微尺度型腔内液态金属流动规律模拟研究

修正了传统的Navier-Stoke方程,并利用修正后的方程与Fluent软件对微尺度型腔内Zn-Al合金微流动规律进行了数值模拟.模拟结果表明：液态金属在微尺度管道内的流动规律在管径为0.5mm时出现临界状态,管径越细,速度附面层相对厚度就越大.同时,微管流动存在着宏观流动中没有的“凸进效应”,且随着入口压力增大,流动前沿自由液面的凸进效应减弱.在流动前沿区域和上游区域之间出现负压力梯度区,且管径越细越明显. 关键词： 微管道 微流动 Zn-Al合金     

宽截止窄带高反射滤光膜设计

窄带高反射滤光膜在光通讯、光学探测仪器等领域有着重要应用.探讨了"基片|H(LH)m1aL(HL)m2βCr,M|空气"膜系结构的窄带高反射滤光膜系,讨论了金属Cr层厚度,以及两种不同的匹配膜系对滤光膜特性的影响,计算了Cr层内部的电场分布.结果表明,较厚的金属层可实现更宽的截止带宽,匹配层的加入有效地实现了宽截止带的深截止,使中心波长处导纳为较大值的匹配膜系可以更好地实现滤光膜宽截止、窄带高反射特性;匹配膜层使中心波长处Cr层内部的电场强度趋于零,有效地降低了整个膜系的吸收,提高了反射率.     

密度泛函理论计算内掺氢分子富勒烯H2@C60及其二聚体的几何结构和电子结构

采用密度泛函理论中的广义梯度近似(generalized gradient approximation, 简称GGA),对内掺氢分子富勒烯H2@C60及其二聚体的几何结构和电子结构进行了计算研究.发现无论是在H2@C60单体,还是在其二聚体中,氢倾向以分子形式存在于碳笼中心处,且在室温下氢分子可以做自由旋转.电子结构分析表明,氢分子掺入到C60和C120中,仅对距离费米能级以下-8eV至-5eV能级处有一定的贡献,其他能级的分布和能隙几乎没有变化.     

Atom waveguide and 1D optical lattice using a two-color evanescent light field around an optical micro/nano-fiber

We propose a two-color scheme of atom waveguides and one-dimensional （1D） optical lattices using evanescent wave fields of different transverse modes around an optical micro/nano-fiber. The atom guide potential can be produced when the optical fiber carries a red-detuned light with TE01 mode and a blue-detuned light with HEll mode, and the 1D optical lattice potential can be produced when the red-detuned light is transformed to the superposition of the TE01 mode and HE11 mode. The two trapping potentials can be transformed to each other for accurately controlling mode transformation for the red-detuned light. This might provide a new approach to realize flexible transition between the guiding and trapping states of atoms.     

二元Lennard-Jones液体的相分离过程及其扩散性质的分子动力学研究

采用分子动力学(MD)模拟方法,研究了二元体系中相分离过程、粒子的扩散系数以及相分离域尺寸大小随温度的变化规律.发现,相分离域随温度的生长过程可以分为两个阶段,分别是温度比较高的快速生长阶段和低温时的稳定生长阶段;相分离体系中系统的扩散激活能不是常数,而是一个随温度变化的函数,并且当温度高于60 K时,满足关系式E(T)=a+bT^c.讨论了组元尺寸的变化对相分离过程的影响.结果表明,随两组元中某一组元 关键词： 相分离 扩散 分子动力学模拟     

m面GaN平面内结构和光学各向异性研究

采用金属有机物化学气相淀积方法在铝酸锂LiAlO₂衬底上外延生长m面GaN薄膜.X射线衍射测量的结果表明所得薄膜具有较理想的m面晶体取向,并对其各向异性的应变进行了计算,摇摆曲线的测量发现样品存在明显的面内结构各向异性.采用偏振光致发光研究材料的面内光学各向异性,发现随着偏振角度的改变,发光峰的峰位和强度均有明显变化,并用对称性破缺导致价带子带劈裂的理论对结果进行了解释. 关键词： m面GaN 结构各向异性 偏振光致发光     

