从原子到大分子体系的计算机模拟——计算化学50年

本文综述并修订了从20世纪50年代末至今,我们在计算化学领域所做的一些有意义的工作。序言部分把我们的工作置于当代科学的背景之下。然后我们以一种经典的基准测试体系——一种新的单粒子表象（即替代传统的原子和分子自旋轨道的化学自旋轨道）所构建的氢分子（H2）波函数——作为开始。用Hartree-Fock-Heitler-Lo...     

Broadband photonic ADC for microwave photonics-based radar receiver

A broadband photonic analog-to-digital converter(ADC) for X-band radar applications is proposed and experimentally demonstrated. An X-band signal with arbitrary waveform and a bandwidth up to 2 GHz can be synchronously sampled and processed due to the optical sampling structure. In the experiment, the chirp signal centered at 9 GHz with a bandwidth of 1.6 GHz is sampled and down-converted with a signal-to-noise ratio of 7.20 d B and an improved noise figure. Adopting the photonic ADC in the radar receiver and the above signal as the transmitted radar signal, an X-band inverse synthetic aperture radar system is set up, and the range and cross-range resolutions of 9.4 and 8.3 cm are obtained, respectively.     

利用Landsat热红外数据研究1985年—2015年北京市冬季热场分布

由于北京城市中心区冬季供暖、汽车尾气、工业生产等因素的影响,以及冬季植被覆盖减少导致地表热惯量降低,致使北京市冬季地表热场与其他季节差异明显。冬季城市热场分布直接影响冬季大气颗粒物等污染物的扩散速度,因此,研究热场分布对了解城市热场在大气颗粒物污染中的贡献具有重要的意义。首先利用MODTRAN大气辐射传输模型计算大气透过率、大气上行辐射与大气下行辐射三个关键参数,通过构建查找表解算热红外波段辐射传输方程。使用数据模拟的手段评价了该方法的精度,结果表明,当比辐射率和水汽分别在±0.005和±0.6的误差范围内波动时,温度反演的误差分别小于0.348和2.117 K,表明该方法可达到较高的反演精度。选择长时间序列Landsat TM、ETM+数据,进行地表温度反演,得到1985年—2015年北京市的地表温度。基于反演的地表温度分析了北京市热场的时空分布。结果表明,北京冬季热场分布在空间上可分为四个层次：北京市二环内温度较高、二环到五环内低温环状特征明显、外围郊区温度高以及北京西部的山区温度最低;随着近30年来北京市的快速发展,热场分布在长时间序列中发生了明显的改变：随着北京城市的不断扩张,环状低温区域也不断扩大,从三环扩展到六环;城市二环以内热岛效应随时间推移而增强,且分布范围扩大。     

Highly linear transmission and EVM improvement of vector modulation signals for radio-over-fiber applications

The principle of error vector magnitude (EVM) against modulator nonlinearity for vector modulation signal (VMS) transmission in radio-over-fiber (RoF) systems is theoretically and experimentally investigated. A highly linear modulation scheme is proposed and demonstrated using a single-drive dual parallel Mach-Zehnder modulator (MZM). This method improves EVM performance and enlarges the linear input dynamic range of the VMS transmission. An index of maximum allowable input power difference (MAIPD) that reflects the difference of upper input power limits between these two schemes is measured. An EVM limitation of 5% MAIPD has 5 dB. Both 16and 64-QAM results indicate that the proposed scheme supports VMS transmission better than the MZM one.     

Synthesis and Crystal Structure of 3,3'-Bis(5-(N-(4-hydroxylphenyl)imidomethyl)- pyrrol-2-yl)pentane·2CH_3OH

3,3'-Bis(5-(N-(4-hydroxylphenyl)imidomethyl)pyrrol-2-yl)pentane 1 has been synthesized and characterized. The crystal of its methanol complex, 1·(CH3OH)2, belongs to the orthorhombic system, space group Pccn with a = 18.094(2), b = 11.6890(16), c = 13.3629(19) , V = 2826.3(7) 3, Z = 8, C14.5H18N2O2, Mr = 252.31, Dc = 1.186 g/cm3, F(000) = 1080 and μ(MoKα) = 0.080 mm-1. The final R = 0.0662 and wR = 0.1801 for 1908 observed reflections with I 2σ(I), and R = 0.0800 and wR = 0.1948 for all reflections. In the solid state, bridged by included methanol molecules, the molecules of compound 1 form interpenetrated grid structure through N–H···O and O–H···O hydrogen bonds.     

