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.     

非平衡与多相复杂系统模拟研究—Lattice Boltzmann 动理学理论与应用

在自然界和工程物理领域存在大量的非平衡、多相等复杂系统和复杂行为。Lattice Boltzmann (LB) 方法起源于复杂系统复杂行为研究的格子气或元胞自动机模型;其中,现代版 的Lattice Boltzmann Kinetic Model (LBKM) 植根于非平衡统计物理学的基本方程—Boltzmann 方 程。本文从物理学视角评述LB 方法,给出单松弛因子和多松弛因子LBKM 构建的统一理论,介 绍其在非平衡与多相复杂系统研究方面的应用。简单列举LB 在多相流、可压流、材料动理学等 方面的进展,重点介绍使用LB 研究流体界面不稳定性、燃烧等问题的工作。本文所重点传递的 信息为：可以通过宏观量研究系统的非平衡行为、可以提供系统偏离热力学平衡引发的宏观效应 是LBKM 建模优越于宏观连续介质建模的地方;除了可以从更基本的层面理解相应物理系统的 特征、机制和规律外,这类研究结果可以为现有程序或软件中宏观模型的改进（例如修正项的构 造）提供物理参考。     

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.     

热动力学格子Boltzmann模型

提出了一类热动力学格子Boltzmann模型,其分布函数中含有内能项与高阶速度项。以三个HPP模型为基础,建立了一个三迭加HPP格子Boltzmann模型,并给出其局部平衡分布函数。设计了热动力学现象模拟中的外力处理方法和温度边界条件处理方法,用该模型成功地模拟了Benard热对流现象。     

复杂而有序的软物质

 法国物理学家德·热纳(P. G. De Gennes)(图1)在1991 年获得诺贝尔物理奖时,以“软物质”为题演讲,首次用“软物质”一词概括所有“软”的东西,包括普通的流体和当时美国学者惯常称呼的“复杂流体”,从此推动了一门21 世纪跨越物理、化学和生物三大学科的重要交叉学科的发展。     

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.     

含振动能激发Boltzmann模型方程气体动理论统一算法验证与分析

为模拟研究高温高马赫数下多原子气体内能激发对跨流域非平衡流动的影响,将转动能、振动能分别作为气体分子速度分布函数的自变量,把转动能和振动能处理为连续分布的能量模式,将Boltzmann方程的碰撞项分解成弹性碰撞项和非弹性碰撞项,同时将非弹性碰撞按一定松弛速率分解为平动-转动能松弛过程和平动-转动-振动能松弛过程,构造了一类考虑振动能激发的Boltzmann模型方程,并证明了其守恒性和H定理.基于内部能量变量对分布函数无穷积分,引入三个约化速度分布函数,得到一组考虑振动能激发的约化速度分布函数控制方程组,使用离散速度坐标法,基于LU-SGS隐式格式和有限体积法求解离散速度分布函数,建立含振动能激发的气体动理论统一算法.通过开展高稀薄流到连续流圆柱绕流问题统一算法与直接模拟蒙特卡罗法模拟结果对比分析,特别是过渡流区平动、转动、振动非平衡效应对绕流流场与物面力热特性的影响机制,证实了所建立的含振动能激发的Boltzmann模型方程及气体动理论统一算法的准确可靠性.     

“介观”物理中的量子弹道输运和相干输运

 随着分子束外延技术的进步以及光学和电子束微刻技术的日臻完善,目前人们已能制造具有高电子迁移率的亚微米尺度的微结构器件。在毫K的低温下,高迁移率材料中的电子,接连两次非弹性散射间所走过的平均距离,称作电子的相位相干长度,可达到微米以上,超过微结构的尺度。这种系统的物理性质完全受电子的量子力学相干性所支配。由此,物理学中又开辟了一个新的分支领域,即“介观”(mcsoscopic)物理学。所谓“介观”系统,是指它的尺度与宏观系统相比显得足够小,但与原子-分子系统相比又足够大,是介于两者之间。“介观”系统中的电子输运过程,不能够用通常的求宏观系统的统计平均的方法来处理,而是表现为量子相干输运和量子弹道输运。     

一个三维多松弛时间全速域格子Boltzmann模型

构建一个既适用于低速不可压流体又适用于高速可压缩流体的三维自由参数多松弛时间格子Boltzmann模型.模型中,根据SO（3）群的不可约表述基函数构造转化矩阵,根据恢复可压Navier-Stokes方程的需要选取非守恒矩平衡值.通过von Neumann稳定性分析模型参数对数值稳定性的影响,并给出建议选择范围.模型经过基准问题的验证,模拟结果与解析解及其它数值结果符合较好.     

