局域热力学平衡态空气电弧等离子体输运参数计算研究

空气电弧等离子体的物性参数为空气电弧放电过程的仿真提供了可靠的微观理论基础和参数输入. 假定体系处于局域热力学平衡态, 基于Chapman-Enskog理论, 采用Sonine多项式三级展开(对黏滞系数采用二级展开) 得到的输运参数表达式, 数值计算得到了不同气压条件下(0.1 atm-20 atm, 1 atm = 1.01325×10⁵ Pa)、 不同温度范围内(300-30000 K) 空气电弧等离子体的输运参数(扩散系数、黏滞系数、热导率、电导率). 与以往的理论研究相比, 最新的相互作用势和碰撞截面研究成果被应用到涉及粒子的碰撞积分计算中, 提高了输运参数计算结果的精度和可靠性.     

氩-碳-硅等离子体热力学性质和输运系数计算

计算了广温度范围(300—30000 K)和广压力范围(0.1—10 atm, 1 atm=101.325 k Pa)下,不同混合物比例、碳和硅蒸气浓度的局域热力学平衡(LTE)和化学平衡(LCE)的氩-碳-硅等离子体组分、热力学性质和输运系数.等离子体气相平衡组分使用质量作用定律计算,同时凝聚相组分采用相平衡的方法计算.输运系数的计算包括黏度、电导率和热导率,使用拓展到高阶近似的Chapman-Enskog方法.采用文献中较新的数据得到了较为准确的碰撞积分,导出了Ar-C-Si等离子体的输运系数.结果表明,在相变温度以下,凝聚态物种的引入导致Ar-C-Si等离子体的热力学性质、输运系数与纯Ar等离子体接近,在相变温度点则会产生不连续点.压力、碳/硅蒸气浓度和比例对等离子体热力学性质和输运系数具有较大影响.最终计算值与文献数据对比符合良好,有望为氩-碳-硅等离子体传热流动数值模拟提供基础数据.     

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     

强磁场下的输运过程与Liouville方程的两种定态解

本文中讨论了在外场中Liouville方程的两种定态解,指出在用Kubo公式计算输运系数时的关键之处是:在完成Kubo公式中的时间积分之前,必须把关联函数的时间行为表示成趋向平衡的形式。注意到这一点就能得到正确的输运系数表示式。用这种办法,我们重新计算了文献[1]中曾讨论过的强磁场下的电导率,得到了正确的非零的结果。 关键词：     

低能轻离子输运的单参数描述

低能离子输运的一个重要特点是它有可能被一个简单的参数所确定，我们发现离子的标度输运截面即是具有这种重要性质的参数。这种单值对应关系反映了不同能量的不同靶一离子的组合在输运上的内在相似性。本文给出了标度输运截面的定义，讨论了此标度参数标定离子输运行为的理论依据。同时通过应用离子输运双群模型所作的大量计算检验了单参数标定离子输运行为这一结论。最后给出以标度输运截面为自变量的离子反射系数和平均投影射程的经验公式。 关键词：     

超越阿贝尔优势近似和色等离子体的输运系数计算

给出了一种超越阿贝尔优势近似求解夸克胶子等离子体输运方程的方法，并用它计算了夸克、反夸克等离子体的输运系数，讨论了输运系数的非阿贝尔修正．     

电子散射和能量分配方式对电子输运系数的影响

电子输运系数是确保低温等离子体建模准确性的关键因素,通过模拟电子的输运过程可对其数值求解.在模拟电子输运时,电子和中性粒子碰撞后的散射和能量分配方式有多种处理方法.为了研究不同处理方法对电子输运系数的影响,本文基于蒙特卡罗碰撞方法,建立了电子输运系数的计算模型,模拟约化电场10—1000 Td (1 Td=10~(–21) V·m~2)氢原子气中的电子输运过程.计算结果表明,各向同性假设对电子输运系数的影响随电场强度增加而增加,但即使对于较低的约化电场(10 Td),各向异性散射假设下电子的平均能量、通量迁移率和通量扩散系数也分别比各向同性假设下的值高38.34%, 17.38%和119.18%.不同的能量分配方式对中高电场强度下( 200 Td)的电子输运系数影响较为显著.在高电场时,均分法计算得出的电子平均能量、通量迁移率和通量扩散系数均小于零分法对应的值,汤森电离系数则相反. Opal法得出的电子输运系数介于均分法和零分法之间.此外,考虑各向异性散射时,不同能量分配方式对输运系数的影响高于各向同性.本研究表明,在计算电子输运系数时需要考虑各向异性的电子散射,高电场条件下尤其要注意能量分配方式的选择.     

