半序赋范空间及增算子的不动点定理

在赋范线性空间E中定义了由E上连续性泛函确定的半序,并由半序引出E上的锥,讨论了半序和锥的若干性质,最后证明了几个单调增算子的不动点定理。     

具非负曲率完备非紧曲面的几何性质

本文证明了单连通完备非紧具非负曲率之曲面的任一测地线γ：[0,+∞)→M均趋于∞处这一几何性质,指出了一般的高维流形不具有此性质.本文还证明了单连通完备非紧具非负曲率的曲面的割迹与第一共轭轭迹是一致的;并且讨论了一般高维流形的共轭点与测地线的关系.     

Theoretical IR,Raman and NMR spectra of 1,2- and 1,3-dimethylenecyclobutane

Equilibrium geometries, rotational constants, harmonic vibrational frequencies, infrared intensities, Raman activities, and ¹H and ¹³C NMR spectra were calculated for 1,2-dimethylenecyclobutane and its less stable isomer 1,3-dimethylenecyclobutane by using MP2, DFT (B3PW91), and RHF theoretical methods involving the 6-311++G⁷ basis set.The properties calculated theoretically have been compared with the experimental values. The internal coordinates defined for both isomers were used in the potential energy distribution (PED) analysis. The theoretical vibrational and NMR spectra form the basis to differentiate particular compounds in reaction mixture.     

A Conservative Difference Scheme for Conservative Differential Equation with Periodic Boundary

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半序度量空间中单调映射的不动点定理及混合单调映射的耦合不动点定理

本文在度量空间中引入半序,证明了半序度量空间中单调增加映射的不动点定理及混合单调映射的耦合不动点定理．     

金属纳米锥表面吸附分子分布的数值模拟

在均匀外电场中,将吸附在由过渡金属基底生长的纳米锥颗粒表面的CO分子等效为偶极子,在考虑偶极子与局域电场,偶极子之间色散力及偶极子与锥表面原子之间三种相互作用的情况下,给出各相互作用能的数学模型,并用Monte Carlo方法进行数值模拟,得到纳米锥颗粒表面吸附CO分子的空间分布构型.结果表明,在这些相互作用下,纳米锥表面吸附CO分子产生局部凝聚,且随着纳米锥角的变小,吸附在锥顶部的分子更加密集,导致吸附分子间相互作用更强,为解释纳米结构表面吸附体系的异常红外效应提供依据.     

The Motion Behavior of a Group of Charged Droplets in Liquid-Liquid Electrostatic Spray

The droplet sizes and electrical charges under different applied electrical voltages are experimentally measured for a liquid-liquid electrostatic spray system. Considering droplet size and charge distributions, the two-dimensional motion for a group of charged droplets in a liquid-liquid electrostatic atomization system is simulated. From measured droplet size and charge distributions, the simulation can obtain the velocities and positions in a two-dimensional domain for all simulated droplets at different times. The various forces acting on droplet as well as their effects on droplet velocity and trajectory are analyzed and the liquid-liquid electrostatic atomization characteristics are revealed. In addition, for one-dimensional motion trajectory of larger droplet, the comparison between simulation and experiment is also conducted and a general agreement can be obtained.     

Local field distribution and configuration of CO molecules adsorbed on the nanostructure platinum surface

This paper shows that the local electric field distribution near the nanostructure metallic surface is obtained by solving the Laplace equation, and furthermore, the configuration of CO molecules adsorbed on a Pt nanoparticle surface is obtained by using Monte Carlo simulation. It is found that the uneven local electric field distribution induced by the nanostructure surface can influence the configuration of carbon monoxide (CO) molecules by a force, which drags the adsorbates to the poles of the nanoparticles. This result, together with our results obtained before, may explain the experimental results that the nanostructure metallic surface can lead to abnormal phenomena such as anti-absorption infrared effects.     

T型石墨烯及其衍生物的结构与电子特性

采用基于密度泛函理论的第一原理方法研究了T型石墨烯及其衍生物-n(n=1—5)的结构稳定性和电子结构性质.T型石墨烯是一种拥有四角形环的二维碳材料同素异构体,通过改变连接四角形环的碳链上的碳原子个数n,可以得到一系列的sp-sp~2杂化结构,称其为T型石墨烯衍生物-n.计算结果表明:这些材料的结构稳定性、化学键类型和电子结构性质都依存于n的奇偶性.其中T型石墨烯(n=0)的结构最稳定,并形成一个由8个碳原子构成的大环.声子谱计算的结果表明,n为偶数时的体系具有动力学稳定性,而n为奇数时的体系则是不稳定的.n为偶数时体系四角形环之间的碳链上的化学键呈单、三键交叉排列,体系显示为金属性特征,且随着n的增大,体系的金属性加强.n为奇数时体系四角形环之间的碳链上的化学键则为双键连续排列,体系呈金属性且具有磁性(n=1除外).研究表明该系列材料作为一种新的二维碳材料同素异构体,具有独特的结构和丰富的电子结构特性,很可能在纳米器件中得到广泛应用.     

量子点网点导光板的制备及性能研究

为了实现量子点背光源的白平衡,将红量子点和绿量子点与油墨均匀混合,采用丝网印刷的工艺将混合后的量子点浆料印刷到导光板的下表面,作为导光板的网点,在侧边蓝光LED激发下,使红、绿量子点发光并和蓝光共同复合发光。通过调整优化量子点在混合浆料中的比例和红、绿量子点的配比最终实现白平衡。利用OLYMPUS显微镜、F-4600荧光分光光度计和SRC-200M光谱彩色亮度计对量子点网点导光板表面形貌和光学性能进行了表征和分析。实验结果表明:当量子点在混合浆料中的质量分数为7%并且红量子点和绿量子点满足1∶12时,能够实现白平衡,CIE 1931色坐标为(0.330 8,0.327 1),色温为5 588 K,在100 m A的激发电流下亮度可达4.136×10~3cd/m~2,色域为NTSC的122.4%。