光谱数据库软件系统

介绍了红外光谱及核磁共振波谱信息库系统的设计方案和技术关键.系统数据库包含纯化合物红外光谱约9万多张,高聚物红外光谱1.2万张,药品红外光谱1千张,以及核磁共振氢谱6万多张,碳谱4万多张.可以按光谱编号、化学名、商品名、原子数、分子式进行查询,还能根据未知物光谱图的谱峰形状进行检索.结果得到未知化合物的相关信息及其标准谱图.     

由半导体激光器端面输出谱确定自发辐射谱

利用射线法和平均载流子分布近似，从理论上预言了用阈值以下半导体激光器的端面输出谱来确定自发辐射谱的可能性。在此基础上，通过实验测得的阈值以下半导体激光器的端面输出谱确定了自发辐射谱，并且对自发辐射谱和增益谱进行了比较和分析。     

基于压缩感知理论的非线性γ谱分析方法

γ谱分析是一种重要的放射性核素定量分析方法. 弱峰的检测和重叠峰的分解是γ 谱分析中的难点. 为了解决这两个问题, 基于压缩感知理论, 提出了一种新的γ 谱分析方法. 这一方法从谱仪对γ 谱调制的物理机理出发, 通过数学建模, 将γ 谱分析转化为一个以真实γ 谱为解的求逆问题, 并在压缩感知理论框架下, 运用γ 谱特征峰的稀疏性, 进行逆问题的求解, 直接获得γ 谱的估计结果. 数值模拟结果和蒙特卡洛模拟结果表明: 该方法能在降低统计涨落的同时, 有效减小谱仪调制带来的能谱展宽, 从而提高γ 谱分析精度. 关键词： γ谱分析')" href="#">γ谱分析 压缩感知 非线性 逆问题     

Energy spectrum of the Hamiltonian of the Jaynes-Cummings model without rotating-wave approximation

The energy spectrum of the Hamiltonian of the Jaynes-Cummings model without a rotating-wave approximation is studied. The trajectories of eigenvalues as functions of the dimensionless coupling constant are constructed. It is shown that the spectrum approaches the equidistant spectrum, i.e., the oscillator spectrum, as the coupling constant increases. As a result, each energy level becomes doubly degenerate.     

An adaptive step-size spectrum auction mechanism for two-tier heterogeneous networks

Recently, with the rapid growth of demands for wireless communications, dynamic spectrum allocation is one of the key technologies in cognitive radio networks to resolve the realistic problem of low utilization efficiency of spectrum. It mainly focuses on how the spectrum owner dynamically allocates idle spectrum to secondary users who have no licensed spectrum for communications. In this paper, a dynamic spectrum allocation model based on auction theory in a two-tier heterogeneous network is proposed, in which the primary users (PUs) are the sellers, the central processor (CP) auctioneer is the coordinator, and femtocell base station (FBS) as the buyer bids for the idle spectrum and act as a wireless access point that provides communication services for secondary users (SUs). Its basic process is as follows: the auctioneer gradually raises the spectrum price from the reserved price; each bidder decides whether participates in the purchase or not. It is characterized by distributed execution and low complexity which can reduce unnecessary information exchange between primary users or secondary users. Meanwhile it can enhance the utilization of spectrum and improve the efficiency of the auction by generate the incentive mechanism.     

旋转不变振幅位相合成圆谐滤波器

提出了振幅位相合成圆谐滤器用于旋转不变模式识别，该滤波器的振幅是圆谐滤波器的振幅谱加偏移量后的逆函数，位相是圆谐滤波器的位相谱。计算机模拟实验证明，与传统的圆谐滤波器和纯位相圆谐滤波器相比，振幅位相合成圆谐滤波器具有更好的识别能力，能产生更尖锐的相关峰和更大的输出信噪比。     

基于太阳光谱的NO2浓度反演方法

 构建了一套光谱测量系统,以太阳光为光源,利用高精度成像光谱仪采集太阳光谱,选取某一时刻的太阳光谱为参考,结合当时的污染气体浓度数据,应用差分吸收原理,反演出其他任意时刻的NO2浓度。运用Origin7.5软件进行光谱解析,根据HITRAN数据库绘制吸收截面谱,并获取指定数值的应用,实现了对光谱谱线的定量分析,并且误差小。该反演过程具有光谱处理失真低以及反演参量精度高的特点,一定程度上提高了太阳光谱反演气体浓度的精度。实验结果与其他设备测量结果一致,证实了该方法的可行性。     

