考虑转动能的一维/二维Boltzmann-Rykov模型方程数值算法

研究考虑转动能的Boltzmann-Rykov模型方程,基于转动自由度对气体分子速度分布函数矩积分,引入约化速度分布函数,应用离散速度坐标法与数值积分技术,将气体运动论模型方程化为在离散速度坐标点处关于三个约化速度分布函数的联立方程组.应用拓展计算流体力学有限差分方法,数值计算考虑转动自由度的双原子气体一维、二维Boltzmann模型方程,得到高、低Knudsen数一维激波管内流动和二维竖直平板绕流问题的流场,分析验证考虑转动能的Boltzmann-Rykov模型方程全流域统一算法求解一维/二维气体流动问题的可靠性.结果表明,气体稀薄程度与分子内自由度对流场具有较大影响,且Knudsen数较高的稀薄气体流动呈现严重的非平衡流动特点.     

跨流域高超声速绕流环境Boltzmann模型方程统一算法研究

如何准确可靠地模拟从外层空间高稀薄流到近地面连续流的航天器高超声速绕流环境与复杂流动变化机理是流体物理的前沿基础科学问题. 基于对Boltzmann方程碰撞积分的物理分析与可计算建模, 确立了可描述自由分子流到连续流区各流域不同马赫数复杂流动输运现象统一的Boltzmann模型速度分布函数方程, 发展了适于高、低不同马赫数绕流问题的离散速度坐标法和直接求解分子速度分布函数演化更新的气体动理论数值格式, 建立了模拟复杂飞行器跨流域高超声速飞行热环境绕流问题的气体动理论统一算法. 对稀薄流到连续流不同Knudsen数0.002 ≤Kn_∞ ≤1.618、不同马赫数下可重复使用卫星体再入过程(110–70 km)中高超声速绕流问题进行算法验证分析, 计算结果与典型文献的Monte Carlo直接模拟值及相关理论分析符合得较好. 研究揭示了飞行器跨流域不同高度高超声速复杂流动机理、绕流现象与气动力/热变化规律, 提出了一个通过数值求解介观Boltzmann模型方程, 可靠模拟高稀薄自由分子流到连续流跨流域高超声速气动力/热绕流特性统一算法.     

气体运动论统一算法在跨流域转动非平衡效应模拟中的应用

从考虑转动松弛变化特性的Rykov模型出发,基于Boltzmann模型方程求解跨流域气体运动论统一算法原理与计算规则,采用转动惯量描述气体分子自旋运动,研究考虑转动非平衡影响的Boltzmann模型方程数值求解方法.通过对氮气激波结构、二维钝头体和三维尖双锥跨流域绕流的模拟分析,验证该算法的跨流域一致适用性.     

基于气体动理论的二维Karman涡街数值模拟

基于从稀薄流到连续流的跨流域气体动理论统一算法(gas-kinetic unified algorithm,GKUA),通过数值求解考虑转动自由度激发的Boltzmann-Rykov模型方程,得到了一种跨流域非定常流动数值模拟的方法.该求解方法以Boltzmann模型方程为控制方程,在常温状态下如果考虑转动能激发的情况...     

基于Boltzmann模型方程的气体运动论HPF并行算法

从修正的BGK-Blotzmann模型方程出发，引入离散速度坐标技术对气体分子速度分量进行离散降维，基于非定常时间分裂数值计算方法和无波动、无自由参数的NND耗散差分格式，发展直接求解气体分子速度分布函数的气体运动论有限差分数值格式，提出了一套能有效模拟各流域三维绕流问题的气体运动论统一算法，在分析研究气体运动论数值算法内在并行度的基础上，开展各流域三维绕流问题统一算法的HPF（高性能FORTRAN）并行化程度设计，建立一套能有效模拟各流域复杂外形体绕流的HPF并行算法软件，并进行了不同Knudsen(克努森）数下三维球体绕流及类“神舟号”返回舱外形体绕流的初步数值实验，将计算结果与过渡区有关实验数据及各流域气体绕流现象进行比较分析，证实了发展的气体运动论HPF并行算法在求解稀薄流到连续流不同流域复杂绕流问题方面的可行性。     

电子束泵浦氩中高能电子分布的理论计算

 改进了文献中报导的Boltzmann基本方程。与Boltzmann基本方程相比，改进后的Boltzmann方程更全面地描述了电子与基态氩原子碰撞的物理过程，并能计算出整个能量区间的电子分布。利用Boltzmann基本方程和改进的Boltzmann方程，对电子束泵浦氩中能量大于氩原子第一激发态能量(11.56eV)的高能电子分布函数进行了理论计算。计算中，选取了电子碰撞氩的微分电离截面和激发截面的解析表达式。对计算所得的稳态电子分布函数以及达到稳态分布所需的特征时间进行了分析和讨论。     

