一个高效的离散Boltzmann爆轰模型

构建一个适用于爆轰过程模拟的离散Boltzmann模型.该模型由一个离散Boltzmann方程和一个唯象反应率方程构成;在物理建模上,它等效于一个传统Navier-Stokes模型外加一个关于热动非平衡行为的粗粒化模型.与传统流体模型相比,它能够提供更多的动力学和动理学信息.该模型采用16个离散速度,相比于使用33个离散速度的模型具有更高的运算效率,模型中引入了额外自由度,通过调节额外自由度的数目,可以模拟各种不同比热比的爆轰.采用爆轰问题中的一些经典算例对所建立的模型进行数值验证.结果表明：该模型不仅对传统流体模型所能模拟的爆轰问题有效,而且能够用于一些传统流体模型不能描述的非平衡过程,有利于对爆轰问题的深入研究.     

可压流体Rayleigh-Taylor不稳定性的离散Boltzmann模拟

使用离散Boltzmann模型模拟了可压流体系统中多模初始情况下的Rayleigh-Taylor不稳定性.该离散Boltzmann模型等效于一个Navier-Stokes模型外加一个关于热动非平衡行为的粗粒化模型.通过模拟Riemann问题:Sod激波管、冲击波碰撞和热Couette流问题验证模型的有效性,所得数值结果与解析解一致.利用该模型对界面间断随机多模初始扰动的可压Rayleigh-Taylor不稳定性进行数值模拟研究,得到不稳定性界面演化过程的基本图像.由于黏性和热传导共同作用,一开始扰动界面被"抹平",演化较慢;随着模式互相耦合而减少,演化开始加速,并经历非线性小扰动阶段和不规则非线性阶段,而后发展成典型的"蘑菇状",后期进入湍流混合阶段.由于扰动模式的耦合与发展,轻重流体的重力势能、压缩能与动能相互转化,系统先是趋于热动平衡态,而后偏离热动平衡态以线性形式增长,接着再次趋于热动平衡态,最后慢慢远离热动平衡态.     

Discrete Boltzmann model for implosion- and explosion-related compressible flow with spherical symmetry

To kinetically model implosion- and explosion-related phenomena, we present a theoretical framework for constructing a discrete Boltzmann model (DBM) with spherical symmetry in spherical coordinates. To achieve this goal, a key technique is to use localCartesian coordinates to describe the particle velocity in the kinetic model. Therefore, geometric effects, such as divergence and convergence, are described as a “force term”. To better access the nonequilibrium behavior, even though the corresponding hydrodynamic model is one-dimensional, the DBM uses a discrete velocity model (DVM) with three dimensions. A new scheme is introduced so that the DBM can use the same DVM regardless of whether or not there are extra degrees of freedom. As an example, a DVM with 26 velocities is formulated to construct the DBM at the Navier–Stokes level. Via the DBM, one can study simultaneously the hydrodynamic and thermodynamic nonequilibrium behaviors in implosion and explosion processes that are not very close to the spherical center. The extension of the current model to a multiple-relaxation-time version is straightforward.     

A Multigrid-Solver for the Discrete Boltzmann Equation

This paper introduces a nonlinear multigrid solution approach for the discrete Boltzmann equation discretized by an implicit second-order Finite Difference scheme. For simplicity we restrict the discussion to the stationary case. A numerical example shows the drastically improved efficiency in comparison to the widely used Lattice–Bathnagar–Gross–Krook (LBGK) approach.     

Discrete Boltzmann Method with Maxwell-Type Boundary Condition for Slip Flow

The rarefied effect of gas flow in microchannel is significant and cannot be well described by traditional hydrodynamic models. It has been known that discrete Boltzmann model(DBM) has the potential to investigate flows in a relatively wider range of Knudsen number because of its intrinsic kinetic nature inherited from Boltzmann equation.It is crucial to have a proper kinetic boundary condition for DBM to capture the velocity slip and the flow characteristics in the Knudsen layer. In this paper, we present a DBM combined with Maxwell-type boundary condition model for slip flow. The tangential momentum accommodation coefficient is introduced to implement a gas-surface interaction model.Both the velocity slip and the Knudsen layer under various Knudsen numbers and accommodation coefficients can be well described. Two kinds of slip flows, including Couette flow and Poiseuille flow, are simulated to verify the model.To dynamically compare results from different models, the relation between the definition of Knudsen number in hard sphere model and that in BGK model is clarified.     

