Improved crystal quality of GaN film with the in-plane lattice-matched Ino.17Alo.s3N interlayer grown on sapphire substrate using pulsed metal-organic chemical vapor deposition

We report on an improvement in the crystal quality of GaN film with an Ino.17Alo.83N interlayer grown by pulsed metal-organic chemical vapor deposition, which is in-plane lattice-matched to GaN films. The indium composition of about 17% and the reductions of both screw and edge threading dislocations （TDs） in GaN film with the InA1N interlayer are estimated by high resolution X-ray diffraction. Transmission electron microscopy （TEM） measurements are employed to understand the mechanism of reduction in TD density. Raman and photoluminescence measurements indicate that the InA1N interlayer can improve the crystal quality of GaN film, and verify that there is no additional residual stress induced into the GaN film with InA1N interlayer. Atomic force microscopy measurement shows that the InA1N interlayer brings in a smooth surface morphology of GaN film. All the results show that the insertion of the InA1N interlayer is a convenient method to achieve excellent crystal quality in GaN epitaxy.     

UV filter 2‐ethylhexyl 4‐methoxycinnamate: a structure,energetic and UV–vis spectral analysis based on density functional theory

2‐Ethylhexyl 4‐methoxycinnamate (EHMC) is a very commonly used UVB filter that is known to isomerize from the (E) to the (Z) isomer in the presence of light. In this study, we have performed high level quantum chemical calculations using density functional theory (DFT) with the B3LYP density functional and extended basis sets to study the gas‐phase molecular structure of EHMC and its energetic stability. Calculations were also performed for related smaller molecules cinnamic acid and 4‐methoxycinnamic acid. Charge delocalization has been analyzed using natural charges and Wiberg bond indexes within the natural bond orbital analysis and using nucleus independent chemical shifts. Density functional theory calculations reveal that the (E) isomer of EHMC is more stable than the (Z) by about 20 kJ mol^?1 in both the gas and aqueous phases. The enthalpy of formation in the gas phase of (E)‐EHMC was derived from an isodesmic bond separation reaction. Long‐range corrected DFT calculations in implicit water were made in order to understand the excited state properties of the (E) and (Z) isomers of EHMC. Copyright © 2013 John Wiley & Sons, Ltd.     

A new concept of white light generation using a nano-waveguide for the solar radiation collection use

We propose a novel system of a nano-waveguide that can be used to generate the continuous optical spectrum, i.e. white light. A system consists of two micro-ring resonators and a nano-ring resonator that can be integrated into a single system. The large bandwidth signal is generated using a soliton pulse propagating within a Kerr-type nonlinear medium, whereas the continuous bandwidth or wavelength of light signal can be performed. Results obtained have shown the potential of using such a system for white light source generation and amplification, which is discussed. The amplified pulse can be stored within a nano-waveguide, which is allowed to form the continuous spectrum after amplification. Alternatively, the low-level solar radiation can be amplified, and the bandwidth signals can also be enlarged.     

Spectroscopical splitting of Cu ion energy levels in magnesium lead fluoro silicate glasses

Homogeneous 40.0 MgO-(10-x) PbF₂-50.0 SiO₂: x CuO glasses were prepared using melt-quenching technique under controlled conditions. Spectroscopic studies (UV-vis absorption, ESR, FT-IR) are carried out for these glasses. One broad characteristic visible absorption band is observed around 700-850 nm in these glasses, the optical band gap decreases as the content of the CuO increases in the glass network up to 0.7 mol % then reversal trend is observed. ESR spectra of all these glasses show resonance peaks characteristic of Cu²⁺ ions and hyperfine splitting is resolved with increasing the CuO content in the glass network. From the observed ESR spectra, the spin-Hamiltonian parameters have been evaluated and indicate that Cu²⁺ ions have octahedral coordination with a strong tetragonal distortion in these glasses. By correlating ESR and optical absorption data, the molecular orbital coefficients have been evaluated. FT-IR spectra give important information about the nature of bonds in the glass matrix. The density of the glasses is also measured and is found to decrease with the increase CuO contents in the glass matrix. The physical parameters along with spectroscopic parameters are measured.     

基于RBF神经网络的较低浓度下同步荧光光谱的溢油鉴别

针对海面溢油样品的含量难以确定,同时考虑到海水掺杂及风化等问题的影响,提出了在较低非线性浓度范围内采集溢油嫌疑样品的同步荧光光谱,获取其训练样本集,利用主成分分析法(Principal com-ponent analysis,PCA)提取其特征光谱,结合径向基函数(Radial basis function,RBF)神经网络对肇事样本和嫌疑样本进行模式识别的方法。通过对相近油源原油样品分类识别研究表明:该方法仅需单次对肇事样本同步光谱测量,再借助数据分析,就可以很好区分相近油源溢油样品,外扰对识别率影响也不大。RBF神经网络算法识别率在92%左右。该结论对海洋环境中溢油的实时检测及油指纹数据信息库的建立有重要意义。     

