Relaxation and transport in FCHC lattice gases

FCHC lattice gases are the basic models for studying flow problems in three-dimensional systems. This paper presents a self-contained theoretical analysis and some computer simulations of such lattice gases, extended to include an arbitrary number of rest particles, with special emphasis on non-semi-detailed balance (NSDB) models. The special FCHC lattice symmetry guarantees isotropy of the Navier-Stokes equations, and enumerates the 12 spurious conservation laws (staggered momenta). The kinetic theory is based on the mean field approximation or the nonlinear Boltzmann equation. It is shown how calculation of the eigenvalues of the linearized Boltzmann equation offers a simple alternative to the Chapman-Enskog method or the multi-time-scale methods for calculating transport coefficients and relaxation rates. The simulated values for the speed of sound in NSDB models slightly disagree with the Boltzmann prediction.     

Implementation of the FCHC lattice gas model on the Connection Machine

The 4-dimensional FCHC lattice gas model has been implemented on a Connection Machine CM-2 with 16K processors. Symmetries are used to reduce the collision table to a size that fits into local memory. This method avoids the degradation of the Reynolds coefficientR _*, but at the price of increased computing time. Bit shuffling between parallel lattices is introduced to reduce the discrepancy between measured viscosities and those predicted from the Boltzmann approximation. Thereby a model with a negative shear viscosity is obtained: a fluid having a uniform initial velocity is unstable and organized nonuniform motions develop. Because of the buildup of very strong correlations between the parallel lattices, the discrepancy with the Boltzmann values decreases only very slowly with the number of parallel lattices.     

Generalized Boltzmann equation for lattice gas automata

In this paper a theory is formulated that predicts velocity and spatial correlations between occupation numbers that occur in lattice gas automata violating semi-detailed balance. Starting from a coupled BBGKY hierarchy for then-particle distribution functions, cluster expansion techniques are used to derive approximate kinetic equations. In zeroth approximation the standard nonlnear Boltzmann equation is obtained; the next approximation yields the ring kinetic equation, similar to that for hard-sphere systems, describing the time evolution of pair correlations. The ring equation is solved to determine the (nonvanishing) pair correlation functions in equilibrium for two models that violate semidetailed balance. One is a model of interacting random walkers on a line, the other one is a two-dimensional fluid-type model on a triangular lattice. The numerical predictions agree very well with computer simulations.     

Type II quantum algorithms

We review and analyze the hybrid quantum-classical NMR computing methodology referred to as Type II quantum computing. We show that all such algorithms considered so far within this paradigm are equivalent to some classical lattice Boltzmann scheme. We derive a sufficient and necessary constraint on the unitary operator representing the quantum mechanical part of the computation which ensures that the model reproduces the Boltzmann approximation of a lattice-gas model satisfying semi-detailed balance. Models which do not satisfy this constraint represent new lattice Boltzmann schemes which cannot be formulated as the average over some underlying lattice-gas. We conclude the paper with some discussion of the strengths, weaknesses and possible future direction of Type II quantum computing.     

Transport Coefficients for Inelastic Maxwell Mixtures

The Boltzmann equation for inelastic Maxwell models (IMM) is used to determine the Navier–Stokes transport coefficients of a granular binary mixture in d-dimensions. The Chapman–Enskog method is applied to solve the Boltzmann equation for states near the (local) homogeneous cooling state. The mass, heat, and momentum fluxes are obtained to first order in the spatial gradients of the hydrodynamic fields, and the corresponding transport coefficients are identified. There are seven relevant transport coefficients: the mutual diffusion, the pressure diffusion, the thermal diffusion, the shear viscosity, the Dufour coefficient, the pressure energy coefficient, and the thermal conductivity. All these coefficients are exactly obtained in terms of the coefficients of restitution and the ratios of mass, concentration, and particle sizes. The results are compared with known transport coefficients of inelastic hard spheres (IHS) obtained analytically in the leading Sonine approximation and by means of Monte Carlo simulations. The comparison shows a reasonably good agreement between both interaction models for not too strong dissipation, especially in the case of the transport coefficients associated with the mass flux     

Consistent lattice Boltzmann method

Lack of energy conservation in lattice Boltzmann models leads to unrealistically high values of the bulk viscosity. For this reason, the lattice Boltzmann method remains a computational tool rather than a model of a fluid. A novel lattice Boltzmann model with energy conservation is derived from Boltzmann's kinetic theory. Simulations demonstrate that the new lattice Boltzmann model is the valid approximation of the Boltzmann equation for weakly compressible flows and microflows.     

An Analytical Study of Hydrodynamic Instability in the Flame. 1. Viscous Gas in the Flame Zone

The problem of the hydrodynamic stability of slow combustion is analytically solved with consideration given to the viscosity of the gas in the flame zone, the temperature dependence of the viscosity, and the dependences of the flame speed on the front curvature according to the Markstein model and on the pressure. The viscous forces in the flame zone alone cannot ensure the stability of the flame at any values of the Reynolds number. These forces act only as amplifiers of the stabilizing factor according to the Markstein model or in the case of a negative dependence of the flame velocity on the pressure. This property of internal friction forces is the more pronounced, the stronger the viscosity increases with the temperature. Thermal expansion is not only a destabilizing factor, leading to an increase in viscosity and other transport coefficients, but also produces a stabilizing effect.     

