The quadrupole–quadrupole polarizability of a non-magnetic molecule

The quadrupole–quadrupole polarizability of a molecule introduced by Buckingham is not a unique molecular property, in the sense that it depends on an arbitrary choice of the origin of the molecular coordinates. To obtain a physically acceptable form of this property for a non-magnetic molecule, a linear combination is taken of molecular polarizabilities of the relevant multipole order (electric octopole-magnetic quadrupole). By requiring this combination to possess the desired space–time and symmetry properties, as well as origin independence, an acceptable quadrupole–quadrupole polarizability is obtained. Expressions are presented for the components of this polarizability for molecules of certain symmetries.     

CASPT2 and CCSD(T) calculations of dipole moments and polarizabilities of acetone in excited states

The acetone molecule is investigated in its ground state and valence ^1,3n-π*, ^1,3π-π*, and ^1,3σ-π* excited states and Rydberg ^1,3n-3s, ^1,3π-3?, ^1,3n-3p_y and ^1,3π-3p_y states using the CASSCF, CASPT2, and CCSD(T) methods. Equilibrium geometries of excited states are obtained and their changes with respect to the ground state are discussed. For most excited states the C_2v symmetry of the ground state is lowered to the C_s symmetry. A series of valence vertical and adiabatic excitation energies is presented along with excitation energies for Rydberg states. The main body of the paper contains Finite-Field Perturbation Theory (FFPT) calculations of electric properties of the vertically as well as geometry relaxed excited states. Dipole moments of valence excited states decrease significantly upon excitation, being about one half of the ground state dipole moment. Polarizabilities usually change upon excitation much less (increase by about 30%) but hyperpolarizabilities are enhanced up to one or two orders of magnitude. The orientation of the dipole moment is reversed in some vertically excited Rydberg states. Properties of the ground and excited states are discussed considering alterations of the electronic structure and shifts in the geometry.     

An internally heated composite gasket for diamond-anvil cells using the pressure-chamber wall as the heating element

The implementation of a heating element to a composite gasket for high-temperature applications in the diamond-anvil cell was developed based on a double-gasket assemblage. The heating element is a thin platinum wall that covers the central borehole of the metal–ceramic–metal composite gasket and interconnects the two metal component parts of the gasket. Applying electric powers up to 35 W to the two gasket metal components result in ring-like heating around the sample inside the pressure chamber with temperatures exceeding ～2000 K in individual cases. The ring-like distribution of the maximum temperature located at the pressure-chamber wall facilitates a homogeneous temperature distribution at the sample position. As a consequence of the concentration of the heating power to the pressure chamber region, gradients of surface temperatures, both at the gasket and the diamond anvil, appear to be more pronounced compared with those known for classical external electrical heating. Apart from the tests of the mechanical stability on high-pressure operation in the diamond anvil cell at room temperature, the influence of the anvils in contact with the gasket on the characteristic power–temperature curves, temperature gradients and thermal equilibration resulting from changes in electrical power settings have been evaluated within the scope of a series of experimental investigations.     

不同沙粒底面下气泡脉动特性实验研究

通过高速摄影系统对电火花气泡与不同沙粒底面间的相互作用进行了实验研究,并改变气泡与沙粒底面之间的距离.实验结果表明:气泡在与沙粒底面的相互作用中会产生两种明显不同的现象,即形成与近刚性壁面类似的气泡射流以及“蘑菇状”气泡,“蘑菇状”气泡撕裂形成两个气泡,随后产生两个反方向的沿轴线方向的射流.沙粒底面边界具有刚性与弹性两种特征.另外,随着气泡与沙粒底面之间的距离d的增大,气泡脉动周期先增大然后减小,存在气泡脉动周期峰值.对于不同的沙粒底面边界,出现气泡脉动周期峰值的距离d随着沙底粒径的增大而越小.     

空间电荷效应对热场致发射中诺廷汉效应的影响

热场致发射阴极所产生的强流电子束具有很强的空间电荷效应,为研究该效应对热场致发射过程中诺廷汉（Nottingham）效应的影响机理,在理论分析的基础上,用数值方法研究了不同逸出功和多个外加电场条件下考虑空间电荷效应对诺廷汉效应结果的影响,并与不考虑空间电荷效应时的情形进行了对比. 结果表明：空间电荷效应的强弱会显著影响到阴极表面的稳态电场,进而对诺廷汉效应产生不可忽略的影响;当逸出功在3.0–4.52 eV、外加电场在3×10⁹–9×10⁹ V/m范围内时,考虑空间电荷效应的影响后,热场致发射电子所带走的平均能量较不考虑空间电荷效应时增加0–2.5 eV,且温度越高或外加电场越大时,该增加值越大;考虑空间电荷效应对诺廷汉效应的影响后,热场致发射电子从阴极带走的平均能量随外加电场的增加呈非线性下降规律;当阴极表面温度较高时,诺廷汉效应中的冷却效应随二极管间隙距离的变大而增强. 关键词： 热场致发射 诺廷汉效应 空间电荷效应 阴极表面电场     

Poly(butylene terephthalate‐co‐5‐tert‐butyl isophthalate) copolyesters: Synthesis,characterization, and properties

A series of poly(butylene terephthalate) copolyesters containing 5‐tert‐butyl isophthalate units up to 50 mol %, as well as the homopolyester entirely made of these units, were prepared by polycondensation from a melt. The microstructure of the copolymers was determined by NMR to be random for the whole range of compositions. The effect exerted by the 5‐tert‐butyl isophthalate units on thermal, tensile, and gas transport properties was evaluated. Both the melting temperature (T_m) and crystallinity were found to decrease steadily with copolymerization, whereas the glass‐transition temperature (T_g) increased and the polyesters became more brittle. Permeability and solubility slightly increased with the content in substituted isophthalic units, whereas the diffusion coefficient remained practically constant. For the homopolyester poly(5‐tert‐butyl isophthalate), all these properties were found to deviate significantly from the general trend displayed by copolyesters, suggesting that a different structure in the solid state is likely adopted in this case. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 92–100, 2005     

一种城市路灯合理排布的优化设计方法

文章借助于物理模型和数学计算分析，给出了一种优化的城市路灯排列的设计方法．利用该方法优化出的路灯排列方式（如三角型排列），与现在普遍采用的对称排列方式相比，可以在满足人们交通安全和正常工作生活的条件下，达到节省电力能源的效果；或者是在能源耗费相同的条件下，能提供更高、更均匀的照明度．     

泵控马达负载反馈半实物仿真测试系统

本系统的目的是在试验室内考查工程机械在现场的工作过程,用以考核、改进和设计液压系统,提高其性能和可靠性.本系统是用模拟控制器实时仿真工程机械的工作过程.本文着重介绍该模拟控制器与液压系统之间的电气接口,以及工程机械负载参数的测定方法.本系统结构简单,费用省,使用简便,易于推广,已在采煤机上应用成功.     

延边三角形降压起动的研究

本文对三相鼠笼式异步电动机以任意抽头的延边三角形降压起动的分析、研究，导出任意抽头的延边三角形降压起动转矩下降率与起动电流下降率之间的关系，并从理论上证明全压起动与星形─—三角形降压起动只是任意抽头延边三角形降压起动中两种特殊的起动形式。     

一种自组智能型单色仪

单色仅是一种利用色散元件把复色光分解为准单色光的光谱仪器，可用于各种光谱特性的研究。本文讨论一种自用的用微机控制色散元件的单色仪．从而实现单色仪的定标及使用的智能化。