基因转录调控系统中的色噪声诱导转化研究

研究了基因转录调控系统中的色噪声诱导蛋白质浓度转换现象. 据Novikov定理和Fox近似方法得到相应的Fokker-Planck方程, 给出稳态概率分布函数、蛋白质浓度平均值及其平均首通时间的近似表达式, 分析了噪声的自关联时间对稳态概率、平均值和平均首通时间的影响. 研究表明, 分解率的噪声的自关联时间引起蛋白质的浓度经历了“关”→“开”的转换; 合成率的噪声的自关联时间引起蛋白质的浓度经历了“开”→“关”转换. 然而, 随着两种自关联时间的增大, 平均首通时间增大, 即蛋白质浓度之间的转换变得困难. 数值模拟结果与理论预测基本符合. 关键词： 色噪声 基因转录调节系统 转换     

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.     

Influence of the tangential velocity on the compressible Kelvin−Helmholtz instability with nonequilibrium effects

Kelvin−Helmholtz (KH) instability is a fundamental fluid instability that widely exists in nature and engineering. To better understand the dynamic process of the KH instability, the influence of the tangential velocity on the compressible KH instability is investigated by using the discrete Boltzmann method based on the nonequilibrium statistical physics. Both hydrodynamic and thermodynamic nonequilibrium (TNE) effects are probed and analyzed. It is found that, on the whole, the global density gradients, the TNE strength and area firstly increase and decrease afterwards. Both the global density gradient and heat flux intensity in the vertical direction are almost constant in the initial stage before a vortex forms. Moreover, with the increase of the tangential velocity, the KH instability evolves faster, hence the global density gradients, the TNE strength and area increase in the initial stage and achieve their peak earlier, and their maxima are higher for a larger tangential velocity. Physically, there are several competitive mechanisms in the evolution of the KH instability. (i) The physical gradients increase and the TNE effects are strengthened as the interface is elongated. The local physical gradients decrease and the local TNE intensity is weakened on account of the dissipation and/or diffusion. (ii) The global heat flux intensity is promoted when the physical gradients increase. As the contact area expands, the heat exchange is enhanced and the global heat flux intensity increases. (iii) The global TNE intensity reduces with the decreasing of physical gradients and increase with the increasing of TNE area. (iv) The nonequilibrium area increases as the fluid interface is elongated and is widened because of the dissipation and/or diffusion.     

Specific heat ratio effects of compressible Rayleigh–Taylor instability studied by discrete Boltzmann method

Rayleigh–Taylor (RT) instability widely exists in nature and engineering fields. How to better understand the physical mechanism of RT instability is of great theoretical significance and practical value. At present, abundant results of RT instability have been obtained by traditional macroscopic methods. However, research on the thermodynamic non-equilibrium (TNE) effects in the process of system evolution is relatively scarce. In this paper, the discrete Boltzmann method based on non-equilibrium statistical physics is utilized to study the effects of the specific heat ratio on compressible RT instability. The evolution process of the compressible RT system with different specific heat ratios can be analyzed by the temperature gradient and the proportion of the non-equilibrium region. Firstly, as a result of the competition between the macroscopic magnitude gradient and the non-equilibrium region, the average TNE intensity first increases and then reduces, and it increases with the specific heat ratio decreasing; the specific heat ratio has the same effect on the global strength of the viscous stress tensor. Secondly, the moment when the total temperature gradient in y direction deviates from the fixed value can be regarded as a physical criterion for judging the formation of the vortex structure. Thirdly, under the competition between the temperature gradients and the contact area of the two fluids, the average intensity of the non-equilibrium quantity related to the heat flux shows diversity, and the influence of the specific heat ratio is also quite remarkable.     

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.     

A One-Dimensional Discrete Boltzmann Model for Detonation and an Abnormal Detonation Phenomenon

A one-dimensional discrete Boltzmann model for detonation simulation is presented. Instead of numerical solving Navier-Stokes equations, this model obtains the information of flow field through numerical solving specially discretized Boltzmann equation. Several classical benchmarks including Sod shock wave tube, Colella explosion problem,and one-dimensional self-sustainable stable detonation are simulated to validate the new model. Based on the new model,the influence of negative temperature coefficient of reaction rate on detonation is further investigated. It is found that an abnormal detonation with two wave heads periodically appears under negative temperature coefficient condition.The causes of the abnormal detonation are analyzed. One typical cycle of the periodic abnormal detonation and its development process are discussed.     

