Exploration of the coupled lattice Boltzmann model based on a multiphase field model:A study of the solid-liquid-gas interaction mechanism in the solidification process

A multiphase field model coupled with a lattice Boltzmann(PF-LBM)model is proposed to simulate the distribution mechanism of bubbles and solutes at the solid-liquid interface,the interaction between dendrites and bubbles,and the effects of different temperatures,anisotropic strengths and tilting angles on the solidified organization of the SCN-0.24wt.%butanedinitrile alloy during the solidification process.The model adopts a multiphase field model to simulate the growth of dendrites,calculates the growth motions of dendrites based on the interfacial solute equilibrium;and adopts a lattice Boltzmann model(LBM)based on the Shan-Chen multiphase flow to simulate the growth and motions of bubbles in the liquid phase,which includes the interaction between solid-liquid-gas phases.The simulation results show that during the directional growth of columnar dendrites,bubbles first precipitate out slowly at the very bottom of the dendrites,and then rise up due to the different solid-liquid densities and pressure differences.The bubbles will interact with the dendrite in the process of flow migration,such as extrusion,overflow,fusion and disappearance.In the case of wide gaps in the dendrite channels,bubbles will fuse to form larger irregular bubbles,and in the case of dense channels,bubbles will deform due to the extrusion of dendrites.In the simulated region,as the dendrites converge and diverge,the bubbles precipitate out of the dendrites by compression and diffusion,which also causes physical phenomena such as fusion and spillage of the bubbles.These results reveal the physical mechanisms of bubble nucleation,growth and kinematic evolution during solidification and interaction with dendrite growth.

Application of shifted lattice model to 3D compressible lattice Boltzmann method

An additional potential energy distribution function is introduced on the basis of previous D3Q25 model,and the equilibrium distribution function of D3Q25 is obtained by spherical function.A novel three-dimensional(3D)shifted lattice model is proposed,therefore a shifted lattice model is introduced into D3Q25.Under the finite volume scheme,several typical compressible calculation examples are used to verify whether the numerical stability of the D3Q25 model can be improved by adding the shifted lattice model.The simulation results show that the numerical stability is indeed improved after adding the shifted lattice model.

GPU parallel computation of dendrite growth competition in forced convection using the multi-phase-field-lattice Boltzmann model

A graphics-processing-unit(GPU)-parallel-based computational scheme is developed to realize the competitive growth process of converging bi-crystal in two-dimensional states in the presence of forced convection conditions by coupling a multi-phase field model and a lattice Boltzmann model.The elimination mechanism in the evolution process is analyzed for the three conformational schemes constituting converging bi-crystals under pure diffusion and forced convection conditions,respectively,expanding the research of the competitive growth of columnar dendrites under melt convection conditions.The results show that the elimination mechanism for the competitive growth of converging bi-crystals of all three configurations under pure diffusion conditions follows the conventional Walton-Chalmers model.When there is forced convection with lateral flow in the liquid phase,the anomalous elimination phenomenon of unfavorable dendrites eliminating favorable dendrites occurs in the grain boundaries.In particular,the anomalous elimination phenomenon is relatively strong in conformation 1 and conformation 2 when the orientation angle of unfavorable dendrites is small,and relatively weak in conformation 3.Moreover,the presence of convection increases the tip growth rate of both favorable and unfavorable dendrites in the grain boundary.In addition,the parallelization of the multi-phase-field-lattice Boltzmann model is achieved by designing the parallel computation of the model on the GPU platform concerning the computerunified-device-architecture parallel technique,and the results show that the parallel computation of this model based on the GPU has absolute advantages,and the parallel acceleration is more obvious as the computation area increases.

Numerical Stability and Accuracy of Contact Angle Schemes in Pseudopotential Lattice Boltzmann Model for Simulating Static Wetting and Dynamic Wetting

