方阱链流体在固液界面分布的密度泛函理论研究

应用Yethiraj的加权密度近似泛函理论研究平板狭缝中方阱链流体的密度分布，系统的Helm holtz自由能泛函分为理想气体的贡献利剩余贡献两部分，其中剩余贡献部分分别采用刘洪 来等人建立的基于空穴相关函数的方阱链流体状态方程和Gil-Villegas等人提出的统计缔合 流体理论状态方程(SAFT-VR)结合简单加权密度近似计算.考察了不同链长、温度、系统密度 和壁面吸引强度下平板狭缝中方阱链流体的密度分布，并与Monte Carlo(MC)模拟结果进行 了比较.结果表明采用不同的状态方程对密度分布的计算有明显的影响，对于受限于硬壁狭 缝中的方阱链流体，温度和密度比较高时，两种状态方程计算的结果均与MC模拟符合得比较 好，在低温和低密度下效果变差，SAFT-VR方程的计算结果更接近于MC模拟结果.对于受限于 方阱壁狭缝中的方阱链流体，由于系统密度分布的非均匀性加强，采用两种状态方程计算的 结果均与MC模拟结果有一定偏差，寻找更合适的权重函数是进一步改进的关键. 关键词： 密度泛函理论 非均匀流体 密度分布 固液界面 方阱链     

The effects of sapphire nitridation on GaN growth by metalorganic chemical vapour deposition

In situ optical reflectivity measurements are employed to monitor the GaN epilayer growth process above a low-temperature GaN buffer layer on a c-plane sapphire substrate by metalorganic chemical vapour deposition. It is found that the lateral growth of the GaN islands and their coalescence are promoted in the initial growth stage if optimized nitridation time and temperature are selected when the substrate is pre-exposed to ammonia. As confirmed by atomic force microscopy observations, the quality of the GaN epilayers is closely dependent on the surface morphology of the nitridated buffer layer, especially grain size and nucleation density.     

二氟甲烷分子3a1和2b2轨道的电子动量谱

借助电子动量谱学结合量子化学理论和其他方法可以给出轨道电子在整个空间的分布信息,由此给出电子运动的完备描述[1,2 ] .清华大学电子动量谱学实验室近几年已成功地对甲烷[3] 、异丁烷[4 ] 、环戊烷[5] 、二乙酰等[6 ] 分子的轨道电子动量分布进行了测量.我们利用第二代电子动量谱仪首次对CH2 F2 分子3a1和2b2 轨道的电子动量谱进行测量,并与理论计算结果作了比较.同时还计算了坐标空间和动量空间中电子在x - y平面的密度分布.电子动量谱学最基本的过程是(e ,2e)反应,即电子与靶粒子碰撞而发生的电离过程.而对于(e ,2e)反应,含有大量信…     

Self-Mixing Interference in Dual-Polarization Microchip Nd：YAG Lasers

The self-mixing interference in dual-polarization microchip Nd: YA G lasers is demonstrated. Under optical feedback, the orthogonal polarization components of the laser would undergo antiphase intensity modulations; at high feedback level, the polarization switching appears. We also observe that the laser self-mixing sensitivity changes periodically with the frequency difference of orthogonal polarizations. An initial theoretical model is put out and agrees well with the experiments. The results are useful for self-mixing sensitivity enhancement and offer a new way of absolute distance measurement.     

双频氦氖激光回馈位移测量系统的实验与应用研究

研究了一种全新的纳米尺度位移测量系统。将双折射元件插入He-Ne激光器谐振腔内产生频率分裂效应，使原本单模谐振的激光器输出变成了频差可调的2个正交偏振频率（o光和e光），而形成双频激光器。在激光谐振腔外放置沿激光轴线位移的反射表面，将输出的激光束反射回腔内，以便对激光的光强进行调制，可实现高分辨率非接触式可判向位移测量。提出了一种细分方法，该方法突破了传统干涉系统的衍射极限（1/2波长）。对于633nm波长He-Ne激光，本系统的理想分辨率为1/8波长（约为79nm）。     

Influence of AlN buffer layer thickness on structural properties of GaN epilayer grown on Si (111) substrate with AlGaN interlayer

We present the growth of GaN epilayer on Si (111) substrate with a single AlGaN interlayer sandwiched between the GaN epilayer and AlN buffer layer by using the metalorganic chemical vapour deposition. The influence of the AlN buffer layer thickness on structural properties of the GaN epilayer has been investigated by scanning electron microscopy, atomic force microscopy, optical microscopy and high-resolution x-ray diffraction. It is found that an AlN buffer layer with the appropriate thickness plays an important role in increasing compressive strain and improving crystal quality during the growth of AlGaN interlayer, which can introduce a more compressive strain into the subsequent grown GaN layer, and reduce the crack density and threading dislocation density in GaN film.     

ICP-AES测定土壤中钡、铬和锰含量的不确定度评定

电感耦合等离子体-原子发射光谱法(ICP-AES)测定土壤中钡、铬和锰含量的不确定度主要来源于样品称量、样品消解液定容体积和测定样品消解液中各元素的浓度,对这些分量进行了量化计算。土壤中钡、铬和锰的质量分数可分别表示为218.5±17.1,342.5±40.4,1468.9±47.1mg/kg。影响各元素含量测量不确定度的主要因素是测量样品消解液中各元素的浓度引起的不确定度。     

Orthogonally Linearly Polarized Dual Frequency Nd：YAG Lasers with Tunable Frequency Difference and Its Application in Precision Angle Measurement

The orthogonally linearly polarized dual frequency Nd： YA G lasers with two quarter wave plates in laser resonator are proposed. The intra-cavity variable birefringence, which is caused by relative rotation of these two wave plates in laser inner cavity, results in the frequency difference of the dual frequency laser also changeable. The theory model based on the Jones matrix is presented, as well as experimental results. The potential application of this phenomenon in precision roll-angle measurement is also discussed.     

Microstructure and strain films using in-plane grazing analysis of GaN epitaxial incidence x-ray diffraction

This paper investigates the major structural parameters, such as crystal quality and strain state of （001）-oriented GaN thin films grown on sapphire substrates by metalorganic chemical vapour deposition, using an in-plane grazing incidence x-ray diffraction technique. The results are analysed and compared with a complementary out-of-plane x- ray diffraction technique. The twist of the GaN mosaic structure is determined through the direct grazing incidence t of （100） reflection which agrees well with the result obtained by extrapolation method. The method for directly determining the in-plane lattice parameters of the GaN layers is also presented. Combined with the biaxial strain model, it derives the lattice parameters corresponding to fully relaxed GaN films. The GaN epilayers show an increasing residual compressive stress with increasing layer thickness when the two dimensional growth stage is established, reaching to a maximum level of-0.89 GPa.     

半外腔Nd:YAG和Nd:YVO4微片固体激光器的腔调谐特性研究

微片固体激光器具有体积小、寿命长等优点,是精密测量仪器的重要光源。构建了平-平、半外腔的Nd:YAG和Nd:YVO₄微片激光器,通过控制压电陶瓷伸缩改变激光器的谐振腔长,同时使用F-P扫描干涉仪和波长计观察纵模和波长。研究了这2种微片固体激光器的腔调谐特性,包括腔长与光功率的关系,激光纵模扫过出光带宽过程的光功率和单、双纵模变化的规律。实验结果表明：腔调谐过程中单、双纵模交替出现,腔长和泵浦电流共同影响激光器的输出模式和光功率。