Lees–Edwards Boundary Conditions for Lattice Boltzmann

Lees–Edwards boundary conditions (LEbc) for Molecular Dynamics simulations⁽¹⁾ are an extension of the well known periodic boundary conditions and allow the simulation of bulk systems in a simple shear flow. We show how the idea of LEbc can be implemented in isothermal lattice Boltzmann simulations and how LEbc can be used to overcome the problem of a maximum shear rate that is limited to less then 1/L _y (with L _y the transverse system size) in traditional lattice Boltzmann implementations of shear flow. The only previous Lattice Boltzmann implementation of LEbc⁽²⁾ requires a specific fourth order equilibrium distribution. In this paper we show how LEbc can be implemented with the usual quadratic equilibrium distributions.     

Anomalous Scaling of Structure Functions and Dynamic Constraints on Turbulence Simulations

The connection between anomalous scaling of structure functions (intermittency) and numerical methods for turbulence simulations is discussed. It is argued that the computational work for direct numerical simulations (DNS) of fully developed turbulence increases as Re ⁴, and not as Re ³ expected from Kolmogorov’s theory, where Re is a large-scale Reynolds number. Various relations for the moments of acceleration and velocity derivatives are derived. An infinite set of exact constraints on dynamically consistent subgrid models for Large Eddy Simulations (LES) is derived from the Navier–Stokes equations, and some problems of principle associated with existing LES models are highlighted     

Growth kinetics in multicomponent fluids

The hydrodynamic effects on the late-stage kinetics in spinodal decomposition of multicomponent fluids are examined using a lattice Boltzmann scheme with stochastic fluctuations in the fluid and at the interface. In two dimensions, the three- and four-component immiscible fluid mixture (with a 1024² lattice) behaves like an off-critical binary fluid with an estimated domain growth oft ^0.4±0.03 rather thant ^1/3 as previously estimated, showing the significant influence of hydrodynamics. In three dimensions (with a 256³ lattice), we estimate the growth ast ^0.96±0.05 for both critical and off-critical quenches, in agreement with phenomenological theory.     

A large eddy lattice Boltzmann simulation of magnetohydrodynamic turbulence

Large eddy simulations (LES) of a lattice Boltzmann magnetohydrodynamic (LB-MHD) model are performed for the unstable magnetized Kelvin–Helmholtz jet instability. This algorithm is an extension of Ansumali et al. [1] to MHD in which one performs first an expansion in the filter width on the kinetic equations followed by the usual low Knudsen number expansion. These two perturbation operations do not commute. Closure is achieved by invoking the physical constraint that subgrid effects occur at transport time scales. The simulations are in very good agreement with direct numerical simulations.     

Lattice Boltzmann simulation of solid particles suspended in fluid

The lattice Boltzmann method, an alternative approach to solving a fluid flow system, is used to analyze the dynamics of particles suspended in fluid. The interaction rule between the fluid and the suspended particles is developed for real suspensions where the particle boundaries are treated as no-slip impermeable surfaces. This method correctly and accurately determines the dynamics of single particles and multi-particles suspended in the fluid. With this method, computational time scales linearly with the number of suspensions,N, a significant advantage over other computational techniques which solve the continuum mechanics equations, where the computational time scales asN ³. Also, this method solves the full momentum equations, including the inertia terms, and therefore is not limited to low particle Reynolds number.     

Lateral Migration and Orientation of Elliptical Particles in Poiseuille Flows

The simulations of elliptical particles in a pressure driven flow are performed using a lattice Boltzmann (LB) method. Effects of multi-particle interaction on the lateral migration and orientation of both neutrally and non-neutrally buoyant particles are investigated. Low and itermediate solid concentrations in terms of area fraction f _a =13, 25, and 40% are included in these simulations.     

Pair interaction lattice gas simulations: Flow past obstacles in two and three dimensions

Apart from the FCHC (face-centered hypercube), Nasilowski's pair interaction lattice gas (PI) is the only known lattice gas automaton for three-dimensional hydrodynamic simulations. Unfortunately, the viscosity of PI is not isotropic. In order to determine the degree anisotropy, we derive fluid dynamic equations for the regime of compressible viscid flow. From relaxation measurements of waves propagating in various directions we compute the physically relevant dissipation coefficients and compare our results with theoretical predictions. Although PI shows a high degree of anisotropy, we define the mean value of the dissipation tensor as effective shear viscosity. Using this value of v _eff ^2D =0.35, two-dimensional simulations of flow past a cylinder yield drag coefficients in quantitative agreement with wind tunnel measurements over a range of Reynolds numbers of 5–50. Three-dimensional simulations of flow past a sphere yield qualitative agreement with various references. A fit of the results to a semi-empirical curve provides an effective value of v _eff ^2D =0.21 for a range of Reynolds numbers from 0.19 to 40. In order to check for finite-size effects, we measured the mean free path and computed the Knudsen numbers. We obtained 1 lattice unit, corresponding to Kn=0.01 (2D) and Kn=0.1 (3D). We found no significant finite-size effects.     