Lattice Boltzmann model for combustion and detonation

In this paper we present a lattice Boltzmann model for combustion and detonation. In this model the fluid behavior is described by a finite-difference lattice Boltzmann model by Gan et al. [Physica A, 2008, 387: 1721]. The chemical reaction is described by the Lee-Tarver model [Phys. Fluids, 1980, 23: 2362]. The reaction heat is naturally coupled with the flow behavior. Due to the separation of time scales in the chemical and thermodynamic processes, a key technique for a successful simulation is to use the operator-splitting scheme. The new model is verified and validated by well-known benchmark tests. As a specific application of the new model, we studied the simple steady detonation phenomenon. To show the merit of LB model over the traditional ones, we focus on the reaction zone to study the non-equilibrium effects. It is interesting to find that, at the von Neumann peak, the system is nearly in its thermodynamic equilibrium. At the two sides of the von Neumann peak, the system deviates from its equilibrium in opposite directions. In the front of von Neumann peak, due to the strong compression from the reaction product behind the von Neumann peak, the system experiences a sudden deviation from thermodynamic equilibrium. Behind the von Neumann peak, the release of chemical energy results in thermal expansion of the matter within the reaction zone, which drives the system to deviate the thermodynamic equilibrium in the opposite direction. From the deviation from thermodynamic equilibrium, Δ _m *, defined in this paper, one can understand more on the macroscopic effects of the system due to the deviation from its thermodynamic equilibrium.     

New Discrete Model Boltzmann Equations for Arbitrary Partitions of the Velocity Space

Modified discrete Boltzmann equations for arbitrary partitions of the velocity space are established. The new equations can be derived from the continuous Boltzmann equation and are a generalization of previous discrete-velocity models. They preserve mass, momentum, and energy, and an H-theorem holds. The new model equations are tested by comparing their solutions with the analytical ones of the continuous Boltzmann equation for the Krook–Wu and the very hard particle models.     

A Lattice Boltzmann Kinetic Model for Microflow and Heat Transfer

In this paper, we propose a lattice Boltzmann BGK model for simulation of micro flows with heat transfer based on kinetic theory and the thermal lattice Boltzmann method (He et al., J. Comp. Phys. 146:282, 1998). The relaxation times are redefined in terms of the Knudsen number and a diffuse scattering boundary condition (DSBC) is adopted to consider the velocity slip and temperature jump at wall boundaries. To check validity and potential of the present model in modelling the micro flows, two two-dimensional micro flows including thermal Couette flow and thermal developing channel flow are simulated and numerical results obtained compare well with previous studies of the direct simulation Monte Carlo (DSMC), molecular dynamics (MD) approaches and the Maxwell theoretical analysis     

Hydrodynamic and Thermodynamic Nonequilibrium Effects around Shock Waves: Based on a Discrete Boltzmann Method

A shock wave that is characterized by sharp physical gradients always draws the medium out of equilibrium. In this work, both hydrodynamic and thermodynamic nonequilibrium effects around the shock wave are investigated using a discrete Boltzmann model. Via Chapman–Enskog analysis, the local equilibrium and nonequilibrium velocity distribution functions in one-, two-, and three-dimensional velocity space are recovered across the shock wave. Besides, the absolute and relative deviation degrees are defined in order to describe the departure of the fluid system from the equilibrium state. The local and global nonequilibrium effects, nonorganized energy, and nonorganized energy flux are also investigated. Moreover, the impacts of the relaxation frequency, Mach number, thermal conductivity, viscosity, and the specific heat ratio on the nonequilibrium behaviours around shock waves are studied. This work is helpful for a deeper understanding of the fine structures of shock wave and nonequilibrium statistical mechanics.     

Continuous and Discrete Adjoint Approach Based on Lattice Boltzmann Method in Aerodynamic Optimization Part I: Mathematical Derivation of Adjoint Lattice Boltzmann Equations

The significance of flow optimization utilizing the lattice Boltzmann (LB) method becomes obvious regarding its advantages as a novel flow field solution method compared to the other conventional computational fluid dynamics techniques. These unique characteristics of the LB method form the main idea of its application to optimization problems. In this research, for the first time, both continuous and discrete adjoint equations were extracted based on the LB method using a general procedure with low implementation cost. The proposed approach could be performed similarly for any optimization problem with the corresponding cost function and design variables vector. Moreover, this approach was not limited to flow fields and could be employed for steady as well as unsteady flows. Initially, the continuous and discrete adjoint LB equations and the cost function gradient vector were derived mathematically in detail using the continuous and discrete LB equations in space and time, respectively. Meanwhile, new adjoint concepts in lattice space were introduced. Finally, the analytical evaluation of the adjoint distribution functions and the cost function gradients was carried out.     

Burgers-Korteweg-de Vries复合方程的格子Boltzmann方法模拟

针对Burgers-Korteweg-de Vries(cBKdV)复合方程提出一种格子Boltzmann模型.通过恰当地处理色散项u_xxx并运用Chapman-Enskog展开从格子Boltzmann方程推导出宏观方程,从而得到联系微观量与宏观量的局部平衡分布函数.对不同微分方程进行数值实验,数值解与解析解非常吻合,相比于其它数值结果,该格子Boltzmann模型的数值结果更精确,说明该数值模型的高效性.     

