木糖醇和D-木糖的太赫兹光谱检测与分析

甜味剂是一种非常重要的食品添加剂,在食品工业中的应用十分广泛,甜味剂的鉴别和检测是一个非常重要的研究课题。太赫兹电磁辐射具有许多独特的性质,太赫兹时域光谱(THz-TDS)技术已发展成为一种重要的无损检测方法。文章利用太赫兹时域光谱技术,对木糖醇和D-木糖进行了光谱测量,结果表明在0.3～2.6THz波段内,木糖醇在1.62,1.87和2.51THz三个频率位置处出现吸收峰,而D-木糖的吸收峰位于1.67,1.96和2.46THz。应用密度泛函理论,对两种样品的单分子结构进行几何优化和频率计算,并据此对实验测量的吸收峰进行了指认,说明部分吸收峰源于单分子的振动模式,另一部分源于分子间相互作用的振动模式。     

离子液体[bmim][BF4]对联苯甲酰光化学反应影响的瞬态吸收光谱

利用纳秒级激光光解瞬态吸收光谱研究了联苯甲酰(BZ)在离子液体1-丁基-3-甲基咪唑四氟硼酸盐([bmim][BF₄])与乙腈(MeCN)混合体系中的光化学反应行为. 考察了探针分子BZ存在下[bmim][BF₄]/MeCN比例对体系中化学反应动力学的影响. 实验发现: 在N₂饱和条件下, BZ溶液经激光辐照后产生的激发三线态³BZ^*遵循一级反应动力学规律衰减. 离子液体(IL)相对比例增加对³BZ^*瞬态吸收峰的位置和强度没有产生明显影响. 但离子液体体积分数V_IL的变化对[bmim][BF₄]/MeCN混合溶剂中光诱导电子转移的影响却非常显著, 总体上电子转移产生的自由基的表观生成速率常数k_gr随[bmim][BF₄]的V_IL增大而减小. 在[bmim]BF₄]比例足够大的情况下, ³BZ^*与三乙胺或四甲基对苯二胺之间的电子转移被抑制.     

The discontinuous Petrov-Galerkin method for one-dimensional compressible Euler equations in the Lagrangian coordinate

In this paper, a Petrov-Galerkin scheme named the Runge-Kutta control volume (RKCV) discontinuous finite element method is constructed to solve the one-dimensional compressible Euler equations in the Lagrangian coordinate. Its advantages include preservation of the local conservation and a high resolution. Compared with the Runge-Kutta discontinuous Galerkin (RKDG) method, the RKCV method is easier to implement. Moreover, the advantages of the RKCV and the Lagrangian methods are combined in the new method. Several numerical examples are given to illustrate the accuracy and the reliability of the algorithm.     

幅值和相位配准技术及其在光学相干层析血流成像中的应用

频域光学相干层析系统中扫描机构定位精度、 机械抖动及样品移动会造成A扫描信号幅值和相位发生波动, 影响生物组织成像质量. 利用最小灰度差匹配、Lorentzian曲线极值拟合和谱域光程差补偿等方法对A 扫描信号进行幅值配准. 通过对A扫描信号相位分布特征的匹配实现相位差检测与配准. 通过求已配准的A 扫描复信号之差, 消除静态组织对血流成像的影响. 进行了人眼扫描实验, 有效提取了视网膜三维血流图像. 实验结果表明, 提出的幅值及相位配准方法大大减小了系统扫描精度、人眼跳动等因素对生物组织在体成像质量的影响. 快速、精确的相位配准方法也可广泛应用在多普勒OCT、相位显微等与相位分辨有关的光学成像领域. 关键词： 频域光学相干层析 配准 血流成像 相位分布特征     

Ab initio studies on the mechanic and magnetic properties of PdHx

Based on ab initio total energy calculations,the structural,electronic,mechanic,and magnetic properties of PdH x are investigated.It is found that bulk modulus of PdH x is larger than the metal Pd with the hydrogen storage except Pd 4 H 2.The calculated results for the magnetic moments show that the hydrogen addition weakens the magnetic properties of the PdH x systems.A strong magneto-volume effect is found in PdH x structures as well as Pd.The transition from paramagnetism to ferromagnetism is discussed.The corresponding densities of states for both structures are also shown to understand the magnetic behaviour.     

