Quantum chemical construction of a reduced reaction Hamiltonian and T 1 -relaxation and pure T 2 -dephasing rates for the proton transfer in 3-chlorotropolone

Separating multidimensional problems into that of a relevant system which is coupled to a bath of harmonic oscillators is a common concept in condensed phase theory. Focusing on the specific problem of intramolecular proton transfer in an isolated tropolone derivative, we consider the reactive proton moving in the plane of the molecule as the system and the remaining substrate normal modes as the bath. An all-Cartesian system-plus-substrate Hamiltonian is constructed employing density functional theory. It is then used to determine the temperature-dependent effective reduced reaction Hamiltonian and the state-to-state dissipation rates induced via the system-substrate coupling up to the bi-quadratic order. The important substrate modes for the T₁-relaxation and the pure T₂-dephasing rates, which are either intra- or inter-well in nature, are identified numerically and analyzed physically with molecular details. Received 19 November 2001 and Received in final form 19 February 2002     

类氦Fe~(24+)离子的电子碰撞激发及辐射级联特性研究

基于全相对论扭曲波(RDW)电子碰撞激发计算程序REIE06,系统计算了类氦Fe~(24+)离子基态1s~(21)S_0到激发态1s2s和1s2p精细结构能级的碰撞强度和截面,分析了在不同入射电子能量下碰撞强度的变化规律,详细研究了在6.86 Ke V和9.94 Ke V能量下,碰撞辐射级联效应对类氦Fe~(24+)离子w线(1s~(21)S_0→1s2p~1P_1)、x线(1s~(21)S_0→1s2p~3P_2)、y线(1s~(21)S_0→1s2p~3P_1)和z线(1s~(21)S_0→1s2s~3S_1),x/w、y/w和z/w线强度比值的影响,总结了一些有意义的结论.部分计算结果与其它实验和理论结果进行了比较,取得了很好的一致性.     

基于室温脉冲量子级联激光器的NO气体检测中的光谱处理方法研究

报导了采用基于室温脉冲量子级联激光器的脉内光谱检测技术,利用中心波长为1904 cm^-1的量子级联激光器,在实验室对NO气体样品进行检测的研究结果. 针对单线直接吸收光谱反演算法进行了研究,介绍了基线拟合的最小二乘算法以获取其吸光度,根据HITRAN数据库中相应吸收谱线的吸收线强,采用扫描积分实现了气体浓度的反演,避免了标气标定造成的误差及污染;通过拟合残差分析得到了系统的检测限,达到34×10^-6 m. 关键词： 量子级联激光器 中红外 多项式拟合 扫描积分     

真空短间隙微弧级联效应观测

利用0.5 mm间隙微通道板成像器观测了微弧放电的斑点级联效应.实验发现,微弧阴极斑点的运动轨迹呈多类型的折线轨迹,斑点间隙在200—300 μm,首发射阴极斑点的放电强度比次级斑点高一个量级以上,而且次级斑点之间的放电强度相对稳定,次级斑点在放电阴极表面无融蚀现象.实验表明,次级斑点产生机制与首发射存在较强的依赖关系. 关键词： 阴极斑点 微弧级联 微通道板成像器     

基于室温脉冲量子级联激光器的NO气体检测中的光谱处理方法研究

报导了采用基于室温脉冲量子级联激光器的脉内光谱检测技术,利用中心波长为1904 cm^-1的量子级联激光器,在实验室对NO气体样品进行检测的研究结果. 针对单线直接吸收光谱反演算法进行了研究,介绍了基线拟合的最小二乘算法以获取其吸光度,根据HITRAN数据库中相应吸收谱线的吸收线强,采用扫描积分实现了气体浓度的反演,避免了标气标定造成的误差及污染;通过拟合残差分析得到了系统的检测限,达到34×10^-6 m.     

Analysis of robustness of urban bus network

In this paper,the invulnerability and cascade failures are discussed for the urban bus network.Firstly,three static models(bus stop network,bus transfer network,and bus line network) are used to analyse the structure and invulnerability of urban bus network in order to understand the features of bus network comprehensively.Secondly,a new way is proposed to study the invulnerability of urban bus network by modelling two layered networks,i.e.,the bus stop-line network and the bus line-transfer network and then the interactions between different models are analysed.Finally,by modelling a new layered network which can reflect the dynamic passenger flows,the cascade failures are discussed.Then a new load redistribution method is proposed to study the robustness of dynamic traffic.In this paper,the bus network of Shenyang City which is one of the biggest cities in China,is taken as a simulation example.In addition,some suggestions are given to improve the urban bus network and provide emergency strategies when traffic congestion occurs according to the numerical simulation results.     

等效的DBHF方法研究有限核性质

利用等效的Dirac Brueckner Hartree-Fock(DBHF)方法,即用密度相关的核子–介子耦合常数在相对论平均场近似下,考虑了重排列项,研究了有限核的性质.介子–核子耦合常数的密度相关性是由考虑了核子短程关联的DBHF方法来确定的,要求在每个密度下用相对论平均场方法得到的核子自能与用DBHF得到的自能一致.计算了核物质性质及有限核基态性质,并着重讨论了重排列项对Ca及Pb同位素链结果的影响.考虑重排列项作用后使计算的核电荷均方根半径增大,更好地符合实验值.     

Terahertz generation in quantum cascade structures by two-color deriving fields: An approach to reach inversion population via optical pumping

In this paper, a quantum cascade laser (QCL) design is proposed based on GaAs/AlGaAs material system, which simultaneously operates at three widely separated wavelengths (${\lambda }_1=11.1\mu m,{\lambda }_2=14.1\mu m$ and ${\lambda }_{THz}=60\mu m$). In the design, all the wavelength radiations are achieved by the engineering of the electronic spectrum via the quantum-well widths and the applied electric field in a single active region within a same waveguide. The mid-infrared (mid-IR) wavelengths are obtained by adoption a dual-upper-state active region, and the proposed design aims to use both the mid-IR radiations as the coherent deriving fields to populate the upper THz lasing state to aid the THz-laser population inversion via optical pumping instead of direct electrical injection. A detailed analysis of electronic transport in the structure is carried out using a multi-level rate-equation model. The results show that the proposed structure offers an alternative approach to room temperature THz generation in QCLs.     

电弧炉电极位置控制系统的SIMULINK仿真研究

介绍了基于MATLAB5.2提供的仿真工具SIMULINK,对电弧炉电机位置控制系统进行建模、仿真和分析研究,首先得到了系统数学模型,用超前校正器（PD控制器）对该控制系统进行串联校正,然后用SIMULINK实现对该控制系统的全图形化功能模块结构图仿真计算,仿真结果表明,系统能得到更好的动态性能参数。     

Material growth and device fabrication of terahertz quantum-cascade laser based on bound-to-continuum structure

The terahertz quantum-cascade laser （THz QCL） based on bound-to-continuum structure is demonstrated. The X-ray diffraction measurement of the material shows a high crystalline quality of the active region. A THz QCL device was fabricated with semi-insulating surface-plasmon waveguide. The test device is lasing at about 3 THz and operating up to 60 K. It shows a single frequency property under different drive currents and temperatures. At 9 K, the maximum output power is greater than 2 mW with a threshold current density of 159 A/cm2.