面向LAMOST的天体光谱离群数据挖掘系统研究

在宇宙中寻求未知天体是人类探索宇宙奥妙所追求的目标之一,离群数据挖掘是发现未知天体光谱数据的一种有效途径。文章首先以VC++和Oracle9i为开发工具,设计与实现了面向LAMOST的恒星光谱离群数据挖掘系统,并给出了其软件体系结构和模块功能。其次,对基于中值滤波器的恒星光谱数据预处理、基于距离的恒星光谱数据聚类、基于距离支持度的恒星光谱数据离群数据挖掘、基于主分量分析法PCA的恒星光谱数据离群数据的三维可视化等主要关键技术进行了详细描述。最后,基于SDSS恒星光谱数据的运行结果表明,利用该系统寻找天体光谱离群数据是可行的,从而为寻找未知的、特殊的天体光谱数据提供了一种新途径。     

利用标记谱分区摄谱方法研究

利用汞光谱简单而又分布于整个可见光区的特点,作为标记谱,辅助标准铁光谱,先按顺序分区再识谱（读谱）。该方法使得应用棱镜摄谱仪进行摄谱、读谱变得简单、准确,大大节省了时间,实验设备同时也简化。     

傅里叶变换红外光谱曲线的数据转换研究

为将打印纸质的傅里叶变换红外光谱图转化为数字光谱,测试了玉米黄质样品的傅里叶变换红外光谱,在光谱保存为数字光谱的同时也通过打印机打印出光谱曲线。使用扫描仪把打印出纸质的光谱转化为计算机储存的图像,对图像进行旋转调整,图像识别软件把图中的光谱曲线转换为数字光谱。对比从打印光谱中提取的数字光谱和直接保存的数字光谱,发现它们在吸收峰的位置上十分接近,最大偏差为0.85cm^-1,光谱的相关系数达到99.78%。研究表明该方法可以快速准确的把打印光谱图转换为数字光谱,为从老式傅里叶变换红外光谱仪的测试结果中获得数字光谱提供了一种便捷的方法。     

面向高保真印刷的特征光谱提取与匹配方法研究

快速、准确的进行光谱重建是高保真印刷复制研究的难点。针对多个基色参与复制造成颜色在光谱表征和油墨配比之间转换模型复杂的问题,提出了一种用于高保真印刷的特征光谱提取和匹配方法。该方法利用光谱的导数变换对印刷基色油墨的特征光谱波段进行了筛选和提取,在此基础上提出了特征光谱的多阈值编码算法;针对高保真印刷中的分区判断问题,利用导数平均特征光谱表示各分区特征,并通过目标光谱与各分区的导数平均特征光谱的光谱匹配算法,解决了高保真印刷中的分区判断问题。实验结果表明,提取的特征光谱波段能够显著代表各个基色的光谱特征,基于特征光谱的色彩转换模型精度高于基于全波段的色彩转换模型;光谱匹配算法在判断分区上达到了很高的精度,极大的提高了效率,具有较高的实用性。     

啁啾高斯脉冲通过增益色散介质的传输特性

采用复数波数定义和衍射积分方法,研究了啁啾高斯脉冲在增益色散介质中的传输特性,给出了介质增益谱为洛仑兹分布时的频谱分布以及时空分布的传输解析公式,详细分析了传输过程中光场的频谱和时空分布、脉宽和频谱变化以及谱移等特性。结果表明,啁啾高斯光束在介质中传输时其时间波形仍保持高斯分布不变,但在传输过程中其脉宽会发生变化。在传输过程中,啁啾参量会影响谱宽的减小程度以及谱移的幅度。啁啾参量越大,脉宽展宽和谱宽压窄的效果越明显,同时,随着传输距离的增大,光谱谱移也越明显。对于给定的啁啾参量,随着传输距离的增大,谱移将最终趋于一恒定值。     

Turbulence spectra generated by singularities

The problem of turbulence spectra generated by the singularities located on lines and planes is considered. It is shown that the frequency spectrum of fluid-surface displacements due to whitecaps (linear singularities) is scaled like a weakly turbulent Zakharov-Filonenko spectrum. The corresponding wave-vector spectrum may be highly anisotropic with a decrease in maximum, as in the Phillips spectrum. However, in the isotropic situation, the spectrum differs markedly from the Phillips form. For a highly anisotropic two-dimensional turbulence, the vorticity jumps can generate the Kraichnan power-law distribution in the region of maximal angular peak. For the isotropic distribution, the turbulence spectrum coincides with the Saffman spectrum. For the shock-generated acoustic turbulence, the spectrum has the form of the Kadomtsev-Petviashvili spectrum Eω～ ω^?2 for all spatial dimensionalities.     