基于相空间的复杂物理场建模与分析方法

评述两个基于相空间的建模与分析方法及其应用。第一个是基于闵可夫斯基泛函的形态分析方法，第二个是基于离散玻尔兹曼方程的建模与分析方法。两者均是统计物理学相空间描述方法的进一步发展：以相对独立的行为特征量为基，构建相空间，使用该相空间和其子空间来描述系统的行为特征；该相空间中的一个点对应系统的一组行为特征；两点间的距离d可用来描述两组行为特征的差异，其倒数可用来描述两组行为特征的相似度（S=1/d）；一段时间内两点间距离的平均值${\bar d}$可用来描述两个动理学过程的差异，其倒数可用来描述这两个动理学过程的相似度（S_p=1/${\bar d}$）。从历史角度，基于闵可夫斯基泛函的形态相空间分析方法在先，接受其启发是离散玻尔兹曼方法朝着相空间描述方法发展过程中的关键环节。形态分析方法独立于数据来源，因而离散玻尔兹曼模拟得到的结果，除了可以使用其自带的分析功能之外，还可进一步使用形态分析方法获得另一个层面或视角的认识。在复杂介质动理学研究中，这两个方法从不同的视角，使得许多以前无法提取的信息得以分层次、定量化研究。     

Nonequilibrium and morphological characterizations of Kelvin–Helmholtz instability in compressible flows

We investigate the effects of viscosity and heat conduction on the onset and growth of Kelvin–Helmholtz instability (KHI) via an efficient discrete Boltzmann model. Technically, two effective approaches are presented to quantitatively analyze and understand the configurations and kinetic processes. One is to determine the thickness of mixing layers through tracking the distributions and evolutions of the thermodynamic nonequilibrium (TNE) measures; the other is to evaluate the growth rate of KHI from the slopes of morphological functionals. Physically, it is found that the time histories of width of mixing layer, TNE intensity, and boundary length show high correlation and attain their maxima simultaneously. The viscosity effects are twofold, stabilize the KHI, and enhance both the local and global TNE intensities. Contrary to the monotonically inhibiting effects of viscosity, the heat conduction effects firstly refrain then enhance the evolution afterwards. The physical reasons are analyzed and presented.     

Simulating thermohydrodynamics by finite difference solutions of the Boltzmann equation

The formulation of a consistent thermohydrodynamics with a discrete model of the Boltzmann equation requires the representation of the velocity moments up to the fourth order. Space-filling discrete sets of velocities with increasing accuracy were obtained using a systematic approach in accordance with a quadrature method based on prescribed abscissas (Philippi et al., Phys. Rev. E, 73 (5), n. 056702, 2006). These sets of velocities are suitable for collision-propagation schemes, where the discrete velocity and physical spaces are coupled and the Courant number is unitary. The space-filling requirement leads to sets of discrete velocities which can be large in thermal models. In this work, although the discrete sets of velocities are also obtained with a quadrature method based on prescribed abscissas, the lattices are not required to be space-filling. This leads to a reduced number of discrete velocities for the same approximation order but requires the use of an alternative numerical scheme. The use of finite difference schemes for the advection term in the continuous Boltzmann equation has shown to have some advantages with respect to the collision-propagation LBM method by freeing the Courant number from its unitary value and reducing the discretization error. In this work, a second order Runge-Kutta method was used for the simulation of the Sod's shock tube problem, the Couette flow and the Lid-driven cavity flow. Boundary conditions without velocity slip and temperature jumps were written for these discrete Boltzmann equation by splitting the velocity distribution function into an equilibrium and a non-equilibrium part. The equilibrium part was set using the local velocity and temperature at the wall and the non-equilibrium part by extrapolating the non-equilibrium moments to the wall sites.     

Polar Coordinate Lattice Boltzmann Kinetic Modeling of Detonation Phenomena

A novel polar coordinate lattice Boltzmann kinetic model for detonation phenomena is presented and applied to investigate typical implosion and explosion processes. In this model, the change of discrete distribution function due to local chemical reaction is dynamically coupled into the modified lattice Boltzmann equation which could recover the Navier-Stokes equations, including contribution of chemical reaction, via the Chapman-Enskog expansion. For the numerical investigations, the main focuses are the nonequilibrium behaviors in these processes. The system at the disc center is always in its thermodynamic equilibrium in the highly symmetric case. The internal kinetic energies in different degrees of freedom around the detonation front do not coincide. The dependence of the reaction rate on the pressure, influences of the shock strength and reaction rate on the departure amplitude of the system from its local thermodynamic equilibrium are probed.