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.     

Can Millimeter Waves Generate Electroporation?

Analysis of the field distributions in a single biological cell under electromagnetic wave is given. With Debye approximation, the dielectric relaxation of each part of the cell, including the extracellular and cellular media, the cell membrane and the nuclear membrane, was taken into account. Making use of some typical parameters for a cell, the voltage across nuclear and cytoplasma membranes under electromagnetic waves are calculated up to millimeter wave frequency range. The calculated result indicates that it is unlikely to generate electroporation by present available millimeter wave sources.     

空气/水界面水分子的取向和运动

对四种不同的实验构型下空气／水界面自由O-H键在3700cm~(-1)的和频振动光谱的分析表明,水分子在空气／水界面的取向运动只可能是在平衡位置附近有限角度之内的受限转动。界面水分子的自由O-H键取向距界面法线约33°,而取向分布或运动的宽度不超过15°。这一图像显著地不同于Wei等人(Phys. Rev. Lett.86,4799(2001))只通过单一的SFG实验构型所得出结论,即：空气／水界面的水分子在超快的振动弛豫时间内在很大的角度范围内运动。     

Double-layer structural-acoustic coupling for cylindrical shell by using a combination of WDA and BIE

This work formulates the double-layer structural-acoustic coupling problem for cylindrical shell by using a combination of the wave-number domain approach (WDA) and the boundary integral equation (BIE). Expressions for the spectral radial velocity of the outer surface of a finite fluid-filled/submerged (FFS) cylindrical thin shell are formulated by means of the transfer matrix equation in wave-number domain. It is shown that the spectral variables on the inner surface of the shell are related to those on the outer surface of the shell. The far field sound radiation from this kind of shell is numerically evaluated for various fluid cases. An experimental verification is performed, and a good correlation between the theoretical results and the experimental results shows that the theoretical study work in this paper is correct.     

贝克曼AllegraTM21R型超高速离心机故障排除一例

贝克曼Allegra^TM 21R型超高速离心机开机后，操作面板上出现错误代码“28”，离心机不旋转。离心机的电机采用无刷感应驱动，由电机驱动电源模块BSMl0GD60DN2驱动离心机的电机。故障是由于电源模块BSMl0GD60DN2损坏引起的。采用东芝三相桥式IGBT电源模块MG25Q6ES42代替BSMl0GD60DN2，并更换已烧毁的栅极电阻后。开机试验，仪器恢复正常。     

伽利略的自由落体定律研究——"最美丽"的十大物理实验之一

在伽利略的运动学研究中,自由落体运动是一个重要课题.他敏锐地认识到,通过打开自由落体运动这个缺口,会导致一门新科学的诞生.他在《两门新科学》(即《关于两门新科学的数学证明的对话》)一书中写道:"我的目的,是要阐述一门崭新的科学,它研究的却是非常古老的课题.也许,在自然界中最古老的课题莫过于运动了.     

Solid-state Electrochemistry of Gadolinium Hexacyanoferrate Modified Electrode and Electrocatalytic Properties of Gadolinium Hexacyanoferrate

A new electroactive polynuclear inorganic compound of rare earth metal, gadolinium hexacyanoferrate (GdHCF), was prepared and characterized using the techniques of FTIR spectroscopy, thermogravimetric analysis (TG), UV-Vis spectrometry, X-ray photoelectron spectroscopy (XPS), ICP atomic emission spectroscopy, and EDX. The results of ICP atomic emission spectroscopy, EDX, and TGA indicated that the prepared GdHCF sample had a stoichiometry of NaGdFe(CN)₆·12H₂O (when GdHCF was prepared in NaCl solution). The FTIR spectrum of GdHCF showed that there were two types of water molecules in the structure of GdHCF: one was the interstitial water (5 H₂O), which resulted from the association of water due to H-bonding, and the other was water coordinated with Gd (7 H₂O). The results obtained using XPS showed that the oxidation state of Fe and Gd in the GdHCF sample was +2 and +3, respectively. GdHCF was immobilized on the surface of spectroscopically pure graphite (SG) electrode forming the GdHCF/SG electrode, and the solid-state electrochemistry of the resultant electrode was studied using cyclic voltammetry. The cyclic voltammetric results indicated that the GdHCF/SG electrode exhibited a pair of well-defined and stable redox peaks with the formal potential of E^0′=(197±3) mV. The effects of the concentration of the supporting electrolyte on the electrochemical characteristics of GdHCF were studied, and the results showed that the value of E^0′ increased linearly with the activity of the cationic ion of the supporting electrolyte (lga_Na⁺), with a slope of 54.1 mV, which may become a novel method for determining the activity of Na⁺ in solution. Further experimental results indicated that GdHCF had electrocatalytic activities toward the oxidation of dopamine (DA) and ascorbic acid (AA), and the electrocatalytic current increased linearly with the concentration of DA (or AA) in the range of 1.0–10.0 mmol·L^?1 (for DA) or 0.5–20.0 mmol·L^?1 (for AA).     

A model study for the steady state error of numerical approximations of inviscid flow equations on Cartesian grid

The widely used locally adaptive Cartesian grid methods involve a series of abruptly refined interfaces. In this paper we consider the influence of the refined interfaces on the steady state errors for second‐order three‐point difference approximations of flow equations. Since the various characteristic components of the Euler equations should behave similarly on such grids with regard to refinement‐induced errors, it is sufficient enough to conduct the analysis on a scalar model problem. The error we consider is a global error, different to local truncation error, and reflects the interaction between multiple interfaces. The steady state error will be compared to the errors on smooth refinement grids and on uniform grids. The conclusion seems to support the numerical findings of Yamaleev and Carpenter (J. Comput. Phys. 2002; 181: 280–316) that refinement does not necessarily reduce the numerical error. Copyright © 2005 John Wiley & Sons, Ltd.     

袁家骝和他的科学贡献

1 生平 美籍华人、世界著名高能物理学家袁家骝先生,于2003年2月11日下午在北京协和医院逝世,享年91岁[1].