There are five most widely used contact angle schemes in the pseudopotential lattice Boltzmann(LB)model for simulating the wetting phenomenon:The pseudopotential-based scheme(PB scheme),the improved virtualdensity scheme(IVD scheme),the modified pseudopotential-based scheme with a ghost fluid layer constructed by using the fluid layer density above the wall(MPB-C scheme),the modified pseudopotential-based scheme with a ghost fluid layer constructed by using the weighted average density of surrounding fluid nodes(MPB-W scheme)and the geometric formulation scheme(GF scheme).But the numerical stability and accuracy of the schemes for wetting simulation remain unclear in the past.In this paper,the numerical stability and accuracy of these schemes are clarified for the first time,by applying the five widely used contact angle schemes to simulate a two-dimensional(2D)sessile droplet on wall and capillary imbibition in a 2D channel as the examples of static wetting and dynamic wetting simulations respectively.(i)It is shown that the simulated contact angles by the GF scheme are consistent at different density ratios for the same prescribed contact angle,but the simulated contact angles by the PB scheme,IVD scheme,MPB-C scheme and MPB-W scheme change with density ratios for the same fluid-solid interaction strength.The PB scheme is found to be the most unstable scheme for simulating static wetting at increased density ratios.(ii)Although the spurious velocity increases with the increased liquid/vapor density ratio for all the contact angle schemes,the magnitude of the spurious velocity in the PB scheme,IVD scheme and GF scheme are smaller than that in the MPB-C scheme and MPB-W scheme.(iii)The fluid density variation near the wall in the PB scheme is the most significant,and the variation can be diminished in the IVD scheme,MPB-C scheme andMPBWscheme.The variation totally disappeared in the GF scheme.(iv)For the simulation of capillary imbibition,the MPB-C scheme,MPB-Wscheme and GF scheme simulate the dynamics of the liquid-vapor interface well,with the GF scheme being the most accurate.The accuracy of the IVD scheme is low at a small contact angle(44 degrees)but gets high at a large contact angle(60 degrees).However,the PB scheme is the most inaccurate in simulating the dynamics of the liquid-vapor interface.As a whole,it is most suggested to apply the GF scheme to simulate static wetting or dynamic wetting,while it is the least suggested to use the PB scheme to simulate static wetting or dynamic wetting.

Pseudopotential multi-relaxation-time lattice Boltzmann model for cavitation bubble collapse with high density ratio

The dynamics of the cavitation bubble collapse is a fundamental issue for the bubble collapse application and prevention. In the present work, the modified forcing scheme for the pseudopotential multi-relaxation-time lattice Boltzmann model developed by Li Q et al. [ Li Q, Luo K H and Li X J 2013 Phys. Rev. E 87 053301] is adopted to develop a cavitation bubble collapse model. In the respects of coexistence curves and Laplace law verification, the improved pseudopotential multi-relaxation-time lattice Boltzmann model is investigated. It is found that the thermodynamic consistency and surface tension are independent of kinematic viscosity. By homogeneous and heterogeneous cavitation simulation, the ability of the present model to describe the cavitation bubble development as well as the cavitation inception is verified. The bubble collapse between two parallel walls is simulated. The dynamic process of a collapsing bubble is consistent with the results from experiments and simulations by other numerical methods. It is demonstrated that the present pseudopotential multirelaxation-time lattice Boltzmann model is applicable and efficient, and the lattice Boltzmann method is an alternative tool for collapsing bubble modeling.

A LATTICE BOLTZMANN MODEL FOR COMPRESSIBLE PERFECT GAS

A new lattice Boltzmann model for compressible perfect gas is proposed. The numerical example shows that it can be used to simulate shock wave and contact discontinuity. The results are comparable with those obtained by traditional methods. The ratio of specific heats gamma may be chosen according to the requirement of problems.

Boundary scheme for lattice Boltzmann modeling of micro-scale gas flow in organic-rich pores considering surface diffusion

We propose a boundary scheme for addressing multi-mechanism flow in a porous medium in slip and early transition flow regimes, which is frequently encountered in shale gas reservoirs. Micro-gaseous flow in organic-rich shale involves a complex flow mechanism. A self-developed boundary scheme that combines the non-equilibrium extrapolation scheme and the combined diffusive reflection and bounce-back scheme(half-way DBB) to embed the Langmuir slip boundary into the single-relaxation-time lattice Boltzmann method(SRT-LBM) enables us to describe this process, namely, the coupling effect of micro-gaseous flow and surface diffusion in organic-rich nanoscale pores. The present LBM model comes with the careful consideration of the local Knudsen number, local pressure gradient, viscosity correction model, and regularization procedure to account for the rarefied gas flows in irregular pores. Its validity and accuracy are verified by several benchmarking cases, and the calculated results by this boundary scheme accord well with our analytical solutions.This boundary scheme shows a higher accuracy than the existing studies. Additionally, a subiteration strategy is presented to tackle the coupled micro-gaseous flow and surface diffusion, which necessitates the iteration process matching of these two mechanisms. The multi-mechanism flow in the self-developed irregular pores is also numerically investigated and analyzed over a wide range of parameters. The results indicate that the present model can effectively capture the coupling effect of micro-gaseous flow and surface diffusion in a tree-like porous medium.