Lattice Boltzmann simulation of flow around two,three and four circular cylinders in close proximity

Cross-flows around two, three and four circular cylinders in tandem, side-by-side, isosceles triangle and square arrangements are simulated using the incompressible lattice Boltzmann method with a second-order accurate curved boundary condition at Reynolds number 200 and the cylinder center-to-center transverse or/and longitudinal spacing 1.5D, where D is the identical circular cylinder diameter. The wake patterns, pressure and force distributions on the cylinders and mechanism of flow dynamics are investigated and compared among the four cases. The results also show that flows around the three or four cylinders significantly differ from those of the two cylinders in the tandem and side-by-side arrangements although there are some common features among the four cases due to their similarity of structures, which are interesting, complex and useful for practical applications. This study provides a useful database to validate the simplicity, accuracy and robustness of the Lattice Boltzmann method.

     

On the lattice Boltzmann method for phonon transport

The lattice Boltzmann method is a discrete representation of the Boltzmann transport equation that has been employed for modeling transport of particles of different nature. In the present work, we describe the lattice Boltzmann methodology and implementation techniques for the phonon transport modeling in crystalline materials. We show that some phonon physical properties, e.g., mean free path and group velocity, should be corrected to their effective values for one- and two-dimensional simulations, if one uses the isotropic approximation. We find that use of the D2Q9 lattice for phonon transport leads to erroneous results in transient ballistic simulations, and the D2Q7 lattice should be employed for two-dimensional simulations. Furthermore, we show that at the ballistic regime, the effect of direction discretization becomes apparent in two dimensions, regardless of the lattice used. Numerical methodology, lattice structure, and implementation of initial and different boundary conditions for the D2Q7 lattice are discussed in detail.     

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.     

Immiscible multicomponent lattice Boltzmann model for fluids with high relaxation time ratio

An immiscible multicomponent lattice Boltzmann model is developed for fluids with high relaxation time ratios, which is based on the model proposed by Shan and Chen (SC). In the SC model, an interaction potential between particles is incorporated into the discrete lattice Boltzmann equation through the equilibrium velocity. Compared to the SC model, external forces in our model are discretized directly into the discrete lattice Boltzmann equation, as proposed by Guo et al. We develop it into a new multicomponent lattice Boltzmann (LB) model which has the ability to simulate immiscible multicomponent fluids with relaxation time ratio as large as 29.0 and to reduce ‘spurious velocity’. In this work, the improved model is validated and studied using the central bubble case and the rising bubble case. It finds good applications in both static and dynamic cases for multicomponent simulations with different relaxation time ratios.     

LATTICE BOLTZMANN EQUATION MODEL IN THE CORIOLIS FIELD

In a large-scale field of rotational fluid, various unintelligible and surprising dynamic phenomena are produced due to the effect of the Coriolis force. The lattice Boltzmann equation (LBE) model in the Coriolis field is developed based on previous works.^[1-4] Geophysical fluid dynamics equations are derived from the model. Numerical simulations have been made on an ideal atmospheric circulation of the Northern Hemisphere by using the model and they reproduce the Rossby wave motion well. Hence the applicability of the model is verified in both theory and experiment.     

Advanced lattice Boltzmann scheme for high-Reynolds-number magneto-hydrodynamic flows

Is the lattice Boltzmann method suitable to investigate numerically high-Reynolds-number magneto-hydrodynamic (MHD) flows? It is shown that a standard approach based on the Bhatnagar–Gross–Krook (BGK) collision operator rapidly yields unstable simulations as the Reynolds number increases. In order to circumvent this limitation, it is here suggested to address the collision procedure in the space of central moments for the fluid dynamics. Therefore, an hybrid lattice Boltzmann scheme is introduced, which couples a central-moment scheme for the velocity with a BGK scheme for the space-and-time evolution of the magnetic field. This method outperforms the standard approach in terms of stability, allowing us to simulate high-Reynolds-number MHD flows with non-unitary Prandtl number while maintaining accuracy and physical consistency.     

Nonexistence of H Theorem for Some Lattice Boltzmann Models

In this paper, we provide a set of sufficient conditions under which a lattice Boltzmann model does not admit an H theorem. By verifying the conditions, we prove that a number of existing lattice Boltzmann models does not admit an H theorem. These models include D2Q6, D2Q9 and D3Q15 athermal models, and D2Q16 and D3Q40 thermal (energy-conserving) models. The proof does not require the equilibria to be polynomials.     

