Boundary conditions for regularized 13-moment-equations for micro-channel-flows

Boundary conditions are the major obstacle in simulations based on advanced continuum models of rarefied and micro-flows of gases. In this paper, we present a theory how to combine the regularized 13-moment-equations derived from Boltzmann’s equation with boundary conditions obtained from Maxwell’s kinetic accommodation model. While for the linear case these kinetic boundary conditions suffice, we need additional conditions in the non-linear case. These are provided by the bulk solutions obtained after properly transforming the equations while keeping their asymptotic accuracy with respect to Boltzmann’s equation.After finding a suitable set of boundary conditions and equations, a numerical method for generic shear flow problems is formulated. Several test simulations demonstrate the stable and oscillation-free performance of the new approach.     

Three-dimensional lattice Boltzmann method for simulating blood flow in aortic arch

The three-dimensional （3D） lattice Boltzmann models, 3DQ15, 3DQ19 and 3DQ27, under different wall boundary conditions and lattice resolutions have been investigated by simulating Poiseuille flow in a circular cylinder for a wide range of Reynolds numbers. The 3DQ19 model with improved Fillippova and Hanel （FH） curved boundary condition represents a good compromise between computational efficiency and reliability. Blood flow in an aortic arch is then simulated as a typical haemodynamic application. Axial and secondary fluid velocity and effective wall shear stress profiles in a 180° bend are obtained, and the results also demonstrate that the lattice Boltzmann method is suitable for simulating the flow in 3D large-curved vessels.     

Formation and Propagation of Discontinuity for Boltzmann Equation in Non-Convex Domains

The formation and propagation of singularities for the Boltzmann equation in bounded domains has been an important question in numerical studies as well as in theoretical studies. In this paper, we consider the nonlinear Boltzmann solution near Maxwellians under in-flow, diffuse, or bounce-back boundary conditions. We demonstrate that discontinuity is created at the non-convex part of the grazing boundary, and then it propagates only along the forward characteristics inside the domain before it hits on the boundary again.     

Entropic lattice Boltzmann method for turbulent flow simulations: Boundary conditions

We introduce a new concept of boundary conditions for realization of the lattice Boltzmann simulations of turbulent flows. The key innovation is the use of a universal distribution function for particles, analogous to the Tamm–Mott-Smith solution for the shock wave in the classical Boltzmann kinetic equation. Turbulent channel flow simulations demonstrate that the new boundary enables accurate results even with severely under-resolved grids. Generalization to complex boundary is illustrated with an example of turbulent flow past a circular cylinder.     

Multiple-relaxation-time lattice Boltzmann model for the convection and anisotropic diffusion equation

A lattice Boltzmann model with a multiple-relaxation-time (MRT) collision operator for the convection–diffusion equation is presented. The model uses seven discrete velocities in three dimensions (D3Q7 model). The off-diagonal components of the relaxation-time matrix, which originate from the rotation of the principal axes, enable us to take into account full anisotropy of diffusion. An asymptotic analysis of the model equation with boundary rules for the Dirichlet and Neumann-type (specified flux) conditions is carried out to show that the model is first- and second-order accurate in time and space, respectively. The results of the analysis are verified by several numerical examples. It is also shown numerically that the error of the MRT model is less sensitive to the variation of the relaxation-time coefficients than that of the classical BGK model. In addition, an alternative treatment for the Neumann-type boundary condition that improves the accuracy on a curved boundary is presented along with a numerical example of a spherical boundary.     

Derivation of Slip boundary conditions for the Navier-Stokes system from the Boltzmann equation

Rarefied gas flow behavior is usually described by the Boltzmann equation, the Navier-Stokes system being valid when the gas is less rarefied. Slip boundary conditions for the Navier-Stokes equations are derived in a rigorous and systematic way from the boundary condition at the kinetic level (Boltzmann equation). These slip conditions are explicitly written in terms of asymptotic behavior of some linear half-space problems. The validity of this analysis is established in the simple case of the Couette flow, for which it is proved that the right boundary conditions are obtained.     

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.     

The Ising Model with Boundaries: Integrability and Functional Relations

In this Letter, we analyse the boundary conditions of the planar Ising model and determine the boundary Boltzmann weights in terms of bulk Boltzmann weights. The commutativity of the transfer matrices and their functional relations are shown.     