A Lattice Boltzmann Model and Simulation of KdV-Burgers Equation

A lattice Boltzmann model of KdV-Burgers equation is derived by using the single-relaxation form of the lattice Boltzmann equation. With the present model, we simulate the traveling-wave solutions, the solitary-wave solutions, and the sock-wave solutions of KdV-Burgers equation, and calculate the decay factor and the wavelength of the sock-wave solution, which has exponential decay. The numerical results agree with the analytical solutions quite well.     

Cole-Hopf Transformation Based Lattice Boltzmann Model for One-dimensional Burgers' Equation

In this paper,we present a Cole-Hopf transformation based lattice Boltzmann(LB) model for solving one-dimensional Burgers' equation,and compared to available LB models,the effect of nonlinear convection term can be eliminated.Through Chapman-Enskog analysis,it can be found that the converted diffusion equation based on the Cole-Hopf transformation can be recovered correctly from present LB model.Some numerical tests are also performed to validate the present LB model,and the numerical results show that,similar to previous LB models,the present model also has a second-order convergence rate in space,but it is more accurate than the previous ones.     

A Lattice Boltzmann Model and Simulation of KdV-Burgers Equation

A lattice Boltzmann model of KdV-Burgers equation is derived by using the single-relaxation form of the lattice Boltzmann equation. With the present model, we simulate the traveling-wave solutions, the solitary-wave solutions, and the sock-wave solutions of KdV-Burgers equation, and calculate the decay factor and the wavelength of the sock-wave solution, which has exponential decay. The numerical results agree with the analytical solutions quite well.     

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。     

燃烧系统的离散Boltzmann建模与模拟研究进展

燃烧系统的诸多模拟依托于流体建模, 离散Boltzmann方法(discrete Boltzmann method, DBM) 是近年来发展起来的一种新的流体介观建模方法. 本文简要评述DBM发展的两个方向——Navier-Stokes等偏微分方程的数值逼近解法和复杂系统的微介观动理学建模. 主要介绍在燃烧系统模拟方面DBM已有的工作、新近的思路、与传统流体建模的异同以及近期的研究成果. 本文重点传递的信息为: 作为复杂系统微介观动理学建模出现的DBM在模拟过程中同时给出“流动”及其相伴随的、关系最密切的那部分“热动”非平衡效应; 它为燃烧等复杂系统中各类非平衡行为的描述、非平衡信息的提取、非平衡程度的度量提供了一种简洁、有效的方法; 它所提供的热动非平衡测量量有两类: 一类是直接比较分布函数和平衡态分布函数的动理学矩关系得到的, 一类是来自于Chapman-Enskog多尺度分析给出的热传导和黏性项. 基于第二类DBM, 可以实现(燃烧等)一大类复杂流体系统的多尺度物理建模.     

A Lattice Boltzmann Model for Anisotropic Crystal Growth from Melt

We coupled the lattice Boltzmann method with enhanced collisions for hydrodynamics with a model for the anisotropic liquid/solid phase transition. The model is based on a simple reaction model. As a test we have performed calculations for dendritic growth of a crystal into an undercooled melt.     

对爆轰CJ模型和ZND模型合理性的讨论

 CJ模型和ZND模型未充分考虑爆轰过程中由于热量瞬时释放所带来的本质变化，它们所确定的爆轰终点状态是所有可能状态中熵值最低的，实现的概率极小。终点状态应该由热力学确定，ZND模型达不到热力学确定的平衡终态。爆轰模型应该同时符合流体力学定律和热力学定律。     

多孔介质内混溶流体间粘性指进现象的格子Boltzmann模型

提出一个模拟多孔介质内混溶流体间粘性指进现象的格子Boltzmann模型.采用双分布函数分别求解压力场和浓度场.在浓度场平衡态分布函数中引入与浓度扩散相关的参数.通过调节参数,使粒子碰撞过程中的松弛时间保持恒定.模拟了粘度相同的流体间的混相驱替问题.不同网格下的模拟结果均与解析解吻合良好,验证了模型的可行性.进一步研究粘度比和贝克莱数(Pe)对粘性指进现象的影响.结果显示,增大粘度比会促进"手指"的增长.当粘度比不变时,存在Pe的临界值.当Pe超过临界值时,"手指"前缘会出现分裂现象.对横向平均浓度场的研究显示,混合区域的长度随时间的变化分为两个阶段,它首先随着t^1/2成线性增长,然后随着t成线性增长.     

A lattice Boltzmann model for the generalized Burgers-Huxley equation

In this paper we develop a lattice Boltzmann model for the generalized Burgers-Huxley equation (GBHE). By choosing the proper time and space scales and applying the Chapman-Enskog expansion, the governing equation is recovered correctly from the lattice Boltzmann equation, and the local equilibrium distribution functions are obtained. Excellent agreement with the exact solution is observed, and better numerical accuracy is obtained than the available numerical result. The results indicate the present model is satisfactory and efficient. The method can also be applied to the generalized Burgers-Fisher equation and be extended to multidimensional cases.