中红外激光晶体Er∶KPb_2Cl_5的原料制备和晶体生长

本文是对中红外激光晶体Er:KPb2C l5的原材料处理合成和晶体生长进行的研究报道。由于KPb2C l5的合成原料容易水解和氧化,我们设计了合适的方案对原料进行了处理,并成功合成出掺杂的稀土氯化物,然后在自制的垂直两温区晶体生长炉内,用B ridgm an法成功生长出透明的尺寸为22×10×5mm3的Er:KPb2C l5单晶体,并测试了粉末衍射和吸收光谱。     

解析几何解题技巧点滴

熟悉并掌握解析几何解题的技巧,是正确、迅速解题的必要条件。下面根据本人平时教学中的粗浅体会,谈谈一些常见的技巧。一、紧密结合代数知识研究几何问题众所周知,解析几何中解析法是借助于坐标系用代数的方法去研究几何问题的方法。如果能把代数知识充分灵活地运用,则几何问题就可迎刃而解。例1 已知曲线x~2+y~2+2kx+c=0中,c为负常数,证明:无论k取何值时,曲线恒过两定点。证:把圆系方程化为关于k的一元一次方程: 2x·k=-(x~2+y~2)-c (1) ∵k有无穷解,∴{2x=0 -(x~2+y~2)-c=0} 即{x=0 y=±-c(1/2) 显然这是满足关于x、y的方程的一组解,故曲     

列车防滑器主机故障诊断系统设计

SAB型列车防滑制动系统应用于国内T型列车,数量多,为了提高列车防滑器主机故障检测和维修效率,针对SAB WABCO公司的SWKAS20C型列车防滑器主机,设计了元件级故障检测与定位专家系统。通过研究模拟电子电路故障诊断技术,设计了基于支持向量机的多故障分类器,用于主机模拟电路故障样本数据的训练和测试,并通过改进算法寻优向量机参数,提高了故障诊断的准确度。搭建了模拟列车运行环境的测试平台,用以模拟主机在多种状态下的故障模式;使用VS2010开发环境编写了MFC专家系统。     

中红外激光晶体Er:KPb2Cl5的原料制备和晶体生长

本文是对中红外激光晶体ErKPb2Cl5的原材料处理合成和晶体生长进行的研究报道.由于KPb2Cl5的合成原料容易水解和氧化,我们设计了合适的方案对原料进行了处理,并成功合成出掺杂的稀土氯化物,然后在自制的垂直两温区晶体生长炉内,用Bridgman法成功生长出透明的尺寸为22×10×5mm3的ErKPb2Cl5单晶体,并测试了粉末衍射和吸收光谱.     

A Novel Binuclear Cu（Ⅱ） Complex with Nitroxide Radicals Exhibiting Ferromagnetic Interactions

A new binuclear Cu(Ⅱ) complex with nitronyl nitroxide radicals [Cu(NIT3Py)2Cl2]2(NIT3Py = 2-(3'-pyridinyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) has been synthesized and structurally characterized by X-ray diffraction analysis.It crystallizes in monoclinic,space group C2/c with a = 38.483(4),b = 7.2450(8),c = 27.559(3) ,β = 134.0180(10)°,V = 5525.6(10) 3,C48H64Cl4Cu2N12O8,Mr = 1206.00,Z = 4,Dc = 1.450 g/cm3,μ(MoKα) = 1.025 mm-1,F(000) = 2504,S = 1.066,the final R = 0.0471 and wR = 0.1121 for 3286 observed reflections(I > 2σ(I)).The title complex consists of centrosymmetric dinuclear units [Cu(NIT3Py)2Cl2]2,in which the copper ions are square-pyramidally coordinated by two pyridyl nitrogen atoms of two radical ligands and three chlorine anions,two of which bridge the copper ions.The magnetic measurements show ferromagnetic interactions between the copper ions and the radical ligands.