Asymptotic behavior of energy band associated with a negative energy level

The mathematical foundation of the tight binding approximation is given. If ₀ is a negative energy level of a real potentialq, then there exists an energy band for a one-dimensional chain with period 2T of the same atoms which lies near ₀. We study this band whenT tends to infinity.On leave of absence from the Department of Physics, Leningrad State University, Leningrad, USSR.     

切削刀具倒棱刃口挤压力的理论计算

根据试验观察．揭出了刀具刃口带负倒棱时的切削模型。在此模型中,刀具刃口 存在一个“金属死区”。以新模型为基础．采用能量法,对高温、高应变率下刀具刃 口的挤压力进行了理论计算。所做工作的特点是：１）在材料变形分析中计入了挤压 层金属绕过刀具刃口时的过剩变形;２）进行有关材料变形与物理特性的计算时,考 虑了温度与应变率的影响。利用新研制的压电式切削测力仪进行验证试验,其结果表 明,理论计算值与实测数据较好一致。     

水准折光及双波长激光效应

本文从“同温度层不完全平行于地面,且在变化”的“任意分层”假设出发,导出了水准折光修正公式,并利用光的色散效应在10~(-6)的精度要求下,求得r=r_T=h_1/h_2=(n_(01)-1)/(n_(02)-1)=常数最后指出,研制双波长激光水准仪的必要性和可能性,并提出了研制此种仪器的技术参数.     

红外镜反射光谱的测试与解析

红外镜反射（infrared specular reflection，简称SR）光谱与被测样品和衬底的折射指数、吸收指数以及入射角有密切关系，往往由之产生畸变。要从红外镜反射技术测得的光谱处理得到人们熟悉的吸收光谱，需要经过较复杂的计算机数学处理。本文通过几个比较特殊的镜反射例子，以说明镜反射光谱的测试和解析必须注意多种影响因素。     

泡沫铅对VRLA电池负极活性物质结构及性能影响

0引言随着36V/42V汽车电源系统的提出,新一轮汽车用电池的竞争不断加剧。从目前情况看,铅酸电池由于具有成本低廉,使用可靠,原材料来源丰富,铅回收率可高达98%等优点,因此成为电动车电源最实际的选择之一[1]。但作为电动车用电池,需要克服其比能量低、充电接受能力差和负极硫酸盐化等缺点。为此各国科学家开展了大量的研究工作。最近报道用铸造多孔体作为敞口铅酸电池的集流体,它的比表面积为14cm2·cm-3,正极活性物质利用率上升到50%,远高于传统的铸造板栅[2]。在铅酸电池集流体研究领域里另一个重大进步,就是以R V C(R etic-ulated V i…     

Structural and electrochemical studies of annealed LiNiVO4 thin films

We prepared stoichiometric lithium nickel vanadate amorphous thin films by using r.f. magnetron sputtering under controlled oxygen partial pressure. The amorphous films were heated at various temperatures, 300–600 °C, for 8 h. The as‐deposited and annealed thin films were characterized by Rutherford backscattering spectroscopy, nuclear reaction analysis, Auger electron spectroscopy, X‐ray diffraction, scanning electron microscopy and atomic force microscopy. The electrochemical behavior of the various films was studied by the galvanostatic method. The cells were tested in a liquid electrolyte at room temperature, with lithium metal used as the counter and reference electrode. The best electrochemical storage value was obtained with the thin film annealed at 300 °C, which showed superior capacity and small capacity loss during cycling. Copyright © 2007 John Wiley & Sons, Ltd.     

Kinetic model of a DC oxygen glow discharge

A simple kinetic model predicting the concentration of oxygen atoms, metastable singlet molecules O₂(a ¹) and negative ions O — in the positive column of a DC glow discharge is developed. The calculated O and O₂(a ¹) concentrations are compared to previously reported measurements for pressuresp=0.2–2 Torr and discharge currentsI=10–80 mA. The electron density calculated from the continuity equationj=n _e e v _d agrees well with experiment. The rate coefficients for electron impact processes used in the balance equations of O, O₂(a ¹), and O^– were taken from the literature as a function of the reduced electric fieldE/N forE/N=40–80 Td. A reasonable agreement is obtained between the model and the experiment with a set of 10 reactions for the production and destruction of the above-mentioned species     

