接枝羧基的有限长碳纳米管电子结构的第一性原理研究

基于局域密度泛函理论，采用第一性原理方法，建立了对(5,5)型和(9,0)型有限长碳纳米管接枝羧基官能团的原子模型，通过计算其电子分布和态密度的变化，讨论羧基官能团对碳纳米管电子结构和电子输运特性的影响. 计算表明，接枝羧基的碳纳米管,其电子结构明显改变，其费米能级上的电子态密度下降；最高占据轨道上的非定域程度减弱,致使电子输运性能呈下降趋势. 关键词： 碳纳米管 密度泛函理论 电子结构     

Synthesis of 2-amino-2,4-anhydro-3-O-(2-tetrahydropyranyl)-psicofuranose: a versatile intermediate for S-type locked nucleosides

2-Amino-2,4-anhydro-psicofuranose derivative was synthesized starting from d-fructose.     

A solar radio moving type IV burst of expanding arches type involving multi-sources

A complex solar radio moving type IV burst was observed on 23 September 1998 with the broadband (1.0–2.0 GHz and 2.6–3.8 GHz) spectrometers with high temporal and spectral resolutions at National Astronomical Observatories of China (NAOC). Comparing to the high spatial resolution data of Siberian Solar Radio Telescope (SSRT), we find that this burst is a rare type of moving type IV burst which is caused by the expanding arches, and the spatial structure oscillations of the radio sources are related with the time structure pulsations of the radio emission. Furthermore, the burst is associated with the multiple quasi-periodic long-term pulsations, and this suggests the existence of multi-scale magnetic structures in a large expanding coronal arch. We think the moving type IV burst is due to the synchrotron emission of the energetic electrons trapped in the expanding arch, and the multiple quasi-periodic pulsations are due to the second harmonic plasma emission.     

在SQUID心磁测量中基于奇异值分解和自适应滤波的噪声消除法

采用矩阵奇异值分解(singular value decomposition, SVD)的方法，对高温射频超导量子干涉仪(HTc rf-SQUID)采集到的单通道心磁信号进行处理.证明了对于近似周期性的心磁信号，在无参考噪声的情况下矩阵奇异值分解的方法与自适应窄带陷波相结合有较好的消除广谱噪声的效果. 关键词： 高温射频超导量子干涉仪 心磁信号 奇异值分解 噪声消除     

A New theory for evaluating the number density of inclusions in films

A new formulation derived from thermal characters of inclusions and host films for estimating laser induced damage threshold has been deduced. This formulation is applicable for dielectric films when they are irradiated by laser beam with pulse width longer than tens picoseconds. This formulation can interpret the relationship between pulse-width and damage threshold energy density of laser pulse obtained experimentally. Using this formulation, we can analyze which kind of inclusion is the most harmful inclusion. Combining it with fractal distribution of inclusions, we have obtained an equation which describes relationship between number density of inclusions and damage probability. Using this equation, according to damage probability and corresponding laser energy density, we can evaluate the number density and distribution in size dimension of the most harmful inclusions.     

THE BLOW-UP PROPERTIES OF SOLUTIONS TO A PARABOLIC SYSTEM WITH LOCALIZED NONLINEAR REACTIONS

1IntroductionThispaperisconcernedwithpositivesolutionOfthesemilinearheatequationswithlocalizedreactionssubjecttoeitherinitialconditions(Cauchyproblem)ortheinitialandboundary-value(DirichletorNeumanntype)conditionswherenisaboundeddomaininRe,icEO.Equations(1.1)canbethoughtofasamodeltodescribesomephysicalphenomena(heatpropagation,chemicalreaction)inwhichthenonlinearreactionsinadynndcalsystemtakesplaceonlyatasinglesite.InthesequelforconvenienceweshallsamplycalltheCauchy,initial-Direchlet,orini…     

Surface modifications of ITO electrodes for polymer light-emitting devices

Surface modifications were performed on the indium tin oxide (ITO) substrates for polymer light-emitting devices, using the different treatment methods including solvent cleaning, hydrochloric acid treatment and oxygen plasma. The influence of modifications on the surface properties of ITO electrodes were investigated by X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), contact angle, and four-point probe. The surface energies of the ITO substrates were also calculated from the measured contact angles. Experimental results demonstrate that the surface properties of the ITO substrates strongly depend on the modification methods, and oxygen plasma more effectively improves the ITO surface properties compared with the other treatments. Furthermore, the polymer light-emitting electrochemical cells (LECs) with the differently treated ITO substrates as device electrodes were fabricated and characterized. It is observed that the surface modifications on ITO electrodes have a certain degree of influence upon the injection current, luminance and efficiency, but hardly upon the turn-on voltages of current injection and light emission which are close to the measured energy gap of electroluminescent polymer. Oxygen plasma treatment on the ITO electrode yields the better performance of the LECs, due to the improvement of interface formation and electrical contact of the ITO electrode with the polymer blend in the LECs.     

On Two Measures of Problem Instance Complexity and their Correlation with the Performance of SeDuMi on Second-Order Cone Problems

We evaluate the practical relevance of two measures of conic convex problem complexity as applied to second-order cone problems solved using the homogeneous self-dual (HSD) embedding model in the software SeDuMi. The first measure we evaluate is Renegar's data-based condition measure C(d), and the second measure is a combined measure of the optimal solution size and the initial infeasibility/optimality residuals denoted by S (where the solution size is measured in a norm that is naturally associated with the HSD model). We constructed a set of 144 second-order cone test problems with widely distributed values of C(d) and S and solved these problems using SeDuMi. For each problem instance in the test set, we also computed estimates of C(d) (using Peña’s method) and computed S directly. Our computational experience indicates that SeDuMi iteration counts and log (C(d)) are fairly highly correlated (sample correlation R = 0.675), whereas SeDuMi iteration counts are not quite as highly correlated with S (R = 0.600). Furthermore, the experimental evidence indicates that the average rate of convergence of SeDuMi iterations is affected by the condition number C(d) of the problem instance, a phenomenon that makes some intuitive sense yet is not directly implied by existing theory.     

Temperature dependence of excitonic luminescence from nanocrystalline ZnO films

The properties of the excitonic luminescence for nanocrystalline ZnO thin films are investigated by using the dependence of excitonic photoluminescence (PL) spectra on temperature. The ZnO thin films are prepared by thermal oxidation of ZnS films prepared by low-pressure metalorganic chemical vapor deposition (LP-MOCVD) technique. The X-ray diffraction (XRD) indicates that ZnO thin films have a polycrystalline hexagonal wurtzite structure with a preferred (0 0 2) orientation. A strong ultraviolet (UV) emission peak at 3.26 eV is observed, while the deep-level emission band is barely observable at room temperature. The strength of the exciton-longitudinal-optical (LO) phonon coupling is deduced from the temperature dependence of the full-width at half-maximum (FWHM) of the fundamental excitonic peak, decrease in exciton-longitudinal-optical (LO) phonon coupling strength is due to the quantum confinement effect.     

凸集的广义Reuleaux三角形

常宽凸集的面积最小者为Reulaux三角形，而非常宽凸集的面积最小者为何呢？它就是本文将给出的广义Reuleaux三角形△R。