Study of acoustic bubble cluster dynamics using a lattice Boltzmann model

The search for the development of a reliable mathematical model for understanding bubble dynamics behavior is an ongoing endeavor.A long list of complex phenomena underlies the physics of this problem.In the past decades,the lattice Boltzmann method has emerged as a promising tool to address such complexities.In this regard,we have applied a 121-velocity multiphase lattice Boltzmann model to an asymmetric cluster of bubbles in an acoustic field.A problem as a benchmark is studied to check the consistency and applicability of the model.The problem of interest is to study the deformation and coalescence phenomena in bubble cluster dynamics,as well as the screening effect on an acoustic multibubble medium.It has been observed that the LB model is able to simulate the combination of the three aforementioned phenomena for a bubble cluster as a whole and for every individual bubble in the cluster.

Modified surface tension model for free surface flow with single-phase lattice Boltzmann method

A single-phase lattice Boltzmann model with modified surface tension is developed in this paper to solve the problem of high-density-ratio free surface flow.The computational efficiency and accuracy are both enhanced.The restriction to the relaxation factor （which needs to be smaller than 1） is circumvented by the new surface tension algebra,due to its rational physical nature compared with the treatment of Xing,Buther and Yang in their paper （Comp.Mater.Sci.,2007,39（2）：282-290）.The proposed stable surface tension scheme is applied to simulate the free deformation of a square droplet with surface tension effect and the process of a droplet impinging on a liquid film.The numerical solution for free deformation of a droplet agrees well with thermodynamic principles,and also achieves high accuracy in comparison with Xing,et al.＇s model.Three typical impinging modes are successfully obtained with the new scheme,and another particular mode found by Wang and Chen is also successfully simulated.The evolutions of liquid crown agree well with the power law related to time.

A multicomponent multiphase lattice Boltzmann model with large liquid–gas density ratios for simulations of wetting phenomena

A multicomponent multiphase（MCMP） pseudopotential lattice Boltzmann（LB） model with large liquid–gas density ratios is proposed for simulating the wetting phenomena. In the proposed model, two layers of neighboring nodes are adopted to calculate the fluid–fluid cohesion force with higher isotropy order. In addition, the different-time-step method is employed to calculate the processes of particle propagation and collision for the two fluid components with a large pseudoparticle mass contrast. It is found that the spurious current is remarkably reduced by employing the higher isotropy order calculation of the fluid–fluid cohesion force. The maximum spurious current appearing at the phase interfaces is evidently influenced by the magnitudes of fluid–fluid and fluid–solid interaction strengths, but weakly affected by the time step ratio.The density ratio analyses show that the liquid–gas density ratio is dependent on both the fluid–fluid interaction strength and the time step ratio. For the liquid–gas flow simulations without solid phase, the maximum liquid–gas density ratio achieved by the present model is higher than 1000：1. However, the obtainable maximum liquid–gas density ratio in the solid–liquid–gas system is lower. Wetting phenomena of droplets contacting smooth/rough solid surfaces and the dynamic process of liquid movement in a capillary tube are simulated to validate the proposed model in different solid–liquid–gas coexisting systems. It is shown that the simulated intrinsic contact angles of droplets on smooth surfaces are in good agreement with those predicted by the constructed LB formula that is related to Young＇s equation. The apparent contact angles of droplets on rough surfaces compare reasonably well with the predictions of Cassie＇s law. For the simulation of liquid movement in a capillary tube, the linear relation between the liquid–gas interface position and simulation time is observed, which is identical to the analytical prediction. The simulation results regarding the wetting phenomena of droplets on smooth/rough surfaces and the dynamic process of liquid movement in the capillary tube demonstrate the quantitative capability of the proposed model.

