用修正的TT势模型计算He-He原子间近程相互作用势

本文从原子间相互作用的物理本质出发,用修正的Tang-Toennies（TT）势模型计算了He-He原子间相互作用的van der Waals势．结果显示修正后的势模型在平衡间距附近及远程部分仍然给出了势能曲线的准确结果,在近程部分则较之TT势给出了与实验符合得更好的结果．     

惰性气体输运性质的理论计算

利用惰性气体原子间相互作用势,系统计算了5种惰性气体的输运系数,包括第二维里系数B、扩散系数D、热传导系数λ、黏滞系数η和热扩散因子αT的计算.从输运性质的计算证明了TangToennies势模型的准确性. 关键词： 惰性气体 TangToennies势模型 输运系数 计算     

Sr2RuO4的热电势

Sr2RuO4是第一个无CuO面的层状强关联氧化物超导体.测量了9至260K温度范围内Sr2RuO4的热电势,观测到在此温度范围内其热电势为正值.用两种载流子模型对实验数据进行了拟合,并且与Hall系数的实验结果进行了比较,发现低温下两种载流子对热电势和Hall系数的贡献比较类似,但在高温区空穴对热电势的贡献很大而相应地对Hall系数的贡献不占主要地位. 关键词： Sr2RuO4 热电势     

轴向磁场中线性热势模型电弧的螺旋不稳定性

采用线性热势电导率模型和与时间有关的线性微扰理论,给出了氢弧和其它气体中低电流弧的热势分布(温度分布)、稳定性条件以及不稳定性增长率等定量结果.与均匀电流分布比较,稳定性区域变大. 关键词：     

Ar—O2混合气体输运系数的量子力学计算

基于物理力学理论，利用量子力学的ＩＯＳＡ方法和Ａｒ－Ｏ２等效势模型计算了Ａｒ在Ｏ２气体中的扩散系数和粘滞系数，并将计算值与实验值进行了比较。     

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利用试验势法和平均半径-屏蔽电荷迭代法研究基于解析势的相对论和非相对论屏蔽类氢模型。通过对屏蔽电荷的计算和比较,证实平均半径-屏蔽电荷迭代法无论在效率上还是计算精度上优于试验势法。与More和Faussurier屏蔽类氢模型比较,在电子电离能、离子总能量和电子跃迁能量的计算结果精度方面,基于解析势的相对论性屏蔽类氢模型占有优势。     

纯稀有气体宏观性质的物理力学计算

在用Tang-Toennies势模型计算了稀有气体原子间相互作用势［1～3］的基础上,系统计算了五种纯稀有气体的宏观性质,包括第二维里系数B,扩散系数D,热传导系数λ,粘滞系数η和热扩散因子αT的计算。并与J.Kestin等人所计算的最佳值进行了比较,结果符合得较好,这就进一步从宏观性质的计算证明了TT势的准确性。     

原子掺杂对单元材料结晶能力的影响

2009年我们建立了一个凝结势模型用以预测材料形成单晶体的能力,表明单元体材料(Ni,Al,Cu,Ar,Mg)的结晶能力随凝结势的增大而单调增强.本文将凝结势模型应用于二元材料体系,并结合分子动力学模拟研究了6% Al原子掺杂对于Ni单晶材料结晶能力的影响.模拟结果发现,Al元素的掺杂会大大减弱Ni单晶的结晶能力,在此基础上提出了二元材料体系凝结势的定义,表明凝结势模型可广泛应用于预测二元体材料的结晶能力.     

钠原子高里德伯态跃迁的模型势研究

应用我们提出的ｋ系数方法［物理学报，４２（１９９３），７２７］，使用最弱受约束电子势模型下的简单解析波函数，我们系统研究了钠原子高里德伯态（ｎ～４０）间跃迁的振子强度与辐射寿命，所得振子强度及辐射寿命与可得到的其他作者的结果作了比较，表明了结合ｋ系数校正的最弱受约束电子势模型方法对于研究Ｎａ原子的高里德伯态性质的有效性，并在各种节点校正下，得到了对应于各跃迁类的节点校正规则     

考虑原子边界势修正的Thomas-Fermi状态方程

 本文尝试用另一种解析拟合势在TFL（Thomas-Fermi-Like）模型的状态方程计算中引入原子边界势不为零的修正，并将¹³Al原子状态方程的计算结果与TFD（Thomas-Fermi-Dirac）、TFS（Thomas-Fermi-Shell）和AA（Average-Atom）等模型的计算结果作了比较。     

A Survey of the Electron and Ion Transport Properties of SF6

A compilation of the available data on some of the basic transport properties of sulfur hexafluoride (SF6) is presented. The properties considered are a) electron ionization, attachment, detachment and diffusion coefficients, and electron drift velocity; b) positive and negative ion mobilities, negative ion diffusion, and ion-ion recombination coefficients; and c) secondary ionization coefficients. Approximate analytical representations of the data are also given.     

Emission characteristics of plasma of a transverse volume discharge in mixtures of helium, argon, and krypton with sulfur hexafluoride

The emission characteristics of the plasma of repetitively pulsed spontaneous UV-VUV radiation sources on the basis of ArF* (193 nm) and KrF* (249 nm) molecules, and the products of decomposition of sulfur hexafluoride molecules pumped by a transverse volume discharge in a mixture of inert gases with sulfur hexafluoride molecules have been investigated. The discharge emission spectra in the range of 190–780 nm at the low-current and high-current stages of the transverse discharge, the time characteristics of the voltage across the electrodes, the pump current, and the emission of excimer molecules and the products of decomposition of sulfur hexafluoride have been studied. It is shown that, in the gas-static operation mode of the radiator at the number of discharge pulses smaller than 10³, the 193-nm ArF* and 249-nm KrF* bands are main in the emission spectrum. Upon further operation of the radiator, a spectral continuum is formed on the basis of sulfur molecular bands in the range 260–550 nm.     