Estimation of applicability of perturbation theory to solution of the kinetic Boltzmann equation in calculations of charge-carrier relaxation time in isotropic polycrystalline <Emphasis Type="Italic">p-</Emphasis>silicon

A condition is formulated for application of perturbation theory to solution of the kinetic Boltzmann equation in calculations of charge-carrier relaxation time in an isotropic silicon polycrystal, where holes are scattered both by a disordered system of potential barriers formed on crystallite surfaces and by a disordered lattice of silicon atoms characterized by local ordering. The total specific resistance of p-type isotropic polycrystalline silicon is estimated for the grain size d = 230 ?, temperature T = 300 K, and hole concentration p = (5.0 – 10.0) ⋅ 10¹⁹ cm⁻³. The calculated specific resistances of p-type polycrystalline silicon are compared with the experimental data.     

Simulation of Combustion Field with Lattice Boltzmann Method

Turbulent combustion is ubiquitously used in practical combustion devices. However, even chemically non-reacting turbulent flows are complex phenomena, and chemical reactions make the problem even more complicated. Due to the limitation of the computational costs, conventional numerical methods are impractical in carrying out direct 3D numerical simulations at high Reynolds numbers with detailed chemistry. Recently, the lattice Boltzmann method has emerged as an efficient alternative for numerical simulation of complex flows. Compared with conventional methods, the lattice Boltzmann scheme is simple and easy for parallel computing. In this study, we present a lattice Boltzmann model for simulation of combustion, which includes reaction, diffusion, and convection. We assume the chemical reaction does not affect the flow field. Flow, temperature, and concentration fields are decoupled and solved separately. As a preliminary simulation, we study the so-called counter-flow laminar flame. The particular flow geometry has two opposed uniform combustible jets which form a stagnation flow. The results are compared with those obtained from solving Navier–Stokes equations.     

TheA n /(1) face models

Presented here is the construction of solvable two-dimensional lattice models associated with the affine Lie algebraA _n ^/(1) and an arbitrary pair of Young diagrams. The models comprise two kinds of fluctuation variables; one lives on the sites and takes on dominant integral weights of a fixed level, the other lives on edges and assumes the weights of the representations ofsl(n+1, C) specified by Young diagrams. The Boltzmann weights are elliptic solutions of the Yang-Baxter equation. Some conjectures on the one point functions are put forth.     

Low-viscosity lattice gases

A class of lattice gas models are studied which are variants of the FCHC model. The aim is to achieve the highest possible Reynolds coefficient (inverse dimensionless viscosity) for efficient simulations of the three-dimensional incompressible Navier-Stokes equations. The models include an arbitrary number of rest particles and violation of semi-detailed balance. Within the framework of the Boltzmann approximation exact expressions are obtained for the Reynolds coefficients. The minimization of the viscosity is done by solving a Hitchcock-type optimization problem for the fine tuning of the collision rules. When the number of rest particles exceeds one, there is a range of densities at which the viscosity takes negative values. Various optimal models with up to 26 bits per node have been implemented on a CRAY-2 and their true transport coefficients have been measured with good accuracy. Fairly large discrepancies with Boltzmann values are observed when semi-detailed balance is violated; in particular, no negative viscosity is obtained. Still, the best model has a Reynolds coefficient of 13.5, twice that of the best previously implemented model, and thus is about 16 times more efficient computationally. Suggestions are made for further improvements. It is proposed to use models with very high Reynolds coefficients for sub-grid-scale modeling of turbulent flows.     

Classical spin liquid properties of the infinite-component spin vector model on a fully frustrated two dimensional lattice

Thermodynamic quantities and correlation functions (CFs) of the classical antiferromagnet on the checkerboard lattice are studied for the exactly solvable infinite-component spin-vector model, D↦∞. In contrast to conventional two-dimensional magnets with continuous symmetry showing extended short-range order at distances smaller than the correlation length, r ξ _c∝ exp(T ^*/T), correlations in the checkerboard-lattice model decay already at the scale of the lattice spacing due to the strong degeneracy of the ground state characterized by a macroscopic number of strongly fluctuating local degrees of freedom. At low temperatures, spin CFs decay as < >∝ 1/r ² in the range a ₀≪r≪ξ _c∝T ^-1/2, where a₀ is the lattice spacing. Analytical results for the principal thermodynamic quantities in our model are very similar with MC simulations, exact and analytical results for the classical Heisenberg model (D = 3) on the pyrochlore lattice. This shows that the ground state of the infinite-component spin vector model on the checkerboard lattice is a classical spin liquid. Received 16 November 2001 and Received in final form 12 February 2002     

A partial entropic lattice Boltzmann MHD simulation of the Orszag–Tang vortex

Karlin has introduced an analytically determined entropic lattice Boltzmann (LB) algorithm for Navier-Stokes turbulence. Here, this is partially extended to an LB model of magnetohydrodynamics, on using the vector distribution function approach of Dellar for the magnetic field (which is permitted to have field reversal). The partial entropic algorithm is benchmarked successfully against standard simulations of the Orszag–Tang vortex [Orszag, S.A.; Tang, C.M. J. Fluid Mech. 1979, 90 (1), 129–143].