Modeling for Collapsing Cavitation Bubble near Rough Solid Wall by Mulit-Relaxation-Time Pseudopotential Lattice Boltzmann Model

Cavitation bubble collapse near rough solid wall is modeled by the multi-relaxation-time (MRT) pseudopotential lattice Boltzmann (LB) model. The modified forcing scheme, which can achieve LB model’s thermodynamic consistency by tuning a parameter related with the particle interaction range, is adopted to achieve desired stability and density ratio. The bubble collapse near rough solid wall was simulated by the improved MRT pseudopotential LB model. The mechanism of bubble collapse is studied by investigating the bubble profiles, pressure field and velocity field evolution. The eroding effects of collapsing bubble are analyzed in details. It is found that the process and the effect of the interaction between bubble collapse and rough solid wall are affected seriously by the geometry of solid boundary. At the same time, it demonstrates that the MRT pseudopotential LB model is a potential tool for the investigation of the interaction mechanism between the collapsing bubble and complex geometry boundary.

Automatic Evolutionary Modeling by the Lattice-Boltzmann Method

The Lattice-Boltzmann method is an effective tool for solving fluid mechanics problems, but there isn't still a good scheme to determinate some parameters in Boltzmann equations. In this paper, a technique using evolutionary algorithm to automatically model Boltzmann equations is introduced. Numerical simulation shows that the designed scheme is fast and efficient.

Cavitation Bubble Collapse near a Curved Wall by the Multiple-Relaxation-Time Shan-Chen Lattice Boltzmann Model

The cavitation bubble collapse near a cell can cause damage to the cell wall. This effect has received increasing attention in biomedical supersonics. Based on the lattice Boltzmann method, a multiple-relaxation-time Shan–Chen model is built to study the cavitation bubble collapse. Using this model, the cavitation phenomena induced by density perturbation are simulated to obtain the coexistence densities at certain temperature and to demonstrate the Young–Laplace equation. Then, the cavitation bubble collapse near a curved rigid wall and the consequent high-speed jet towards the wall are simulated. Moreover, the influences of initial pressure difference and bubble-wall distance on the cavitation bubble collapse are investigated.

Relaxation-rate formula for the entropic lattice Boltzmann model

A relaxation-rate formula is presented for the entropic lattice Boltzmann model(ELBM) - a discrete kinetic theory for hydrodynamics. The simple formula not only guarantees the discrete time H-theorem but also gives full consideration to the consistency with hydrodynamics. The relaxation rate calculated with the formula effectively characterizes the drastic changes of the flow fields. By using this formula, the computational cost of the ELBM is significantly reduced and the model now can be efficiently used for a broad range of applications including high Reynolds number flows.

An improved lattice Boltzmann model for high gas and liquid density ratio in composite grids

Lattice Boltzmann method is one of the widely used in multiphase fluid flow.However,the two main disadvantages of this method are the instability of numerical calculations due to the large density ratio of two phases and impossibility of the temperature distribution to be fed back into the velocity distribution function when the temperature is simulated.Based on the combination prescribed by Inamuro,the large density ratio two-phase flow model and thermal model makes the density ratio of the model simulation to be increased to 2778:1 by optimizing the interface distribution function of two-phase which improves the accuracy of differential format.The phase transition term is added as source term into the distribution function controlling two phase order parameters to describe the temperature effect on the gas-liquid phase transition.The latent heat generated from the phase change is also added as a source term into the temperature distribution function which simulates the movement of the flow under the common coupling of density,velocity,pressure and temperature.The density and the temperature distribution of single bubble are simulated.Comparison of the simulation results with experimental results indicates a good agreement pointing out the effectiveness of the improved model.

Simulation of two-phase flows of a droplet impacting on a liquid film with an improved lattice Boltzmann model

Based on the lattice Boltzmann method（LBM）,an improved pseudo-potential model,combined with a method of adding force term,is used to simulate the two-phase flows caused by a liquid droplet impacting on a liquid film.In this model,the different phases are treated as one fluid,and the interfaces between the vapor and liquid phases can be obtained by density value of the fluid.This variant of the LBM allows one to obtain the densities of vapor and liquid with high accuracy.The model is validated by an example of phase separation.The early stage of the impact of droplet on liquid film is simulated,and the results are qualitatively consistent with physical phenomena.

