文章根据混合物理论结合罚参数法、Galerkin加权残值法以及徐变应力分析的隐式解法,推导得到了混凝土徐变两相多孔介质模型.建立了有限元计算模型,给出了求解算法并编制了有限元程序.计算和试验比较分析表明,该理论和计算方法得到的结果遵循徐变相关性质,说明了该理论和计算模型的合理性.最后,指出了模型中存在的不足以及进一步的研究方向.     

Preface

<正>These two special issues of Acta Mathematica Scientia are dedicated to ProfessorJames Glimm on the occasion of his seventy-fifth birthday.     

Influences of flexible defect on the interplay of supercoiling and knotting of circular DNA

Knots are discovered in biophysical systems, such as DNA and proteins. Knotted portions in knotted DNA are significantly bent and their corresponding bending angles are comparable with or larger than the sharp bending angle resulting in flexible defects. The role of flexible defects in the interplay of supercoiling and knotting of circular DNA were predicted by a Monte Carlo simulation. In knotted DNA with a particular knot type, a flexible defect noticeably enhances the supercoiling of the knotted DNA and the decreasing excitation energy makes the knotted portion more compact. A reduction in twist rigidity and unwinding of flexible defects are incorporated into the numerical simulations, so that interplay of supercoiling and knotting of circular DNA is studied under torsional conditions. Increasing unwinding not only results in a wider linking number distribution, but also leads to a drift of the distribution to lower values. A flexible defect has obvious effects on knotting probability. The summation of equilibrium distribution probability for nontrivial knotted DNA with different contour length does not change with excitation energy monotonically and has a maximum at an intermediate value of excitation energy around 5 kBT. In the phase space of knot length and gyration radius of knotted DNA, knot length does not anticorrelate with its gyration radius, which is attributed to the flexible defect in the knotted portion, which leads to the release of bending energy and inhibited the competition between entropy and bending energy.     

部分相干光云纹干涉法测三维位移场

本文提出了一种用部分相干光可同时获得面内位移和离面位移场的云纹干涉法。该法具有装置简单,无需防震,可用于观场测量等特点。文中论述了此法的基本原理,应用波前干涉理论和付里叶光学理论对变形前后波前的干涉、记录和再观进行了分析,导出了计算公式。实现了透射物体和反射物体表面的面内位移分量(U_0,V_(45),U_(90))和离面位移(w)的全场同时测量,典型实验证明,实验值与计算结果符合较好。     

Excited State Intramolecular Proton Transfer of New Diphenylethylene Derivatives Bearing Imino Group: A Combination of Experimental and Theoretical Investigation

In this paper, we described the synthesis and characterization of new diphenylethylene bearing imino group. We concentrated particularly on the investigation of the possibility of the excited state intramolecular charge transfer (ESIPT) of the new dyes experimentally and theoretically. The absorption and fluorescence spectroscopy of the dyes were determined in various solvents. The results showed that the maximal absorption wavelength of 2‐[(4′‐N,N‐dimethylamino‐diphenylethylene‐4‐ylimino)methyl]phenol ( C1 ) and 4‐[(4′‐N,N‐dimethylamino‐diphenylethylene‐4‐ylimino)methyl]phenol ( C2 ) exhibited almost independence on the solvent polarity. While as contrast, the maximal fluorescence wavelength of the dyes showed somewhat dependence on the solvent polarity. In particular, C1 displayed well‐separated dual fluorescence spectroscopy. The second fluorescence peak was characterized with an "abnormal" fluorescence emission wavelength in aprotic solvents with large Stokes shift (ca. 140 nm in THF), which was much more than normal Stokes shift (ca. 30 nm in THF). This emission spectroscopy could be assigned to ESIPT emission. On the other hand, the ESIPT fluorescence of C1 was much reduced or lost in the protic solvents. While, only normal fluorescence emission was detected in various solvents. Although the absorption maxima of C1 exhibited about 10 nm red‐shift with respect to those of C2 , the normal fluorescence maxima of C1 and C2 were almost identical in various solvents. These results suggested that C1 could undergo ESIPT, but C2 was not able to proceed ESIPT. The molecular geometry optimization of phototautomers in the ground electronic state (S₀) was carried out with HF method (Hartree‐Fock) and at DFT level (Density Functional Theory) using B3LYP both, while the CIS was employed to optimize the geometries of the first singlet excited state (S₁) of the phototautomers of C1 and C2 respectively. The properties of the ground state and the excited state of the phototautomers of C1 and C2 , including the geometrical parameter, the energy, the frontier orbits, the Mulliken charge and the dipole moment change were performed and compared completely. The data were analyzed further based on our experimental results. Furthermore, the absorption and fluorescence spectra were calculated in theory and compared with the measured ones. The rate constant of internal proton transfer (9.831×10¹¹ s^?1) of C1 was much lower than that of salicylidene methylamine ( C3 , 2.045×10¹⁵ s^?1), which was a typical Schiff base compound and was well demonstrated to undergo ESIPT easily under photoexcitation.     