电子束蒸发沉积Ir膜真空紫外反射特性

Ir是一种重要的真空紫外反射材料,在太阳物理、宇宙物理、生命科学、大气物理、同步辐射等方面有着十分重要的应用.对电子束蒸发沉积Ir膜在真空紫外波段的反射特性进行了系统的理论和实验研究.根据吸收材料基底上单层金属膜数学计算模型,对不同基片上各种厚度的Ir膜真空紫外反射率进行了优化计算.根据计算和前期实验结果,采用电子束蒸发方法,在石英、K9玻璃基片上沉积了不同厚度的Ir膜,在入射波长120 nm处获得了近30%正入射反射率,对应的Ir膜厚度为12 nm.过厚或过薄均不利于Ir膜反射率的提高.经退火处理后,Ir膜中张应力有所释放但并未消除,同时晶粒平均尺寸显著增大,反射率下降.     

Low-temperature preparation of F-doped TiO2 film and its photocatalytic activity under solar light

A novel and simple method for preparing F-doped anatase TiO₂ (defined as FTO) film with high photocatalytic activity was developed using titanium-n-butoxide and NH₄F as TiO₂ and fluorine precursors under mild condition, i.e. low temperature (lower than 373 K) and ambient pressure. The prepared samples were characterized by XRD, SEM, X-ray photoelectron spectroscopy (XPS), diffuse reflectance spectrum (DRS), photoluminescence spectrum (PL) and TG-DSC analysis. The photocatalytic activity was evaluated by decomposing X-3B under artificial solar light. The results showed that the crystallinity of TiO₂ was improved by F-doping. F⁻ ions can prevent the grain growth, and the transformation of anatase to rutile phase was also inhibited. The doped fluorine atoms existed in two chemical forms, and the ones incorporated into TiO₂ lattice might take a positive role in photocatalysis. Compared with surface fluorination samples, FTO film exhibited better photocatalytic activity. The high photocatalytic activity of FTO may due to extrinsic absorption through the creation of oxygen vacancies rather than the excitation of the intrinsic absorption band of bulk TiO₂. Furthermore, the FTO can be recycled with little photocatalytic activity depression. Without any further treatment besides rinsing, after 6 recycle utilization, the photocatalytic activity of FTO film was still higher than 79%.     

Influence of different initial distributions on robust cooperation in scale-free networks: A comparative study

We study the evolutionary Prisoner's dilemma game on scale-free networks, focusing on the influence of different initial distributions for cooperators and defectors on the evolution of cooperation. To address this issue, we consider three types of initial distributions for defectors: uniform distribution at random, occupying the most connected nodes, and occupying the lowest-degree nodes, respectively. It is shown that initial configurations for defectors can crucially influence the cooperation level and the evolution speed of cooperation. Interestingly, the situation where defectors initially occupy the lowest-degree vertices can exhibit the most robust cooperation, compared with two other distributions. That is, the cooperation level is least affected by the initial percentage of defectors. Moreover, in this situation, the whole system evolves fastest to the prevalent cooperation. Besides, we obtain the critical values of initial frequency of defectors above which the extinction of cooperators occurs for the respective initial distributions. Our results might be helpful in explaining the maintenance of high cooperation in scale-free networks.     

Low-temperature preparation of anatase titania-coated magnetite

A composite photocatalyst with an anatase titania shell and a magnetite core was prepared in a novel way at low temperature (75 °C at most) by coating photoactive titanium dioxide onto a magnetic Fe₃O₄ core. The photocatalytic activity of the prepared photocatalyst was evaluated by the degradation of model contaminated water of phenol and compared to single-phase titania (either Degussa P25 or prepared titania without magnetic Fe₃O₄). The results showed that the photoactivity was slightly depressed. Then, a remarkable improvement in photoactivity was achieved by modifying the photocatalyst with a SiO₂ layer between the Fe₃O₄ core and TiO₂ shell. The repetitive using of the modified photocatalyst was also investigated, and experimental results illustrated that the photocatalytic-degraded ratio of phenol was still higher than 80% after six cycles.