利用离子输运的标度特性计算离子在固体中的射程分布

利用低能轻离子在固体中的输运量可近似由离子标度输运截面单值描述这一标度特性,取得了计算低能轻离子在重靶中射程分布的普适公式,具体地,在用离子输运双群模型计算得到射程分布前四阶矩后,建立这些与标度输运截面之间的近似单值对应关系,在此基础上,拟合得到计算射程分布的前四阶矩以及射程分布的公式.通过与实验值和MonteCarlo计算结果的比较,检验了本文给出的普适公式.利用本文的结果可以较好描述低能轻离子在固体中的射程分布,同时又有很高的计算效率. 关键词：     

电激励Ne-Xe-HCl混合物的电子能量分布函数和输运系数

用解波尔兹曼输运方程的方法计算了电激励Ne-Xe-HCl混合物的电子能量分布函数和有关的输运系数,并对计算结果作了讨论。     

基于分子动力学模拟流体输运性质的稳定性分析

利用线性响应理论对Ar流体输运参数进行了分子动力学模拟,结果发现:导热系数和黏度会随着自相关积分函数积分时间的增加而产生剧烈波动,而扩散系数却相对稳定. 针对积分稳定性这一问题,对导热系数和黏度中的热流密度和应力张量进行了分解分析,发现含分子间作用力项是影响稳定性的最大因素. 从牛顿力学出发对作用力项的影响机理进行了分析,指明减小这种影响的最主要方法是使在体系进行统计输运参数前达到稳定平衡状态,即最小的预平衡步数应该满足使体系达到该状态下熵最大或者能量最低,并尽量减小温度对体系的影响. 同时,还对模拟盒尺寸、统计步长等因素对积分稳定性的影响进行了分析,给出了保持稳定性的建议. 关键词： 分子动力学 输运性质 自相关函数 稳定性     

Data and modeling of negative ion transport in gases of interest for production of integrated circuits and nanotechnologies

We review techniques to prepare, evaluate and apply sets of cross section and transport data for negative ions that are required for the modeling of collisional non-equilibrium plasmas used for processing of microelectronic circuits. We collect and discuss the transport coefficients and cross section sets.We have compiled data for negative ions in CF₄ and CF₄-related negative ions in rare gases. In addition, we consider data for F⁻ and CF₃⁻ in rare gases. Furthermore, we analyze the cross sections of halogen negative ions in rare gases and other molecules. This is followed by the data for SF₆ related ions in SF₆ and in rare gases. The cross section for scattering of O⁻ in O₂ has been derived from the transport data and used to make calculations of the transport properties. Finally we give a brief discussion of the availability of the data for H⁻ ions in H₂. We have derived cross sections in several cases but the basic aim is to show the basic features of transport coefficients. In particular we discuss the need to represent properly some details such as the non-conservative nature of transport coefficients and the anisotropy of diffusion. Application of approximate theories and representations of cross sections are also discussed.     

On relativistic kinetic gas theory: XVI. The temperature dependence of the transport coefficients for a simple gas of hard spheres

Analytical and numerical results are obtained for the first three approximations to the transport coefficients of a simple gas consisting of massive particles with constant differential cross section. The complete temperature regime is studied, while special attention is paid to both the weakly-relativistic and the ultra-relativistic limiting cases. The behaviour of the successive approximations indicates that the series for the transport coefficients converge in a satisfactory way over the whole temperature range.     

Strong coupling effects in the transport equation for deeply inelastic heavy-ion collisions

The appearance of strong coupling effects in the transport equation for deeply inelastic heavy-ion collisions is examined in the framework of a one-dimensional model. An analytical solution for the Greens function shows that in a deeply inelastic collision the system is in the strong-coupling regime for the bulk of the interaction. An analytical method is presented for evaluating the transport coefficients which can equally be applied to the three-dimensional case. The transport coefficients and cross sections are calculated and the dependence of the results on the parameters of the underlying random-matrix model is displayed.     

Cross sections and transport properties of Cl<Superscript>-</Superscript> ions in noble gases

We have used a simple semi-analytic — momentum transfer theory (MTT) to develop negative halogen ions/noble gases momentum transfer integral cross sections based on the available data for reduced mobility at 300 K as a function of E/N. The unfolded cross sections were validated or further improved by assuring a good agreement between our Monte Carlo (MC) calculated transport data and the available experimental results. The data are produced with an aim to provide plasma modellers with cross section data and transport coefficients. We have also calculated the net rates of elastic scattering and detachment.     

