铁分子Fe2的自旋极化效应

采用密度泛函方法(B3P86)对 Fe_2分子结构进行了优化.计算结果中未观察到自旋污染,基态波函数与高态波函数并未混杂,结果表明,Fe_2中有8个未配对电子,这些电子空间分布不同和自旋平行产生的自旋极化效应,使 Fe_2能量最低.计算结果表明,Fe_2分子的基态是~9∑_g~ ,并非~7Δ_u,进而表明 Fe_2的自旋平行效应比电子自旋配对效应要强.计算得到该分子基态的二阶、三阶和四阶力常数分别为1.4115×10~(-2)aJ/nm~2、-37.1751×10~3aJ/nm~3和 98.7596×10~4aJ/nm~4；光谱数据ω_eχ_e、B_e、α_e分别为0.3522、0.0345、 0.4963×10~(-4)cm~(-1)；离解能为3.5522eV,平衡键长为0.2137nm,振动频率为292.914cm~(-1)；并得到了 Murrel-Sorbie 函数.     

Structural and thermodynamic properties of AlB2 compound

We employ a first-principles plane wave method with the relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter (HGH) scheme in the frame of DFT to calculate the equilibrium lattice parameters and the thermodynamic properties of AlB₂ compound with hcp structure. The obtained lattice parameters are in good agreement with the available experimental data and those calculated by others. Through the quasi-harmonic Debye model, obtained successfully are the dependences of the normalized lattice parameters a/a₀ and c/c₀ on pressure P, the normalized primitive cell volume V/V₀ on pressure P, the variation of the thermal expansion α with pressure P and temperature T, as well as the Debye temperature \Theta_D and the heat capacity C_V on pressure P and temperature T.     

CONCEPTUAL DESIGN STUDIES OF AN 84 GHz, 500 kW, CW GYROTRON

The feasibility of an 84 GHz, 500 kW, CW gyrotron for ECRH on an experimental tokamak will be presented in this paper. Mode competition and mode selection procedures are carefully investigated by considering various candidate modes and the TE_10,4 mode is chosen as the operating mode. A conventional cylindrical cavity resonator with weak input and output tapers and parabolic roundings is considered for interaction studies. Self-consistent, both single mode and time-dependent, calculations are carried out and power and efficiencies are computed for a typical set of beam parameters. The results show that an output power of well over 500 kW, CW and efficiency around 40% can be reached without a depressed collector.     

Analysis of Aperture Field of Circular Groove Guide Horn Antenna by Using FD-TD Method

This paper presents an instance of using FD-TD method to analyze the aperture field of circular groove guide horn antenna. This process is one part of a hybrid method to solve the radiation field of aperture antenna. To verify the calculated aperture field the radiation pattern is computed from it and compared with the measured one. Good agreement is reached.     

Hilbert重级数定理的一个改进

The object of this note is to prove the followingTheorem Let{a_n}and{b_n}be sequences of real numbers such that0<∑∑a_n~2<+∞and0<∑b_n~2<+∞.Then we have the inequalitysum from m=1 to∞sum from n=1 to∞a_mb_n/m+n<{sum from n=1 to∞(π-θ/n~(1/2)a_n~2}~1/2{sum from n=1 to∞(π-θ/n~(1/2)b_n~2}~1/2 (1)whereθ=3/2~(1/2)-1=1.121320343.     

New ligands for the Fe(III)‐mediated reverse atom transfer radical polymerization of methyl methacrylate

A series of (di)picolinic acids and their derivates are investigated as novel complexing tridentate or bidentate ligands in the iron‐mediated reverse atom transfer radical polymerization of methyl methacrylate in N,N‐dimethylformamide at 100 °C with 2,2′‐azobisisobutyrontrile as an initiator. The polymerization rates and polydispersity indices (1.32–1.8) of the resulting polymers are dependent on the structures of the ligands employed. Different iron complexes may be involved in iron‐mediated reverse atom transfer radical polymerization, depending on the type of acid used. ¹H NMR spectroscopy has been used to study the structure of the resulting polymers. Chain‐extension reactions have been performed to further confirm the living nature of this catalytic system. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 2912–2921, 2006     

悬停直升机的雷达探测技术

首先对直升机旋翼的雷达回波进行建模与分析,在此基础上分析了雷达探测悬停直升机的可能性,提出了一种适用于所有直升机类型的多扫描周期积累检测系统方案,讨论了可能影响其检测性能的因素.     

Mg_(0.15)Zn_(0.85)O:Tb合金薄膜的阴极射线发光性质研究

采用溶胶凝胶方法成功地制备了掺杂稀土铽离子的 Zn O和 Mg0 .1 5Zn0 .85薄膜。通过对 X射线衍射结果的分析表明 ,稀土离子替代了 Zn2 +的格位 ,进入了半导体基质的晶格中。从阴极射线发光结果可以发现 ,在Mg0 .1 5Zn0 .85O基质中 ,可以观察到来源于稀土铽离子各能级的发射 ,而 Zn O:Tb的薄膜只能观察到较强的铽离子 5D4 — 7F5能级的跃迁。这可能是由于 Mg0 .1 5Zn0 .85O基质的能隙 (3 .65 e V)比 Zn O更宽 (3 .3 e V) ,其对铽离子的能量传递更有效的缘故。     

现场总线技术在城市污水处理与气象中的应用

文章主要讨论了LonWorks现场总线技术在城市污水处理厂和气象指数预报中的应用。采用IPC和PLC控制结构对现场的各种设备实现控制和数据的采集，通过现场总线网络传输数据到中心控制室或远程终端，实现污水处理的自动控制和气象信息的实时采集和处理。