流注放电低温等离子体中电子输运系数计算的蒙特卡罗模型

流体或者粒子-流体混合数值仿真是研究流注放电基本物理机制的常用手段,而精确的电子输运系数是保证其仿真正确性的必要前提.鉴于现有电子输运系数求解工具存在一定缺陷,本文开发了采用蒙特卡罗方法求解低温等离子体中电子输运系数的仿真工具,测试表明其准确性和精确度均较高.研究了氮氧气体混合比及大气压下三体碰撞吸附对电子输运系数的影响.氮气中流注放电仿真表明,流体仿真中采用本模型改进后的电子输运系数可显著改善流注通道内部的等离子体参数分布.     

The interpretation of transport coefficients on the basis of the Van der Waals model: II. Extension to dilute gases

The Van der Waals model for transport properties which forms a very satisfactory basis for the interpretation of dense-gas transport-coefficient data, is applied to dilute gases to determine the effect of attractive forces between real molecules on the values of transport coefficients. It is found that experimental viscosity coefficient and thermal-conductivity coefficient data are lower than the values calculated by up to 40%. For the rare gases these differences are found to be related simply to the temperature and molar volume and expressions are given which reproduce the available experimental data generally to better than 2% over the whole density range.     

Lattice gas with “interaction potential”

We present an extension of a simple automaton model to incorporate nonlocal interactions extending over a spatial range in lattice gases. From the viewpoint of statistical mechanics, the lattice gas with interaction range may serve as a prototype for non-ideal-gas behavior. From the density fluctuations correlation function, we obtain a quantity which is identified as a potential of mean force. Equilibrium and transport properties are computed theoretically and by numerical simulations to establish the validity of the model at macroscropic scale.     

Features of the development of pulsed microwave discharges in various gases in a quasioptical beam

Photographs of pulsed microwave discharges initiated by a metallic sphere placed at the focus of a quasioptical electromagnetic beam with linear polarization of the field in air, sulfur hexafluoride, hydrogen, and helium under a pressure of several hundred Torr are presented. The common and distinctive features of the discharges in these gases are noted. Zh. Tekh. Fiz. 68, 33–36 (April 1998)     

Optical characteristics and plasma parameters of a blue-green exciplex lamp

The optical characteristics and plasma parameters of an exciplex lamp radiating in the blue-green spectral range are studied. A plasma is generated by an atmospheric-pressure barrier discharge initiated in a quaternary mixture including mercury dibromide, sulfur hexafluoride, nitrogen, and helium. It is shown that the exciplex lamp can radiate at an elevated repetition rate of pump pulses (1–12 kHz) under the conditions of mixture self-heating. A tradeoff between the radiation power and nitrogen partial pressure is found. The mean specific radiation power in the blue-green range at a level of 480 mW/cm³ is achieved at partial vapor pressures of mercury dibromide, sulfur hexafluoride, nitrogen, and helium of 0.70, 0.07, 4.00, and 117.20 kPa, respectively. The plasma parameters, namely, the electron energy distribution function; concentration, temperature, and mean energy of electrons; transport properties; and rate constants of elastic and inelastic electron scattering by the working mixture components are determined as functions of ratio E/N (where E is the electric field strength and N is the total concentration of mercury dibromide, sulfur hexafluoride, and nitrogen molecules and helium atoms). It is found that mercury monobromide molecules and also excited and higher energy states take part in the population of exciplex molecules HgBr* (B²Σ₁^2/+ states) in the course of quenching these exciplexes by sulfur hexafluoride and nitrogen molecules.     

惰性气体原子间相互作用势比较研究

原子间相互作用势是预测惰性气体输运性质的必要输入条件. 文章对描述惰性气体原子间相互作用的Lennard-Jones势、指数排斥势、Hartree-Fock-Dispersion-B (HFD-B)势和唯象势的形式和特点进行了分析. 基于Chapman-Enskog方法, 计算得到了惰性气体在300–5000 K温度区间内基于四种原子相互作用势的黏性和热导率, 并与文献报道的实验和理论计算结果进行了比较. 研究结果表明, 基于Hartree-Fock排斥理论与色散理论发展起来的HFD-B势能够合理反映惰性气体原子相互作用的趋势与特征, 因而可以较好地预测惰性气体的宏观输运性质.     

The inelastic contributions to transport collision integrals in the infinite-order sudden approximation

The transport collision integrals of the Wang Chang and Uhlenbeck kinetic theory of polyatomic gases have been evaluated for an anisotropic intermolecular pair potential model for the He-CO₂ interaction. The calculations have made use of the infinite-order sudden approximation to evaluate the state-to-state differential cross-sections, but otherwise involve no approximations.

The results indicate that some earlier approximate methods for the evaluation of the collision integrals are quantiatively correct, although they are given a new interpretation. In particular, the simplifications introduced by Mason and Monchick are shown to yield essentially the same collision integral for viscosity as the more exact treatment. On the other hand, several long established procedures for treating the transport properties of polyatomic gases and gas mixtures are shown to be significantly in error. Specifically the diffusion coefficient for internal energy is some 10 per cent higher than the diffusion coefficient for mass, and the latter itself quite different from that obtained on the basis of the treatment of Monchick and Mason.