Slip Boundary Conditions for the Compressible Navier–Stokes Equations

The slip boundary conditions for the compressible Navier–Stokes equations are derived systematically from the Boltzmann equation on the basis of the Chapman–Enskog solution of the Boltzmann equation and the analysis of the Knudsen layer adjacent to the boundary. The resulting formulas of the slip boundary conditions are summarized with explicit values of the slip coefficients for hard-sphere molecules as well as the Bhatnagar–Gross–Krook model. These formulas, which can be applied to specific problems immediately, help to prevent the use of often used slip boundary conditions that are either incorrect or without theoretical basis.     

A lattice Boltzmann method for nonlinear disturbances around an arbitrary base flow

In this paper we address the problem of the time evolution of a perturbation around a steady base flow with the use of the lattice Boltzmann method (LBM). This approach, named base flow lattice Boltzmann method, is of great interest in particular for aeroacoustic fields where the acoustic perturbation, on the one hand, is almost exclusively influenced by the large scale average structures of the underlying flow, and on the other hand, has a low effect on the large structures. The method is implemented for weakly compressible flows and the results of the base flow lattice Boltzmann are compared with the standard single relaxation time LBM. The boundary conditions for the base flow lattice Boltzmann method are discussed, as well as the implementation of outflow conditions for acoustic waves.     

On diffuse reflection at the boundary for the Boltzmann equation and related equations

The paper considers diffuse reflection at the boundary with nonconstant boundary temperature and unbounded velocities. The solutions obtained are proved to conserve mass at the boundary. After a preliminary study of the collisionless case, the main results obtained are existence for the Boltzmann equation in a DiPerna-Lions framework with the above boundary conditions in a bounded measure sense, and existence together with uniqueness for the BGK equation with Maxwellian diffusion on the boundary in anL framework.Deceased.     

A Characteristic Non-Reflecting Boundary Treatment in Lattice Boltzmann Method

In lattice Boltzmann methods, disturbances develop at the initial stages of the simulation, the decay characteristics depend mainly on boundary treatment methods; open boundary conditions such as equilibrium and bounce-back schemes potentially generate uncontrollable disturbances. Excessive disturbances originate from non-physical reflecting waves at boundaries. Characteristic boundary conditions utilizing the signs of waves at boundaries which suppress these reflecting waves, as well as their implementation in the lattice Boltzmann method, are introduced herein. The performance of our novel boundary treatment method to effectively suppress excessive disturbances is verified by three different numerical experiments.     

A convergent nonequilibrium statistical mechanical theory for dense gases. II. Transport coefficients to first order in the density

Using the two-body distribution function found earlier by the authors with the aid of new boundary conditions, the kinetic equation and the transport coefficients are obtained to zeroth and first order in the density. To zeroth order we recover the Boltzmann kinetic equation. To first order the resulting expressions differ from the ones obtained by Choh and Uhlenbeck, due to effects of the medium.3 Reference 2 will be referred to as I. Here we use the same notation as in I.     

A Poisson–Boltzmann solver on irregular domains with Neumann or Robin boundary conditions on non-graded adaptive grid

We introduce a second-order solver for the Poisson–Boltzmann equation in arbitrary geometry in two and three spatial dimensions. The method differs from existing methods solving the Poisson–Boltzmann equation in the two following ways: first, non-graded Quadtree (in two spatial dimensions) and Octree (in three spatial dimensions) grid structures are used; Second, Neumann or Robin boundary conditions are enforced at the irregular domain’s boundary. The irregular domain is described implicitly and the grid needs not to conform to the domain’s boundary, which makes grid generation straightforward and robust. The linear system is symmetric, positive definite in the case where the grid is uniform, nonsymmetric otherwise. In this case, the resulting matrix is an M-matrix, thus the linear system is invertible. Convergence examples are given in both two and three spatial dimensions and demonstrate that the solution is second-order accurate and that Quadtree/Octree grid structures save a significant amount of computational power at no sacrifice in accuracy.     

