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.     

Global invariants and equilibrium states in lattice gases

It is now well known that, in addition to the physical conserved quantities, lattice gases also have other unphysical ones related to the discretization of their phase space. From an abstract point of view a lattice gas can be considered like a full discrete Markov processL and these spurious conserved quantities yield the existence of a nonspatially homogeneous equilibrium state forL ^k. We show that a particular set of these conserved quantities is of special interest: Its elements will be called regular. These regular invariants are simply built from the local ones and their projection on each node is always a locally conserved quantity. Moreover, for most models they are one-to-one related to the Gibbs states ofL ^k which remain factorized. It turns out that all the classical known spurious invariants are regular and one can exhibit simple conditions to build models with only regular invariants. For the latter it is then justified to determine the transport coefficients of the locally conserved densities with the Green-Kubo procedure.     

Stress-stress correlation functions in lattice gases beyond Boltzmann's approximation

The complete time dependence of the stress-stress correlation functions in lattice gas cellular automata is calculated from the ring kinetic theory using numerical and analytical methods. This provides corrections, typically of 10–20%, to the usual molecular chaos calculations, where correlation functions decay exponentially. The resulting correlation function crosses over from an initial exponential decay to the long-time behavior calculated from mode coupling theory. The present theory, applied to the viscosity, accounts for a substantial part of the observed difference between the Boltzmann theory and simulations.     

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.     

Negative-viscosity lattice gases

A new irreversible collision rule is introduced for lattice-gas automata. The rule maximizes the flux of momentum in the direction of the local momentum gradient, yielding a negative shear viscosity. Numerical results in 2D show that the negative viscosity leads to the spontaneous ordering of the velocity field, with vorticity resolvable down to one lattice-link length. The new rule may be used in conjunction with previously proposed collision rules to yield a positive shear viscosity lower than the previous rules provide. In particular, Poiseuille flow tests demonstrate a decrease in viscosity by more than a factor of 2.     

Staggered diffusivities in lattice gas cellular automata

The majority of LGCAs has spurious conservation laws, the so-called staggered invariants, first discovered by Kadanoff, McNamara, and Zanetti. Consequently there are additional hydrodynamic modes of diffusive type, which modify mode coupling theories and the nonlinear fluid dynamic equations. The diffusivities of these staggered modes are evaluated in the mean field approximation for LGCAs on triangular lattices, starting from the Green-Kubo formulas for the staggered diffusivities.     

Lorentz lattice gases: Basic theory

We present several ballistic models of the Lorentz gas in two-dimensional lattices with deterministic and stochastic deflection rules, and their corresponding Liouville equations. Boltzmann-level-equation results are obtained for the diffusion coefficient and velocity autocorrelation function for models with stochastic deflection rules. The long-time behavior of the mean square displacement is briefly discussed and the possibility of abnormal diffusion indicated. Even if the diffusion coefficient exists, its low-density limit may not be given correctly by the Boltzmann equation.     

The lattice Boltzmann phononic lattice solid

I present a Boltzmann lattice gas-like approach for modeling compressional waves in an inhomogeneous medium as a first step toward developing a method to simulate seismic waves in complex solids. The method is based on modeling particles in a discrete lattice with wavelike characteristics of partial reflection and transmission when passing between links with different properties as well as phononlike interactions (i.e., collisions), with particle speed dependent on link properties. In the macroscopic limit, this approach theoretically yields compressional waves in an inhomogeneous acoustic medium. Numerical experiments verify the method and demonstrate its convergence properties. The lattice Boltzmann phononic lattice solid could be used to study how seismic wave anisotropy and attenuation are related to microfractures, the complex geometry of rock matrices, and their couplings to pore fluids. However, additional particles related to the two transverse phonons must be incorporated to correctly simulate wave phenomena in solids.     

A time-reversal lattice Boltzmann method

In this paper we address the time-reversed simulation of viscous flows by the lattice Boltzmann method (LB). The theoretical derivation of the reversed LB from the Boltzmann equation is detailed, and the method implemented for weakly compressible flows using the D2Q9 scheme. The implementation of boundary conditions is also discussed. The accuracy and stability are illustrated by four test cases, namely the propagation of an acoustic wave in a medium at rest and in an uniform mean flow, the Taylor–Green vortex decay and the vortex pair–wall collision.     