基于小波变换的体内外酒精含量近红外光谱检测与分析

应用小波分析对体外和体内的酒精近红外光谱信号进行去噪分析,通过体外光谱分析确定酒精吸收峰特征范围,为体内近红外光谱分析确定有效区间。软阈值和硬阈值下,分别采用缺省阈值、Birge-Massart阈值和最大最小值阈值,比较酒精光谱去噪,信噪比(signal noise ratio,SNR)和均方根误差(root mean square error,RMSE)去噪效果。结果表明:缺省硬阈值方法对酒精近红外光谱去噪的效果较好;小波变换可以有效去除酒精近红外光谱的噪声,提高信噪比,保留有用真实信号。在不同的酒精浓度下,去噪后的近红外光谱能够较好的显示浓度变化规律。小波分析在近红外光谱法对人体酒精无创检测及定量分析方面有较好的应用前景。     

空心阴极放电沉积氮化碳薄膜的结构和成键性质

利用空心阴极放电等离子体源在Si(100)衬底上沉积了氮化碳薄膜.用XRD,SEM,XPS及拉曼和红外吸收光谱对薄膜的结构、成分和化学键等进行了研究.XRD分析表明,制备的氮化碳薄膜为非晶结构.XPS分析证实了薄膜中以C—C,sp2CN和sp3CN键为主,并得出薄膜中的氮碳比为0.71,而sp3—CN相的含量也达到了0.39.拉曼和红外吸收光谱的结果也与XPS分析的键态结果一致.     

二维椭圆量子台球中的谱分析

研究了二维椭圆台球中的量子谱和经典轨道之间的对应关系.为尝试求解没有解析波函数和本征能量又不能分离变量的体系，采用了定态展开方法(expansion method for stationary states，简称EMSS)得到尽可能精确的数值解，这是闭合轨道理论被推广到计算开轨道的情况.比较了傅里叶变换谱和经典轨道，发现量子谱的峰位置与经典轨道的长度在可分辨的范围内符合得很好，这是半经典理论为经典与量子力学的联系提供桥梁作用的又一个例子. 关键词： 椭圆量子台球 定态展开方法 闭合轨道理论 量子谱     

不同驱动力下瓦斯水合物生长过程Raman光谱特征

基于煤矿瓦斯(CH₄∶C₂H₆∶N₂=67.5∶22.5∶10)水合物相平衡曲线开展四种驱动力ΔP水合动力学实验,利用可见显微Raman光谱仪获取水合物生长过程光谱图,根据水合物相中C₂H₆ C-C键伸缩振动特征峰Raman位移确定了4组实验中水合物为sⅡ结构。基于van der Waals与Platteeuw模型获取瓦斯水合物生成过程中水合物相气体组分及水合指数变化规律。研究表明： 驱动力的大小影响水合物的稳定性,随着驱动力的增加,CH₄相比C₂H₆逐渐占据更多的孔穴结构,CH₄在水合物相内比例增加,水合物稳定性越强;瓦斯中N₂,CH₄和C₂H₆进入水合物孔穴优先级可以通过分子与水合物孔穴的直径比进行确定,分析认为在sⅡ水合物结构中小孔穴CH₄优先级最高,大孔穴C₂H₆最高;基于瓦斯水合物稳定性,对水合物生长过程客体分子的物质传递规律进行描述,为瓦斯水合物的微观生长提供理论基础。     

使用多光谱手段研究熔石英断裂机理

熔石英玻璃是高能激光系统中不可缺少的光学材料,其损伤问题一直是限制系统能量提升的瓶颈之一。通过纳秒激光脉冲诱导熔石英玻璃样品产生断裂,并使用多光谱手段对断裂前后样品进行检测,从而在实验和理论上了解了样品断裂形貌及内部相变结构成因,并从宏观到微观上统一解释了断裂形貌和相变结构的关系。在激光等离子冲击波作用下,熔石英发生断裂,且冲击波作用过程中在玻璃内部产生了推动裂纹扩展的尖端环向应力。在尖端环向应力作用下,不同损伤区域形成了不同扩展速度和长度的裂纹, 按照裂纹形貌特性差异可以将断裂区分为雾化区、羽毛区、镜面区三个部分。使用透射光谱、能量散射光谱检测损伤前后样品,发现裂纹的产生引起了玻璃透过率和带隙的下降,且断裂区出现氧原子游离或缺失;使用Raman光谱检测样品损伤前后不同形貌区,发现等离子冲击波使熔石英中Si-O-Si键断裂并发生重组,导致镜面区、羽毛区、雾化区三元拓扑环和四元拓扑环宏观上对应的斯石英相和柯石英相的相对含量依次升高,破坏了材料的固有原子结构特性,使材料断裂区向高密度相转变。氧游离的发生会在玻璃内部产生的大量缺陷,从而使得玻璃透过率及带隙下降,严重影响了玻璃的性能。