Biodegradation-induced surface change of polymer microspheres and its influence on cell growth

Biodegradable microspheres were fabricated by poly(?-caprolactone) (PCL) homopolymer and poly(?-caprolactone-b-ethylene oxide) (PCL-b-PEO) amphiphilic block copolymer. The regulation of microsphere surface morphology was successfully achieved by controlled enzymatic degradation. The morphological changes induced by biodegradation and their influences on the growth of MG-63 human osteosarcoma cells were studied. Results based on the evaluation of cytotoxicity and the morphological observation of MG-63 cells cultivated on microspheres showed better growth of cells on the surface of degraded microspheres than on the surface of those undegraded microspheres no matter they were fabricated by homopolymers or copolymers. The influences of morphological changes of microsphere surface before and after biodegradation on MG-63 cell growth were discussed. The results of this work indicated that the biodegradation-induced morphological changes of microspheres could be well controlled and were favorable for MG-63 cell attachment and proliferation.     

DFT and TD-DFT studies on symmetrical squaraine dyes for nanocrystalline solar cells

Abstract  

The ground-state geometries, electronic structures, and electronic absorption spectra of symmetrical squaraine dyes SQ1–SQ4 were investigated using density functional theory and time-dependent DFT at the B3LYP level. The calculated geometries indicate that strong conjugation effects occur in the dyes. The highest occupied molecular orbital energy levels were calculated to be −4.95, −5.22, −5.09, and −5.06 eV, and the lowest unoccupied molecular orbital energies were −2.72, −3.05, −2.80, and −2.80 eV for SQ1–SQ4, respectively. Taking the conduction band energy of TiO₂ into account, these data reveal the sensitized mechanism: the interfacial electron transfer between the semiconductor TiO₂ electrode and the dye sensitizers SQ1–SQ4 are electron-injection processes from excited dyes to the semiconductor conduction band. The intense calculated absorption bands are assigned to π → π* transitions, which exhibit appreciable blue-shift compared with the experimental absorption maxima due to the inherent approximations in the TD-DFT.     

Hydrophilic modification of poly(vinylidene fluoride) (PVDF) by in situ polymerization of methyl methacrylate (MMA) monomer

The hydrophilicity of poly(vinylidene fluoride) (PVDF) was first improved by in situ polymerization of polar monomer in PVDF solution. Methyl methacrylate was adopted as the reaction monomer, and the polymerization occurred in a solution of PVDF in N,N-dimethylformamide. PVDF/poly(methyl methacrylate) (PMMA) blend was obtained after in situ polymerization. The relative hydrophilicity of the in situ blend was characterized by contact angle measurement. At the same time, the hydrophilicity of the PVDF/PMMA blends prepared by solution blending was compared with that of the in situ blend. The contact angle measurements indicated that in situ polymerization has a stronger modifying effect on the hydrophilicity of PVDF than solution blending.