Percolation in hard-core lattice gases and a model ferrofluid

A lattice gas on ³ consisting of hard spheres with exclusions extending through third neighbors is proved to undergo a percolation transition. If spins with ferromagnetic couplings are attached to the spheres, spontaneous magnetization is proved to occur. This may provide a model for a ferrofluid, a system which exhibits spontaneous magnetization without crystalline order. Similar results are also obtained for an analogous model on ².     

Velocity autocorrelation function in lattice gases from the ring kinetic theory. Comparison with numerical simulations

We obtain the complete time dependence of the velocity autocorrelation function (VACF) for lattice gas cellular automata, usingring kinetic theory. This theory accounts for the simplest correlated collisions that improve on the molecular chaos approach, and yields a closed equation for the VACF that we evaluate for both infinite and finite systems. We compare our analytical results with numerical simulations at all times, as well as with long-time results of the mode coupling theories, finding a very good agreement for all times at all densities.     

H-theorem and generalized semi-detailed balance condition for lattice gas systems

For lattice gas systems obeying Fermi-Dirac statistics, an H-theorem can be proved with a more general condition that the semi-detailed balance condition. This new condition allows more flexible transition rates among states, so that it has broader applicability for various lattice gas models, including those which have multiple phase properties.     

Diffusion in Lorentz lattice gas automata with backscattering

The probability of first return to the initial intervalx and the diffusion tensorD _x are calculated exactly for a ballistic Lorentz gas on a Bethe lattice or Cayley tree. It consists of a moving particle and a fixed array of scatterers, located at the nodes, and the lengths of the intervals between scatterers are determined by a geometric distribution. The same values forx andD _x apply also to a regular space lattice with a fraction of sites occupied by a scatterer in the limit of a small concentration of scatterers. If backscattering occurs, the results are very different from the Boltzmann approximation. The theory is applied to different types of lattices and different types of scatterers having rotational or mirror symmetries.     

Solvable models of classical lattice gases

We study classical lattice gases at fixed temperature but variable fugacity. It is shown how the thermodynamic functions may be calculated exactly provided the Boltzmann weights are representable as principal minors of a convolution operator. We explicitly construct this operator for the cluster models of Fisher and Felderhof.On leave from the Institute for Theoritical Physics, RWTH Aachen, Germany.     

Boundary conditions for lattice Boltzmann simulations

A heuristic interpretation of no-slip boundary conditions for lattice Boltzmann and lattice gas simulations is developed. An improvement is suggested which consists of including the wall nodes in the collision operation.     

A stochastic lattice gas for Burgers' equation: A practical study

We continue our investigation of stochastic lattice gases as a (highly parallel) means of simulating given PDEs, in this case Burgers' equation in one dimension. The lattice dynamics consists of stochastic unidirectional particle displacement, and our attention is turned toward the reliability of the model, i.e., its ability to reproduce the unique physical solution of Burgers' equation. Lattice gas results are discussed and compared against finite-difference calculations and exact solutions in examples which include shocks and rarefaction waves.     

Phase transitions in lattice gases of hard-core molecules having two orientations

A number of hard-core lattice gases in which a lattice site can be occupied by a molecule in either of two possible orientations are proved to undergo order-disorder phase transitions. Examples include lattice gases of trigonal planar molecules on a triangular lattice, tetrahedral molecules on a bodycentered cubic lattice, and linear molecules on a square lattice.This research was supported by The Robert A. Welch Foundation Grant P-446 and by the TCU Research Foundation.     

Thermal equation of state for lattice Boltzmann gases

The Galilean invariance and the induced thermo-hydrodynamics of the lattice Boltzmann Bhatnagar--Gross--Krook model are proposed together with their rigorous theoretical background. From the viewpoint of group invariance, recovering the Galilean invariance for the isothermal lattice Boltzmann Bhatnagar--Gross--Krook equation (LBGKE) induces a new natural thermal-dynamical system, which is compatible with the elementary statistical thermodynamics.