Wind-Driven,Double-Gyre,Ocean Circulation in a Reduced-Gravity,2.5-Layer,Lattice Boltzmann Model

A coupled lattice Boltzmann （LB） model with second-order accuracy is applied to the reduced-gravity, shallow water, 2.5-layer model for wind-driven double-gyre ocean circulation. By introducing the secondorder integral approximation for the collision operator, the model becomes fully explicit. The Coriolis force and other external forces are included in the model with second-order accuracy, which is consistent with the discretization accuracy of the LB equation. The feature of the multiple equilibria solutions is found in the numerical experiments under different Reynolds numbers based on this LB scheme. With the Reynolds number increasing from 3000 to 4000, the solution of this model is destabilized from the anti-symmetric double-gyre solution to the subtropic gyre solution and then to the subpolar gyre solution. The transitions between these equilibria states are also found in some parameter ranges. The time-dependent variability of the circulation based on this LB simulation is also discussed for varying viscosity regimes. The flow of this model exhibits oscillations with different timescales varying from subannual to interannual. The corresponding statistical oscillation modes are obtained by spectral analysis. By analyzing the spatiotemporal structures of these modes, it is found that the subannual oscillation with a 9-month period originates from the barotropic Rossby basin mode, and the interarmual oscillations with periods ranging from 1.5 years to 4.6 years originate from the recirculation gyre modes, which include the barotropic and the baroclinic recirculation gyre modes.

Effective thermal conductivity in granular media with devolatilization:the Lattice Boltzmann modelling

Flow thermomechanics in reactive porous media is of importance in industry including the thermal processing of fossil fuel(coking understood as a slow pyrolysis)involving devolatilisation.On the way to provide a detailed description of the process,a multi-scale approach was chosen to estimate effective transport coefficients.For this case the Lattice Boltzmann method(LBM)was used due to its advantages to accurately model multi-physics and chemistry in a random geometry of granular media.After account for earlier studies,the paper presents description of the model with improved boundary conditions and a benchmark case.Results from meso-scale LBM calculations are presented and discussed regarding the spatial resolution and the choice of relaxation parameter along its influence on the accuracy compared with empirical formulae.Regarding the estimation of effective thermal conductivity coefficient it is shown that occurrence of devolatilization has a crucial effect by reducing heat transfer.Some quantitative results characterise the propagation of thermal front;also presented is the evolution of effective thermal conductivity.The work is a step forward towards a physically sound simulation of thermal processing of fossil fuel.

Aerodynamic Simulation of Low Mach Turbulent Jets with Lattice Boltzmann Models

The lattice Boltzmann method (LBM) is a numerical simplification of the Boltzmann equation of the kinetic theory of gases that describes fluid motions by tracking the evolution of the particle velocity distribution function based on linear streaming with nonlinear collision. To verify the reliability and accuracy of the model simulation of incompressible fluid flow, we program to simulate two-dimensional Poiseuille flow which has the analytical solution by using the three mode: D2Q9 model, He-Luo model, Guo model (D2G9). The tests show that the Guo model gives better results. So, in the article, the Guo model is used to stimulate the jet flow field, then the result of which is compared to the result from the experience. The research of this article is the first step to make use of the LBM on the aeroacoutics of jet flow and to provide a theoretical basis on jet aeroacoustics for further study.

非平衡与多相复杂系统模拟研究——Lattice Boltzmann动理学理论与应用

在自然界和工程物理领域存在大量的非平衡、多相等复杂系统和复杂行为。Lattice Boltzmann(LB)方法起源于复杂系统复杂行为研究的格子气或元胞自动机模型;其中,现代版的Lattice Boltzmann Kinetic Model(LBKM)植根于非平衡统计物理学的基本方程—Boltzmann方程。本文从物理学视角评述LB方法,给出单松弛因子和多松弛因子LBKM构建的统一理论,介绍其在非平衡与多相复杂系统研究方面的应用。简单列举LB在多相流、可压流、材料动理学等方面的进展,重点介绍使用LB研究流体界面不稳定性、燃烧等问题的工作。本文所重点传递的信息为:可以通过宏观量研究系统的非平衡行为、可以提供系统偏离热力学平衡引发的宏观效应是LBKM建模优越于宏观连续介质建模的地方;除了可以从更基本的层面理解相应物理系统的特征、机制和规律外,这类研究结果可以为现有程序或软件中宏观模型的改进(例如修正项的构造)提供物理参考。