Synthesis of photoreactive polyimide having indan structure

Polyimide containing an indan unit and alkyl moiety with a high molecular weight was prepared from 5,7‐diamino‐1,1,4,6‐tetramethylindan and 3,3′,4,4′‐benzophenone tetracarboxylic dianhydride. This polyimide was amorphous and soluble in common organic solvents, such as tetrahydrofuran, chloroform, and cyclopentanone. Thermogravimetry of the polyimide showed good thermal stability, indicating that a 10% weight loss of the polyimide was observed at 500 °C in nitrogen. The glass‐transition temperature of the polyimide was not observed by DSC measurement between room temperature and 400 °C at a heating rate of 10 °C/min (Apparatus: DSC3100 MAC Science Co., Ltd.). Transparency of the polyimide at 365 nm was 80%. The polyimide acted as a photosensitive resist of negative type by UV radiation. The resist had a sensitivity of 31 mJ/cm² and a contrast of 2.3 when it was developed with cyclopentanone at room temperature. © 2001 John Wiley & Sons, Inc. J Polym Sci Part A: Polym Chem 40: 423–428, 2002     

THERMODYNAMIC STUDY OF ADSORPTION OF PHENOLIC COMPOUNDS FROM AQUEOUS SOLUTION BY A WATER-COMPATIBLE HYPERCROSSLINKED POLYMERIC ADSORBENT

Equilibrium data for the adsorption of phenolic compounds, i.e., phenol, p-cresol, p-chlorophenol and p-nitrophenol from aqueous solutions by a water-compatible hypercrosslinked polymeric adsorbent (NJ-8) within temperature range of 283-323 K were obtained and correlated with a Freundlich-type of isotherm equation, so that equilibrium constants KF and n were obtained. The capacities of equilibrium adsorption for all the four phenolic compounds on the NJ-8 from aqueous solutions are around 2 times as high as those of Amberlite XAD-4, which may be attributed to the unusual micropore structure and the partial polarity on the network. The values of the enthalpy (always negative) are indicative of an exothermic process, which manifests the adsorption of all the four phenolic compounds on the two polymeric adsorbents to be a process of physical adsorption. The negative values of free energy change show that the solute is more concentrated on the adsorbent than in the bulk solution. The absolute free energy values of adsorption for NJ-8 are always higher than those for Amberlite XAD-4, which indicates that phenolic compounds are preferentially adsorbed on NJ-8. The negative values of the adsorption entropy are consistent with the restricted mobilities of adsorbed molecules of phenolic compounds as compared with the molecules in solution. The adsorption entropy values of phenolic compounds for NJ-8 are lower than those for Amberlite XAD-4, which means the micropores of NJ-8 require more orderly arranged adsorbate.     

Analyzing Anisotropic Exchange in a Pentanuclear Os2Ni3 Complex

Spin Hamiltonian parameters of a pentanuclear Os Ni cyanometallate complex are derived from ab initio wave function based calculations, namely valence-type configuration interaction calculations with a complete active space including spin-orbit interaction (CASOCI) in a single-step procedure. While fits of experimental data performed so far could reproduce the data but the resulting parameters were not satisfactory, the parameters derived in the present work reproduce experimental data and at the same time have a reasonable size. The one-centre parameters (local matrices and single-ion zero field splitting tensors) are within an expected range, the anisotropic exchange parameters obtained in this work for an Os−Ni pair are not exceedingly large but determine the low-T part of the experimental χT curve. Exchange interactions (both isotropic and anisotropic) obtained from CASOCI have to be scaled by a factor of 2.5 to obtain agreement with experiment, a known deficiency of such types of calculation. After scaling the parameters, the isotropic Os−Ni exchange coupling constant is cm⁻¹ and the D parameter of the (nearly axial) anisotropic Os−Ni exchange is ⁻¹, so anisotropic exchange is larger in absolute size than isotropic exchange. The negative value of the isotropic J (indicating antiferromagnetic coupling) seemingly contradicts the large-temperature behaviour of the temperature dependent susceptibility curve, but this is caused by the negative g value of the Os centres. This negative g value is a universal feature of a pseudo-octahedral coordination with configuration and strong spin-orbit interaction. Knowing the size of these exchange interactions is important because Os(CN) is a versatile building block for the synthesis of / magnetic materials.