过渡区微尺度流动的有效黏性多松弛系数格子Boltzmann模拟

为提高采用二维九速离散速度模型的格子Boltzmann方法 (LBM)模拟微尺度流动中非线性现象的精度和效率,引入Dongari等提出的有效平均分子自由程对黏性进行修正(Dongari N,Zhang Y H,Reese J M2011 J.Fluids Eng.133 071101);并针对以往研究微尺度流动时采用边界处理格式含有离散误差的问题,采用多松弛系数格子Boltzmann方法结合二阶滑移边界条件,对微尺度Couette流动和周期性Poiseuille流动进行模拟,并将速度分布以及质量流量等模拟结果与直接模拟蒙特卡罗方法模拟数据、线性Boltzmann方程的数值解以及现有的LBM模型模拟结果进行对比.结果表明,相对于现有的LBM模型,引入新的修正函数所建立的有效黏性多松弛系数LBM模型有效提高了LBM模拟过渡区的微尺度流动中的非线性现象的能力.     

热化学非平衡流动的DSMC-ME算法研究

将最大熵方法(Maximum Entropy,缩写为ME)引入Direct Simulation Monte Carlo(DSMC)模拟热化学非平衡流动过程中,构造一个计算非平衡条件下化学反应几率和反应碰撞能量分配的最大熵模型.在DSMC-ME的模拟过程中,对分子间的非反应碰撞,采用传统的Larsen-Borgnakke唯象论模型模拟碰撞分子内能的激发与松弛;对分子间反应碰撞,采用最大熵模型模拟分子间的化学反应和能量交换.通过模拟高空高超声速绕圆柱和低密度高焓绕钝头锥体流动,并与DSMC算法和HEG实验结果比较,论证了DSMC-ME算法的有效性.     

非球形颗粒布朗运动的涨落-格子Boltzmann数值研究

采用涨落-格子Boltzmann方法对非球形颗粒(二维)的布朗运动进行直接数值模拟.数值结果包括椭圆形、矩形颗粒的速度均方值及速度自相关函数等.研究发现,对于非球形颗粒,其方向性并没有影响能量均分原理的适用性,每个自由度的能量由其速度或角速度的均方值确定,而且计算的颗粒平动温度和转动温度一致.此外,颗粒的速度自相关函数在相对长的时间内以~ct^-1的规律衰减,其系数c与颗粒的形状无关.     

用格子Boltzmann模型模拟垂直平板间的热对流

引入一个新的能量分布函数，利用该能量分布函数与粒子速度分布函数耦合来求解一个热流场. 因而，这一能量分布函数与粒子速度分布函数和Boltzmann方程构成了一个新的格子Boltzmann模型. 这一模型满足质量、动量和能量守恒的准则. 用该模型对垂直平板间的狭缝热对流进行了数值模拟，数值结果表明，在Prandtl数为1，Grashof数在1.3×10²—1×10⁶之间时，流场将出现多个旋涡结构的流型. 得出了与Lee相一致的结论. 关键词： 能量分布函数 Boltzmann方程 热对流     

Numerical Simulations of Unsteady Flows from Rarefied Transition to Continuum Using Gas-Kinetic Unified Algorithm

Numerical simulations of unsteady gas flows are studied on the basis of Gas-Kinetic Unified Algorithm (GKUA) from rarefied transition to continuum flow regimes. Several typical examples are adopted. An unsteady flow solver is developed by solving the Boltzmann model equations, including the Shakhov model and the Rykov model etc. The Rykov kinetic equation involving the effect of rotational energy can be transformed into two kinetic governing equations with inelastic and elastic collisions by integrating the molecular velocity distribution function with the weight factor on the energy of rotational motion. Then, the reduced velocity distribution functions are devised to further simplify the governing equation for one- and two-dimensional flows. The simultaneous equations are numerically solved by the discrete velocity ordinate (DVO) method in velocity space and the finite-difference schemes in physical space. The time-explicit operator-splitting scheme is constructed, and numerical stability conditions to ascertain the time step are discussed. As the application of the newly developed GKUA, several unsteady varying processes of one- and two-dimensional flows with different Knudsen number are simulated, and the unsteady transport phenomena and rarefied effects are revealed and analyzed. It is validated that the GKUA solver is competent for simulations of unsteady gas dynamics covering various flow regimes.     