吡啶离子液体[BPy][BF4]与乙腈混合体系中杜醌的光化学反应动力学

用激光闪光光解方法研究了杜醌(DQ)在吡啶型离子液体N-丁基吡啶四氟硼酸盐([BPy][BF₄])与乙腈(MeCN)组成的共混溶剂中的光化学反应机理与动力学. 实验结果表明, 离子液体[BPy][BF₄]对混合体系中杜醌激发三线态(³DQ^*)的瞬态吸收峰位置和吸光度大小都没有产生明显影响. 在N₂饱和条件下, 无论是在乙腈溶液中还是在[BPy][BF₄]/MeCN混合溶液中³DQ^*的衰减都遵循一级反应动力学规律. 而[BPy][BF₄]的存在对³DQ^*与三乙胺(TEA)之间的电子转移影响显著. 随着[BPy][BF₄]/MeCN 体系中离子液体比例的增加, 杜醌三线态³DQ^*与TEA间的瞬态反应机理没有改变, 但它们之间的光诱导电子转移反应速率和生成自由基的量子产额逐渐降低, 通过改变离子液体的比例可以调节该体系中光诱导电子转移反应的速率和效率.     

A RKDG finite element method for the one-dimensional inviscid compressible gas dynamics equations in Lagrangian coordinate

In this paper, Runge-Kutta Discontinuous Galerkin (RKDG) finite element method is presented to solve the one-dimensional inviscid compressible gas dynamic equations in Lagrangian coordinate. The equations are discretized by the DG method in space and the temporal discretization is accomplished by the total variation diminishing Runge-Kutta method. A limiter based on the characteristic field decomposition is applied to maintain stability and non-oscillatory property of the RKDG method. For multi-medium fluid simulation, the two cells adjacent to the interface are treated differently from other cells. At first, a linear Riemann solver is applied to calculate the numerical flux at the interface. Numerical examples show that there is some oscillation in the vicinity of the interface. Then a nonlinear Riemann solver based on the characteristic formulation of the equation and the discontinuity relations is adopted to calculate the numerical flux at the interface, which suppress the oscillation successfully. Several single-medium and multi-medium fluid examples are given to demonstrate the reliability and efficiency of the algorithm.     

Controls for the generations of high-order harmonics and attosecond pulses by infrared laser field combined with a low-frequency pulse

We investigate high-order harmonic generations by controlling various quantum paths of harmonics in an infrared laser field which combines a low-frequency pulse. Both classical theory and quantum wavelet transform method are used to understand the physics of harmonics. By adjusting the carrier envelope phase of the fundamental field, the intensities of harmonic spectra increase and the harmonics in the plateau become regular. Attosecond pulses each with a duration of 58 as are obtained directly by compressing the harmonics, and with phase compensation an isolated attosecond pulse less than 30 as can be generated.     

铁电材料光催化活性的研究进展

光催化技术被认为是最有前景的环境污染处理技术,这就使得光催化剂材料备受瞩目.近年来,铁电材料作为新型光催化剂材料受到人们越来越多的关注,其原因在于铁电材料特有的自发极化有望解决催化反应过程中的电子-空穴对复合问题,进而提高光催化活性.本文从两个方面对铁电极化如何影响光催化进行综述:一方面,从铁电极化入手归纳总结其对电子-空穴对分离的影响,进而更深入地从极化引发的退极化场和能带弯曲两个部分来阐述具体的影响机理;另一方面,为了消除静电屏蔽,分别从温度、应力(应变)、电场三个外场因素调控极化入手,归纳总结外场调控极化对电子-空穴对分离的影响,进而影响光催化活性.最后对该领域今后的发展前景进行了展望.     

基于双开口谐振环超表面的宽带太赫兹涡旋光束产生

提出了一种基于双开口谐振环单元结构超表面的太赫兹宽带涡旋光束产生器.该结构由金属-电介质两层构成,位于顶层的是基于双开口谐振环单元结构的超表面,底层为介质层.对单元结构阵列进行数值仿真,圆偏振的入射光可以被转换成相应的交叉偏振透射光,通过旋转表层金属谐振环,可以控制交叉偏振透射光具有相同的振幅和不同的相位.这些单元结构按照特定的规律排列,可以形成用以产生不同拓扑荷数的涡旋光束的涡旋相位板.以拓扑荷数1和2为例,设计了两种涡旋相位板,数值分析了圆偏振波垂直入射到该涡旋相位板生成交叉圆偏振涡旋光束的特性.结果表明,在1.39—1.91 THz的频率范围内产生了比较理想的不同拓扑荷数的涡旋光束,且透过率高于20%,最高可达到24%,接近单层透射式超表面的理论极限值.