Simulations of Bingham plastic flows with the multiple-relaxation-time lattice Boltzmann model

Fresh cement mortar is a type of workable paste,which can be well approximated as a Bingham plastic and whose flow behavior is of major concern in engineering.In this paper,Papanastasiou’s model for Bingham fluids is solved by using the multiplerelaxation-time lattice Boltzmann model(MRT-LB).Analysis of the stress growth exponent m in Bingham fluid flow simulations shows that Papanastasiou’s model provides a good approximation of realistic Bingham plastics for values of m108.For lower values of m,Papanastasiou’s model is valid for fluids between Bingham and Newtonian fluids.The MRT-LB model is validated by two benchmark problems:2D steady Poiseuille flows and lid-driven cavity flows.Comparing the numerical results of the velocity distributions with corresponding analytical solutions shows that the MRT-LB model is appropriate for studying Bingham fluids while also providing better numerical stability.We further apply the MRT-LB model to simulate flow through a sudden expansion channel and the flow surrounding a round particle.Besides the rich flow structures obtained in this work,the dynamics fluid force on the round particle is calculated.Results show that both the Reynolds number Re and the Bingham number Bn afect the drag coefcients CD,and a drag coefcient with Re and Bn being taken into account is proposed.The relationship of Bn and the ratio of unyielded zone thickness to particle diameter is also analyzed.Finally,the Bingham fluid flowing around a set of randomly dispersed particles is simulated to obtain the apparent viscosity and velocity fields.These results help simulation of fresh concrete flowing in porous media.     

Negative normal restitution coefficient found in simulation of nanocluster collisions

The oblique impacts of nanoclusters are studied theoretically and by means of molecular dynamics. In simulations we explore two models--Lennard-Jones clusters and particles with covalently bonded atoms. In contrast with the case of macroscopic bodies, the standard definition of the normal restitution coefficient yields for this coefficient negative values for oblique collisions of nanoclusters. We explain this effect and propose a proper definition of the restitution coefficient which is always positive. We develop a theory of an oblique impact based on a continuum model of particles. A surprisingly good agreement between the macroscopic theory and simulations leads to the conclusion that macroscopic concepts of elasticity, bulk viscosity, and surface tension remain valid for nanoparticles of a few hundred atoms.     

Lattice Boltzmann Study of Mixed Convection in aCubic Cavity

The problem of the mixed convection in a cubic cavity is studied with lattice Boltzmann method. A multiple-relaxation-time lattice Boltzmann model for incompressible flow in the cubic cavity and another thermal lattice Boltzmann model for solving energy/temperature equation are proposed. The present models are first validated through a comparison with some available results, and then, we present a detailed parameter study on the mixed
convection in the cubic cavity. The numerical results show that the flow and temperature patterns change greatly with variations of the Reynolds and Richardson numbers.     

Determination of eddy transport coefficients in thermo-lattice Boltzmann modeling of two-dimensional turbulence

Thermal Lattice Boltzmann (TLBE) techniques are used to consider the time evolution of free-decaying two dimensional (2D) turbulence induced by a double velocity shear layer. In particular, we consider the effect of this turbulence at a Reynolds number of 2555 on a strong temperature gradient. Since all structures are resolved on the 1024×1024 grid, the Smagorinsky model is employed to compute directly the eddy viscosity and eddy diffusivity. These transport coefficients play an integral part in large eddy simulations at very high Reynolds numbers where a direct simulation cannot resolve all excited scales. TLBE codes have the virtue of being readily extended to 3D, can readily handle nonperiodic geometries, and are ideally suited for multi-parallel computer architectures.This work was supported by a joint US-Czech DoE Grant #93066. Computations were performed under the auspices of the SPP (Special Parallel Processing) on the C90 at NERSC.     

Lattice Boltzmann Simulations of Particle-Particle Interaction in Steady Poiseuille Flow

The moving behaviour of two- and three-particles in a pressure-driven flow is studied by the lattice Boltzmann simulation in two dimensions. The time-dependent values, including particles＇ radial positions, translational velocities, angular velocities, and the x-directional distance between the particles are analysed extensively. The effect of flow Reynolds number on particle motion is also investigated numerically. The simulation results show that the leading particle equilibrium position is closer to the channel centre while the trailing particle equilibrium position is closer to the channel wall. If Reynolds number Re is less than 85.30, the larger flow Reynolds number results in the smaller x-directional equilibrium distance, otherwise the x-directional distance increases almost linearly with the increase of time and the particles separate finally. The simulation results are helpful to understand the particle-particle interaction in suspensions with swarms of particles.     