Quantum statistical effects in nuclear reactions,fission, and open quantum systems

Quantum diffusion equations with time-dependent transport coefficients are derived from generalized non-Markovian Langevin equations. Generalized fluctuation-dissipation relations and analytical formulas for calculating friction and diffusion coefficients in nuclear processes are obtained. The asymptotics of the transport coefficients and of the correlation functions are investigated. The problem of correlation decay in quantum dissipative systems is studied. A comparative analysis of diffusion coefficients for the harmonic and inverted oscillators is performed. The role of quantum statistical effects during passage through a parabolic potential barrier is investigated. Sets of diffusion coefficient assuring the purity of states at any time instant are found in cases of non-Markovian dynamics. The influence of different sets of transport coefficients on the rate of decay from a metastable state is studied in the framework of the master equation for reduced density matrices describing open quantum systems. The approach developed is applied to investigation of fission processes and the processes of projectile-nuclei capture by target nuclei for bombarding energies in the vicinity of the Coulomb barrier. The influence of dissipation and fluctuation on these processes is taken into account in a self-consistent way. The evaporation residue cross sections for asymmetric fusion reactions are calculated from the derived capture probabilities averaged over all orientations of the deformed projectile and target nuclei.     

A collisional approach to the calculation of time correlation functions. Transport coefficients of gases

A method of successive approximations is proposed for the evaluation of the time-correlation functions such as those that give the thermal transport coefficients of gases. The method is based on a calculation of the changes in correlations of appropriate functions of the molecular velocity which are a result of collisions in the gas. The decaying rates of the correlations are expressed as integrals of the differential collision cross section. When the first approximation is introduced in the expressions for thermal transport coefficients, results are obtained for the coefficient of binary diffusion and the viscosity and thermal conductivity of single-component systems which are identical with those of the first Chapman-Enskog solutions of the Boltzmann and Enskog equations. For the coefficients of viscosity and thermal conductivity in multicomponent systems, it is shown that the first approximation leads to expressions of the form of the Sutherland and Wassiljewa relations, respectively.     

Light-induced cross transport phenomena in a single-component gas

The cross transport processes that occur in a single-component gas in a capillary and are caused by resonance laser radiation and pressure and temperature gradients are studied. An expression for entropy production is derived using a system of kinetic Boltzmann equations in a linear approximation. The kinetic coefficients that determine the transport processes are shown to satisfy the Onsager reciprocal relations at any Knudsen numbers and any character of the elastic interaction of gas particles with the capillary surface. The light-induced baro- and thermoeffects that take place in a closed heat-insulated system in the field of resonance laser radiation are considered. Analytical expressions are obtained for the Onsager coefficients in an almost free-molecular regime. The light-induced pressure and temperature gradients that appear in a closed heat-insulated capillary under typical experimental conditions are numerically estimated.     

硅烷与硅的质量衰减截面实验测量

用高能质子激发单元素靶或化合物靶产生的特征X射线源,系统地测量了1.486—15.165千电子伏能区里硅烷和8.041—29.109千电子伏能区里硅元素的质量衰减系数.不仅在实验上验证了布喇格相加规则在气体化合物中的适用性,而且得到了1.4一6千电子伏能区里硅元素的质量衰减截面,从而填补了硅元素在该能区的数据空白.从实验测得的总截面中减去康普顿散射和漫散射截面,便得到硅元素的光电截面值,并与理论值进行了比较. 关键词：     

Application of the theory of open quantum systems to nuclear physics problems

Quantum diffusion equations with transport coefficients explicitly depending on time are derived from the generalized non-Markovian Langevin equations. The asymptotic behavior of the friction and diffusion coefficients is investigated in the case of the FC and RWA couplings between the collective and internal subsystems. An asymptotic expression is obtained for the propagator of the density matrix of the open quantum system with the general quadratic Hamiltonian, linearly coupled (in coordinate and momentum) to internal degrees of freedom. The effect of different sets of transport coefficients on the decoherence and decay rate of the metastable state is investigated using the master equation for the reduced density matrix of open quantum systems. The developed approach is used to study the capture of the projectile nucleus by the target nucleus at energies near the Coulomb barrier. Capture cross sections in asymmetric reactions are well described with allowance for the calculated capture probabilities. Particular cases where dissipation favors penetration through the potential barrier are found. The generalized Kramers formula for the quasi-stationary decay rate of the quantum metastable systems is analytically derived.