Boundary value problems for the steady Boltzmann equation

We discuss steady boundary value problems for the Boltzmann equation with inflow and diffusive boundary conditions in one, two, and three dimensions, with suitable truncations of the collision kernel. General existence and uniqueness results are obtained if the domain is sufficiently small. In one dimension, the existence of solutions on general intervals is obtained by abstract fixed-point theory.     

Boundary conditions for Boltzmann equation and heat transfer between parallel plates

The methods developed for linear transport-relaxation equations are applied to establish boundary conditions for the linearized Boltzmann equation itself. Interfacial entropy production and reciprocity postulate play the decisive roles. Heat transfer between parallel plates as an example.     

A neutral gas model for electron swarms

A BGK-type Boltzmann equation for a neutral gas is considered as a model for electron swarms, because the gas and the electron Boltzmann equation have a common diffusion approximation. Both full- and half-range theory are developed using orthogonality methods of solution. Preliminary comparisons with diffusion theory are presented.     

Alternative boundary conditions for solving optical diffusion equations by a finite difference time domain analysis in three-dimensional scattering medium

Alternative boundary conditions for solving optical diffusion equations in three-dimensional (3-D) scattering medium by a finite difference time domain (FDTD) analysis formulated by the author are proposed. The previous boundary conditions were defined only by fluence rate, which, although essential, is only one factor needed to solve approximated diffusion equations for fluence rate. In this paper, alternative boundary conditions defined both by fluence rate and radiant flux have been proposed for use in the FDTD analysis, which is derived from the two coupled differential equations for fluence rate and radiant flux. It has been become clear that these boundary conditions are almost equivalent to the previous boundary conditions in the FDTD analysis for sufficiently fine grid spacing. For the analysis with coarser grid spacing, the proposed boundary conditions suppress analytical errors, especially in intensity of time-resolved reflectance and transmittance.     

Shape and scale dependent diffusivity of colloidal nanoclusters and aggregates

The diffusion of colloidal nanoparticles and nanomolecular aggregates, which plays an important role in various biophysical and physicochemical phenomena, is currently under intense study. Here, we examine the shape and size dependent diffusion of colloidal nano- particles, fused nanoclusters and nanoaggregates using a hybrid fluctuating lattice Boltzmann-Molecular Dynamics method. We use physically realistic parameters characteristic of an aqueous solution, with explicitly implemented microscopic no-slip and full-slip boundary conditions. Results from nanocolloids below 10?nm in radii demonstrate how the volume fraction of the hydrodynamic boundary layer influences diffusivities. Full-slip colloids are found to diffuse faster than no-slip particles. We also characterize the shape dependent anisotropy of the diffusion coefficients of nanoclusters through the Green-Kubo relation. Finally, we study the size dependence of the diffusion of nanoaggregates comprising N?≤?108 monomers and demonstrate that the diffusion coefficient approaches the continuum scaling limit of N^?1/3.     

A high order cell-centered semi-Lagrangian scheme for multi-dimensional kinetic simulations of neutral gas flows

The term ‘Convected Scheme’ (CS) refers to a family of algorithms, most usually applied to the solution of Boltzmann’s equation, which uses a method of characteristics in an integral form to project an initial cell forward to a group of final cells. As such the CS is a ‘forward-trajectory’ semi-Lagrangian scheme. For multi-dimensional simulations of neutral gas flows, the cell-centered version of this semi-Lagrangian (CCSL) scheme has advantages over other options due to its implementation simplicity, low memory requirements, and easier treatment of boundary conditions. The main drawback of the CCSL-CS to date has been its high numerical diffusion in physical space, because of the 2nd order remapping that takes place at the end of each time step. By means of a modified equation analysis, it is shown that a high order estimate of the remapping error can be obtained a priori, and a small correction to the final position of the cells can be applied upon remapping, in order to achieve full compensation of this error. The resulting scheme is 4th order accurate in space while retaining the desirable properties of the CS: it is conservative and positivity-preserving, and the overall algorithm complexity is not appreciably increased. Two monotone (i.e. non-oscillating) versions of the fourth order CCSL-CS are also presented: one uses a common flux-limiter approach; the other uses a non-polynomial reconstruction to evaluate the derivatives of the density function. The method is illustrated in simple one- and two-dimensional examples, and a fully 3D solution of the Boltzmann equation describing expansion of a gas into vacuum through a cylindrical tube.