新型鸟嘌呤类似物y-鸟嘌呤及其异构体电子光谱性质的理论研究

荧光核酸碱基类似物的设计合成是众多研究领域的热点课题. 本文利用密度泛函理论(DFT)和含时密度泛函理论(TDDFT)考察了新型鸟嘌呤类似物y-鸟嘌呤(yG-t1) 及其五个异构体(yG-t2到yG-t6)的结构性质、电子性质和光谱性质, 同时考察了甲醇溶剂和碱基配对对其光谱性质的影响. 研究表明, 气相中y-鸟嘌呤的标准结构并不是最稳定的结构, 其具有三个能量相近的异构体, y-鸟嘌呤最有可能以这三种形式存在. 光谱性质研究表明y-鸟嘌呤的最大吸收波长比天然鸟嘌呤大得多, 人们可以对其进行选择性激发. y- 鸟嘌呤的标准结构与其异构体显示出不同的光谱特性, 因此可以利用其电子光谱指纹对它们进行区分. 研究发现甲醇溶剂将使y-鸟嘌呤标准结构的最大吸收波长和荧光发生蓝移, 而使其他异构体相应值发生红移; 与胞嘧啶配对将使yG-t1, yG-t2, yG-t5 和yG-t6的最大吸收波长和荧光波长发生蓝移, 表明y-鸟嘌呤的电子光谱性质受环境影响较大.     

Temperature or strain induced adjustable-chirp characteristics of uniform fibre grating with tapered metal coating

Temperature and strain characteristics of uniform fibre grating with tapered metal coatings have been analysed theoretically, by which adjustable chirp characteristics of such gratings are shown. Electroplating is adopted to fabricate such gratings, and the tapered metal coating is obtained by gradually drawing the fibre grating out of the solution during the process of electroplating. The gradually changing cross-sectional area of the metal coating is calculated by a newly suggested numerical method. By combining the theoretical and numerical simulation analyses, the gratings' characteristics are given at various temperatures and strains. The results obtained using such a method are also testified by experiments.     

A generalized 2D FDTD model for photonic crystal fibers with frequency dependent media

A generalized model based on the two-dimensional finite-difference time-domain (2D FDTD) method for photonic crystal fibers (PCF) with frequency dependent media is presented. The Maxwell’s curl equations are formulated using flux density and the magnetic field. Auxiliary differential equations are used with complex-conjugate pole-residue pairs which incorporate the material dispersion of the dispersive media. The model is demonstrated to be a unified approach for arbitrary dispersive materials; therefore, it definitely reduces implementation cost when dealing with different frequency-dependent materials.     

Analytical and numerical study of coupled atomistic-continuum methods for fluids

The stability and convergence rate of coupled atomistic-continuum methods are studied analytically and numerically. These methods couple a continuum model with molecular dynamics through the exchange of boundary conditions in the continuum-particle overlapping region. Different coupling schemes, including velocity–velocity, flux–velocity, velocity–flux and flux–flux, are studied. It is found that the velocity–velocity and flux–velocity schemes are stable. The flux–flux scheme is weakly unstable. The stability of the velocity–flux scheme depends on the parameter T_c which is the length of the time interval between successive exchange of boundary conditions. It is stable when T_c is small and unstable when T_c is large. For steady-state problems, the flux–velocity scheme converges faster than the other coupling schemes.     

发光二极管用SrWO4:Eu3+红光荧光粉激发谱强度的调控

采用化学共沉淀法制备了Eu³⁺掺杂摩尔分数不同、煅烧温度不同的SrWO₄:Eu³⁺系列发光粉体, 所制备的粉体均具有Eu³⁺特征的强室温红光荧光发射. 通过调节煅烧温度和掺杂摩尔分数来调控近紫外和蓝光吸收强度, 进而调控用395 nm的近紫外光和465 nm的蓝光激发样品所得红光发光强度. 研究结果表明, 所制备的SrWO₄:Eu³⁺红光荧光粉可以被紫外和蓝光发光二极管有效激 关键词： 稀土掺杂 4:Eu³⁺')" href="#">SrWO₄:Eu³⁺ 光致发光 白光发光二极管     

基于混沌序列和RIPless理论的循环压缩测量矩阵的构造

压缩测量矩阵的构造是压缩感知的核心工作之一.循环矩阵由于其对应离散卷积且具有快速算法被广泛应用于压缩测量矩阵.本文力图将混沌的优点和循环矩阵的优点相结合,提出基于混沌序列的循环压缩测量矩阵.混沌循环测量矩阵元素的产生仅需要利用混沌的内在确定性,即利用混沌映射公式、初始值以及一定的采样间隔就可以产生独立同分布的随机序列;同时混沌序列的外在随机性可以满足压缩测量矩阵对随机性的要求.本文给出了使用Cat混沌映射时混沌循环测量矩阵的构造方法,以及该矩阵RIPless特性的检验.研究了采用构造的混沌循环测量矩阵对一维和二维信号进行压缩测量的效果,并与采用传统的循环测量矩阵的效果进行了比较.结果表明,混沌循环测量矩阵对于一维和二维信号都具有很好的恢复效果,且对二维信号的恢复性能要优于已有的循环矩阵.从相图角度分析了混沌循环测量矩阵优于已有的循环矩阵的机理,指出混沌的内在确定性和外在随机性的有机结合是所构造的混沌循环测量矩阵性能优于传统的循环矩阵的本质性原因.     

有限时间Lyapunov指数的高精度计算新方法

针对目前有限时间Lyapunov指数(FTLE)计算方法准确度不高和无法获得边界值的问题,基于对偶数理论提出了一种新的高精度计算方法.首先描述了基于有限空间差分方法计算FTLE的缺点和问题:其次介绍了基于对偶数理论的高精度导数计算方法及其显著优点,并将动力系统的柯西一格林形变张量计算问题转化为对偶数空间中非线性微分方程数值求解问题;最后对单摆和非线性Duffing振子两个典型物理动力系统进行了数值实验.结果表明:基于对偶数理论的新方法能有效、方便和高精度地计算出有限时间Lyapunov指数场,并成功识别出所包含的拉格朗日相关结构.     

A false color image fusion method based on multi-resolution color transfer in normalization YCBCR space

In this paper, a false color image fusion method for merging visible and infrared images is proposed. Firstly, the source images and reference image are decomposed respectively by Laplacian pyramid transform. Then the grayscale fused image and the difference images between the normalized source images are assigned to construct YC_BC_R components. In the color transfer step, all the three channels of the color space in each decomposition level are processed with the statistic color mapping according to the color characteristics of the corresponding sub-images of the reference image. Color transfer is designed based on the multi-resolution scheme in order to significantly improve the detailed information of the final image, and to reduce excessive saturation phenomenon to have a comparatively natural color appearance compared with the classical global-coloring algorithm. Moreover, the differencing operation between the normalized source images not only provides inter-sensor contrast to make popping the potential targets but also weakens the influence of the ambient illumination variety to a certain degree. Finally, the fused results and several metrics for evaluation of fused images subjectively and objectively illustrate that the proposed color image fusion algorithm can yield a more complete mental representation of the perceived scene, resulting in better situational awareness.     

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