Special features of local spatial spectrum of Bessel light beams

In this paper we consider the angular spectrum of an apertured Bessel beam when the aperture is circular and shifted laterally with respect to the optical axis. Since the perturbation of the resulting angular spectrum is due to a spatially localized Bessel field, we refer to such an angular spectrum as the local spatial spectrum. We show that the local spatial spectrum of the Bessel beam may differ considerably from the angular spectrum of an unapertured Bessel beam, and find that the ring-shaped angular spectrum is converted into two arcs whose width in the azimuthal direction monotonically decreases as the shift of the circular aperture increases. This phenomenon is predicted theoretically and confirmed experimentally.     

利用Doppler-warping变换的水下对空运动声源的线谱探测EI北大核心CSCD

提出了一种利用Doppler-warping变换的水下对空运动声源的线谱探测方法。该方法首先利用Doppler-warping变换线性化目标线谱的多普勒相位,再提取线性化后的目标线谱点,结合波束形成算法实现对目标的探测。仿真和海试数据处理结果表明,与直接提取目标线谱实现探测的方法相比,所提出方法有以下几个优势:(1)将目标线谱多普勒相位线性化,线谱跟踪更为稳定连续;(2)将目标线谱频带展宽的能量重新集中到原频率附近,在低信噪比环境下能更好地提取目标线谱;(3)将干扰线谱瞬时频率非线性化,能更好地实现干扰线谱的分离。海试数据处理结果表明,实现了对远至16.8 km处空中运动目标的水下有效探测,探测能力与抗干扰能力明显增强。     

血清白蛋白的构象研究Ⅳ．pH诱导HSA构象变化的光谱研究

用紫外吸收二阶导数谱辅以荧光光谱、紫外吸收光谱研究了ｐＨ＝３．０～１１．０范围内ＨＳＡ中芳香氨基酸残基微环境的变化，以此作为推断构象变化的探针。     

Evidence for a vibronic spectrum in the photoluminescence of thoria

The photoluminescence spectrum obtained at 77 K for undoped and doped thoria samples produced by thorium nitrate thermolysis reveals the presence of a fine structure, which is interpreted as a vibronic spectrum. The two vibrational frequencies which can be deduced from this spectrum agree with the values found by IR and Raman techniques. The possible origin of the vibronic spectrum is discussed.     

Photoelectron spectra of thermally generated unstable organic compounds — 2-Propene-1-imine

2-Propene-1-imine together with equimolar quantities of propene was generated from diallylamine in a thermal reactor within a Perkin—Elmer PS 16 photoelectron spectrometer and the He(I) photoelectron spectrum of the products recorded. The spectrum of pure 2-propene-1-imine was obtained by subtracting the spectrum of propene from the spectrum of the reaction products. The latter method was tested for the reaction of azetidine (trimethylenamine) to give methylenimine and ethylene. The photoelectron spectrum of 2-propene-1-imine is interpreted in terms of reference ionisations as well as various semiempirical calculations including electronic reorganisation and correlation. The infrared spectrum of 2-propene-1-imine at 10 K in an argon matrix is presented in addition.     

近红外离散波长光谱基线漂移校正方法研究

微分是(近)红外光谱多元分析校正中最常使用也是最有效的光谱基线漂移校正方法。由于数据数目较少及相邻数据在光谱意义或数学意义上缺乏连续性,微分不能直接用于离散波长光谱消除基线漂移。为此,提出了一种结合插值拟合和微分校正离散光谱基线漂移的新方法。思路是采用三次样条插值法对离散波长光谱进行拟合,然后对拟合光谱进行Savitaky-Golay卷积求导,再从微分光谱中取出对应于原离散波长光谱数值的数值,构成离散波长光谱的微分光谱,从而实现离散波长光谱的基线漂移校正。通过分别由模拟离散波长光谱数据和实际的离散波长光谱数据建立多元校正模型检验新方法效果。采用ABC干粉灭火剂和土壤的近红外光谱数据及性质建立了PLS和MLR模型。结果表明,新方法能有效消除离散波长光谱的基线漂移对多元分析校正产生的不利影响,明显地提高了多元分析校正模型的准确性,对改善离散波长光谱仪器分析准确度具有重要的理论意义和实际应用价值。     

稀土水杨酸配合物的光谱性质

合成了一系列稀土水杨酸配合物.分别研究了配合物的红外光谱(IR),紫外(UV)及荧光光谱(FS)性质.红外光谱研究表明,稀土和水杨酸主要通过羧基进行配位,而紫外光谱显示配合物中水杨酸和稀土离子之间的能量传递是主要过程;配合物的荧光性质研究发现水杨酸钆,水杨酸铽,水杨酸镝分子内能量传递效率高,具有很强的荧光性质.