A Lifting Relation from Macroscopic Variables to Mesoscopic Variables in Lattice Boltzmann Method: Derivation, Numerical Assessments and Coupling Computations Validation

In this paper, analytic relations between the macroscopic variables and the mesoscopic variables are derived for lattice Boltzmann methods (LBM). The analytic relations are achieved by two different methods for the exchange from velocity fields of finite-type methods to the single particle distribution functions of LBM. The numerical errors of reconstructing the single particle distribution functions and the non-equilibrium distribution function by macroscopic fields are investigated. Results show that their accuracy is better than the existing ones. The proposed reconstruction operator has been used to implement the coupling computations of LBM and macro-numerical methods of FVM. The lid-driven cavity flow is chosen to carry out the coupling computations based on the numerical strategies of domain decomposition methods (DDM). The numerical results show that the proposed lifting relations are accurate and robust

Electrokinetic Lattice Boltzmann solver coupled to Molecular Dynamics: application to polymer translocation

We develop a theoretical and computational approach to deal with systems that involve a disparate range of spatio-temporal scales, such as those comprised of colloidal particles or polymers moving in a fluidic molecular environment. Our approach is based on a multiscale modeling that combines the slow dynamics of the large particles with the fast dynamics of the solvent into a unique framework. The former is numerically solved via Molecular Dynamics and the latter via a multi-component Lattice Boltzmann. The two techniques are coupled together to allow for a seamless exchange of information between the descriptions. Being based on a kinetic multi-component description of the fluid species, the scheme is flexible in modeling charge flow within complex geometries and ranging from large to vanishing salt concentration. The details of the scheme are presented and the method is applied to the problem of translocation of a charged polymer through a nanopores. In the end, we discuss the advantages and complexities of the approach

Initialization of lattice Boltzmann models with the help of the numerical Chapman-Enskog expansion

We extend the applicability of the numerical Chapman-Enskog expansion as a lifting operator for lattice Boltzmann models to map density and momentum to distribution functions. In earlier work [Vanderhoydonc et al. Multiscale Model. Simul. 10(3): 766-791, 2012] such an expansion was constructed in the context of lifting only the zeroth order velocity moment, namely the density. A lifting operator is necessary to convert information from the macroscopic to the mesoscopic scale. This operator is used for the initialization of lattice Boltzmann models. Given only density and momentum, the goal is to initialize the distribution functions of lattice Boltzmann models. For this initialization, the numerical Chapman-Enskog expansion is used in this paper.Comment: arXiv admin note: text overlap with arXiv:1108.491

Three-Dimensional Multi-Relaxation Time (MRT) Lattice-Boltzmann Models for Multiphase Flow

In this paper, three-dimensional (3D) multi-relaxation time (MRT) lattice-Boltzmann (LB) models for multiphase flow are presented. In contrast to the Bhatnagar-Gross-Krook (BGK) model, a widely employed kinetic model, in MRT models the rates of relaxation processes owing to collisions of particle populations may be independently adjusted. As a result, the MRT models offer a significant improvement in numerical stability of the LB method for simulating fluids with lower viscosities. We show through the Chapman-Enskog multiscale analysis that the continuum limit behavior of 3D MRT LB models corresponds to that of the macroscopic dynamical equations for multiphase flow. We extend the 3D MRT LB models developed to represent multiphase flow with reduced compressibility effects. The multiphase models are evaluated by verifying the Laplace-Young relation for static drops and the frequency of oscillations of drops. The results show satisfactory agreement with available data and significant gains in numerical stability.Comment: Accepted for publication in the Journal of Computational Physic

Incorporating Forcing Terms in Cascaded Lattice-Boltzmann Approach by Method of Central Moments

Cascaded lattice-Boltzmann method (Cascaded-LBM) employs a new class of collision operators aiming to improve numerical stability. It achieves this and distinguishes from other collision operators, such as in the standard single or multiple relaxation time approaches, by performing relaxation process due to collisions in terms of moments shifted by the local hydrodynamic fluid velocity, i.e. central moments, in an ascending order-by-order at different relaxation rates. In this paper, we propose and derive source terms in the Cascaded-LBM to represent the effect of external or internal forces on the dynamics of fluid motion. This is essentially achieved by matching the continuous form of the central moments of the source or forcing terms with its discrete version. Different forms of continuous central moments of sources, including one that is obtained from a local Maxwellian, are considered in this regard. As a result, the forcing terms obtained in this new formulation are Galilean invariant by construction. The method of central moments along with the associated orthogonal properties of the moment basis completely determines the expressions for the source terms as a function of the force and macroscopic velocity fields. In contrast to the existing forcing schemes, it is found that they involve higher order terms in velocity space. It is shown that the proposed approach implies "generalization" of both local equilibrium and source terms in the usual lattice frame of reference, which depend on the ratio of the relaxation times of moments of different orders. An analysis by means of the Chapman-Enskog multiscale expansion shows that the Cascaded-LBM with forcing terms is consistent with the Navier-Stokes equations. Computational experiments with canonical problems involving different types of forces demonstrate its accuracy.Comment: 55 pages, 4 figure

Steady State Convergence Acceleration of the Generalized Lattice Boltzmann Equation with Forcing Term through Preconditioning

Several applications exist in which lattice Boltzmann methods (LBM) are used to compute stationary states of fluid motions, particularly those driven or modulated by external forces. Standard LBM, being explicit time-marching in nature, requires a long time to attain steady state convergence, particularly at low Mach numbers due to the disparity in characteristic speeds of propagation of different quantities. In this paper, we present a preconditioned generalized lattice Boltzmann equation (GLBE) with forcing term to accelerate steady state convergence to flows driven by external forces. The use of multiple relaxation times in the GLBE allows enhancement of the numerical stability. Particular focus is given in preconditioning external forces, which can be spatially and temporally dependent. In particular, correct forms of moment-projections of source/forcing terms are derived such that they recover preconditioned Navier-Stokes equations with non-uniform external forces. As an illustration, we solve an extended system with a preconditioned lattice kinetic equation for magnetic induction field at low magnetic Prandtl numbers, which imposes Lorentz forces on the flow of conducting fluids. Computational studies, particularly in three-dimensions, for canonical problems show that the number of time steps needed to reach steady state is reduced by orders of magnitude with preconditioning. In addition, the preconditioning approach resulted in significantly improved stability characteristics when compared with the corresponding single relaxation time formulation.Comment: 47 pages, 21 figures, for publication in Journal of Computational Physic