Hexagonal discrete Boltzmann models with and without rest particles

We consider seven different hexagonal discrete Boltzmann models corresponding to one, two, three, and five hexagons with or without rest particles. In the microscopic collisions the number of particles associated with a given speed is not necessarily conserved, except for two models without rest particles. We compare different behaviors for the macroscopic quantities between models with and without rest particles and when the number of velocities (or hexagons) increases. We study similarity waves with two asymptotic states and consider two classes of solutions at one asymptotic state: either isotropic (densities associated with the same speed are equal) or anisotropic. Two macroscopic quantities seem useful for such studies: internal energy and mass ratio across the asymptotic states, which satisfy a relation deduced from continuous theory. Here we report results for the isotropic solutions, whoch only exist, for both models, in the subdomains where the propagation speed is larger than some well-defined value. Outside these subdomains, modifications occur when the rest particle desity becomes large. For both models we find a monotonic internal energy and subdomains with a mass ratio equal to the one in continuous theory.     

Improving the Stability of the Multiple-Relaxation-Time Lattice Boltzmann Method by a Viscosity Counteracting Approach

Numerical instability may occur when simulating high Reynolds number flows by the lattice Boltzmann method (LBM). The multiple-relaxation-time (MRT) model of the LBM can improve the accuracy and stability, but is still subject to numerical instability when simulating flows with large single-grid Reynolds number (Reynolds number/grid number). The viscosity counteracting approach proposed recently is a method of enhancing the stability of the LBM. However, its effectiveness was only verified in the single-relaxation-time model of the LBM (SRT-LBM). This paper aims to propose the viscosity counteracting approach for the multiple-relaxation-time model (MRT-LBM) and analyze its numerical characteristics. The verification is conducted by simulating some benchmark cases: the two-dimensional (2D) lid-driven cavity flow, Poiseuille flow, Taylor-Green vortex flow and Couette flow, and three-dimensional (3D) rectangular jet. Qualitative and Quantitative comparisons show that the viscosity counteracting approach for the MRT-LBM has better accuracy and stability than that for the SRT-LBM.     

Proposed stochastic parameterisations of subgrid turbulence in large eddy simulations of turbulent channel flow

Stochastic and deterministic subgrid parameterisations are developed for the large eddy simulation (LES) of a turbulent channel flow with friction-velocity-based Reynolds number of Re_τ = 950 and centreline-based Reynolds number of Re₀ = 20,580. The subgrid model coefficients (eddy viscosities) are determined from the statistics of truncated reference direct numerical simulations (DNSs). The stochastic subgrid model consists of a mean-field shift, a drain eddy viscosity acting on the resolved field and a stochastic backscatter force of variance proportional to the backscatter eddy viscosity. The deterministic variant consists of a net eddy viscosity acting on the resolved field, which represents the net effect of the drain and backscatter. LES adopting the stochastic and deterministic models is shown to reproduce the time-averaged kinetic energy spectra of the DNS within the resolved scales.     

耦合界面力的两相流相场格子Boltzmann模型

提出了一种改进的基于相场理论的两相流格子Boltzmann模型.通过引入一种新的更加简化的外力项分布函数,使得此模型克服了前人工作中界面力尺度与理论分析不一致的问题,并且通过Chapman-Enskog多尺度分析表明,所提出的模型能够准确恢复到追踪界面的Cahn-Hilliard方程和不可压的Navier-Stokes方程,并且宏观速度的计算更为简化.利用所提模型对几个经典两相流问题,包括静态液滴测试、液滴合并问题、亚稳态分解以及瑞利-泰勒不稳定性进行了数值模拟,发现本模型可以获得量级为10^-9极小的虚假速度,并且这些算例获取的数值解与解析解或已有的文献结果相吻合,从而验证了模型的准确性和可行性.最后,利用所发展的两相流格子Boltzmann模型研究了随机扰动的瑞利-泰勒不稳定性问题,并着重分析了雷诺数对流体相界面的影响.发现对于高雷诺数情形,在演化前期,流体界面出现一排“蘑菇”形状,而在演化后期,流体界面呈现十分复杂的混沌拓扑结构.不同于高雷诺数情形,低雷诺数时流体界面变得相对光滑,在演化后期未观察到混沌拓扑结构.     

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.     

An Accurate Multi-level Finite Difference Scheme for 1D Diffusion Equations Derived from the Lattice Boltzmann Method

An accurate and unconditionally stable explicit finite difference scheme for 1D diffusion equations is derived from the lattice Boltzmann method with rest particles. The system of the lattice Boltzmann equations for the distribution of the number of the fictitious particles is rewritten as a four-level explicit finite difference equation for the concentration of the diffused matter with two parameters. The consistency analysis of the four-level scheme shows that the two parameters which appear in the scheme, the relaxation parameter and the amount of rest particles, can be determined such that the scheme has the truncation error of fourth order. Numerical experiments demonstrate the fourth-order rate of convergence for various combinations of model parameters.