气体声弛豫过程中有效比热容与弛豫时间的分解对应关系

声在多原子分子气体中传播所引起的弛豫过程是探索气体特性的重要方面. 本文通过研究气体声弛豫过程中振动自由度与平动自由度(V-T)以及振动自由度之间(V-V)的分子能量转移模型, 给出了有效比热容与弛豫时间的分解对应关系及其通用获得方法. 该分解模型与现有的声弛豫模型相比, 反映了分解后的V-T 和V-V弛豫过程中振动比热容与弛豫时间的对应关系, 并发现了较高能级是引起对应声弛豫过程的决定因素. 将基于该分解模型获得的气体声弛豫衰减谱经碰撞直径微调改进后, 比现有理论更接近实验数据, 其结果证明了该分解对应关系的正确性和合理性.     

Investigation of the glow and contracted discharge plasmas in nitrogen by coherent anti-Stokes Raman spectroscopy,optical interferometry,and numerical simulation

The translational temperature in the plasma of glow and contracted discharges is measured using the methods of coherent anti-Stokes Raman spectroscopy and optical interferometry. The current density in the discharge is determined by measuring the electron concentration with optical interferometry and emission spectroscopy. The distribution of nitrogen molecules over vibrational and rotational levels in the ground state, the electron energy distribution, and the time dependence of the gas temperature are numerically found based on a model including the homogeneous Boltzmann equation and balance equations for the concentrations of charged and excited particles and for the gas temperature. The dynamics of transition to the quasi-steady-state distribution of nitrogen molecules over vibrational levels is studied.     

Quadruply excited beryllium-like atoms – a semiclassical model

The semiclassical spectrum of quadruply highly excited four-electron atomic systems has been calculated for the plane model of equivalent electrons. The energy of the system consists of rotational and vibrational modes within the circular skeleton orbit approximation, as used in a previous calculation for the triply excited three-electron systems. The full dynamical analysis is carried out within the Hamiltonian theory, accounting for the inertial effects and the complete coupling between different degrees of freedom. Here we present numerical results for energy spectrum of the beryllium atom. The lifetimes of the semiclassical states are estimated via the corresponding Lyapunov exponents. The vibrational modes relative contribution to the energy levels rises with the degree of the Coulombic excitation.     

Back flux at polyatomic gas expansion for pulsed laser evaporation

The back flux value at polyatomic gas expansion under pulsed laser evaporation is determined on the basis of one-dimensional direct Monte Carlo simulation. Calculations are performed for a wide range of evaporated matter amount. Taking into account rotational and vibrational degrees of freedom substantially increases the back flux. Dependence of the back recondensed fraction on the relaxation collision number is shown. The data are generally in good agreement with available analytical predictions. Importance of consideration of energy transfer from the internal degrees of freedom to the translational ones is illustrated by an example of pulsed laser evaporation of polytetrafluoroethylene (PTFE) and polymethylmethacrylate (PMMA).     

Modeling of hydrogen ground state rotational and vibrational temperatures in kinetic plasmas

A dipole-quadrupole electron-impact excitation model, consistent with molecular symmetry rules, is presented to fit ro-vibronic spectra of the hydrogen Fulcher-α Q-branch line emissions for passively measuring the rotational temperature of hydrogen neutral molecules in kinetic plasmas with the coronal equilibrium approximation. A quasi-rotational temperature and quadrupole contribution factor are adjustable parameters in the model. Quadrupole excitation is possible due to a violation of the 1st Born approximation for low to medium energy electrons (up to several hundred eV). The Born-Oppenheimer and Franck-Condon approximations are implicitly shown to hold. A quadrupole contribution of 10% is shown to fit experimental data at several temperatures from different experiments with electron energies from several to 100 eV. A convenient chart is produced to graphically determine the vibrational temperature of the hydrogen molecules from diagonal band intensities, if the ground state distribution is Boltzmann. Hydrogen vibrational modes are long-lived, surviving up to thousands of wall collisions, consistent with multiple other molecular dynamics computational results. The importance of inter-molecular collisions during a plasma pulse is also discussed.     

强红外场作用下BCl3振动态传能动力学研究

基于文献[1],本工作在较高泵浦激光能通量范围,测量并研究了BCl₃分子振动激发v_3吸收谱及时间演变,观察了v₃激发弛豫的几种能量转移过程,以及对泵浦激光能量BCl₃气压等参数的依赖关系。表明泵浦光脉冲产生一个振动态非热分布的系综,转动能量转移对引起这种非热分布有重要作用。用简化碰撞动力学模型讨论了BCl₃振动激发吸收谱的演变过程,得到振动态再分布的简单关系;Pτ_v-v≌c/K′(T_v,T₀,q)和等效振动温度、平均吸收光子数的分析表达式,与实验结果定性地符合。 关键词：