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.

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.

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.

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.

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.

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.

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.

Lattice Boltzmann modeling and simulation of compressible flows

In this mini-review we summarize the progress of Lattice Boltzmann （LB） modeling and simulating compressible flows in our group in recent years. Main contents include （i） Single-Relaxation-Time （SRT） LB model supplemented by additional viscosity, （ii） Multiple-Relaxation-Time （MRT） LB model, and （iii） LB study on hydrodynamic instabilities. The former two belong to improvements of physical modeling and the third belongs to simulation or application. The SRT-LB model sup- plemented by additional viscosity keeps the original framework of Lattice Bhatnagar-Gross Krook （LBGK）. So, it is easier and more convenient for previous SRT-LB users. The MRT-LB is a com- pletely new framework for physical modeling. It significantly extends the range of LB applications. The cost is longer computational time. The developed SRT-LB and MRT-LB are complementary from the sides of convenience and applicability.

Lattice Boltzmann model for simulation on leaching process of weathered elution-deposited rare earth ore

The lattice Boltzmann model with coupled chemical reaction was proposed to simulate the ion exchange process of rare earth leaching and verified by comparison with both empirical correlation of mass transfer coefficient and unreacted-core shrinking model. By simulation, the zonation phenomenon of leaching reagent in the leaching column was presented, and the breakthrough curve of leaching reagent was obtained. When t=50 s, there existed the saturated and exchange zones, and the leaching reagent concentration decreased gradually from 20 to 9.3 g/L. In accordance with the breakthrough curve, the breakthrough capacity of ion-type rare earth ore and the adsorbed ion concentration of leaching reagent were derived, the time of t=25 s was the breakthrough point of ammonium ion in leaching reagent and the breakthrough capacity of the rare earth ore was 125 g/L. Besides, the chemical kinetics parameters used for the solute transfer process of rare earth leaching were obtained by the simulation and then were used to determine the rate-limiting steps of rare earth leaching process.

A LATTICE BOLTZMANN MODELING FOR THE WESTERN BOUNDARY CURRENT IN A LINEAR WIND-DRIVEN QUASI-GEOSTROPHIC MODEL

The linear barotropic vorticity equation describing wind-driven oceancirculation is considered as a convection-diffusion equation that can be numerically solved bylattice Boltzmann method. Numerical experiments are carried out to examine the validity of the modelfor the wind-driven circulation. When horizontal viscosity is constant and spatially uniform, allnumerical solutions for different parameters approach analytical solutions well. The spatiallyvarying horizontal viscosity is also included in this model. It is shown that the variant horizontalviscosity increases the meridional transport significantly in west boundary current. By theinvestigation of numerical results, it was concluded that this model is competent for simulatingwestern boundary current.

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.

Investigation of cavitation bubble collapse in hydrophobic concave using the pseudopotential multi-relaxation-time lattice Boltzmann method

The interaction between cavitation bubble and solid surface is a fundamental topic which is deeply concerned for the utilization or avoidance of cavitation effect.The complexity of this topic is that the cavitation bubble collapse includes many extreme physical phenomena and variability of different solid surface properties.In the present work,the cavitation bubble collapse in hydrophobic concave is studied using the pseudopotential multi-relaxation-time lattice Boltzmann model(MRT-LB).The model is modified by involving the piecewise linear equation of state and improved forcing scheme.The fluid-solid interaction in the model is employed to adjust the wettability of solid surface.Moreover,the validity of the model is verified by comparison with experimental results and grid-independence verification.Finally,the cavitation bubble collapse in a hydrophobic concave is studied by investigating density field,pressure field,collapse time,and jet velocity.The superimposed effect of the surface hydrophobicity and concave geometry is analyzed and explained in the framework of the pseudopotential LBM.The study shows that the hydrophobic concave can enhance cavitation effect by decreasing cavitation threshold,accelerating collapse and increasing jet velocity.

Continuous droplet rebound on heated surfaces and its effects on heat transfer property: A lattice Boltzmann study

A thermal multiphase lattice Boltzmann(LB) model is used to study the behavior of droplet impact on hot surface and the relevant heat transfer properties.After validating the correctness of the codes through the D^(2) law,the simulations of intrinsic contact angle and the temperature-dependent surface tension are performed.The LB model is then used to simulate the droplet impact on smooth and micro-hole heated surface.On the smooth surface,the impinging droplet is reluctant to rebound,unless the intrinsic wettability of the solid surface is fairly good.On the micro-hole surface,however,the micro-holes provide favorable sites for generating a high-pressure vapor cushion underneath the impinging droplet,which thereby facilitates the continuous droplet rebound.For the continuously rebounding droplet.The time evolution of volume and temperature display obvious oscillations.The achievable height of the rebounding droplet increases as the intrinsic wettability of the solid surface becomes better,and the maximum transient heat flux is found to be directly proportional to the droplet rebounding height.Within a certain time interval,the continuous rebounding behavior of the droplet is favorable for enhancing the total heat quantity/heat transfer efficiency,and the influence of intrinsic wettability on the total heat during droplet impingement is greater than that of the superheat.The LB simulations not only present different states of droplets on hot surfaces,but also guide the design of the micro-hole surface with desirable heat transfer properties.

Pore-Scale Investigation of Coupled Two-Phase and Reactive Transport in the Cathode Electrode of Proton Exchange Membrane Fuel Cells

A three-dimensional multicomponent multiphase lattice Boltzmann model(LBM)is established to model the coupled two-phase and reactive transport phenomena in the cathode electrode of proton exchange membrane fuel cells.The gas diff usion layer(GDL)and microporous layer(MPL)are stochastically reconstructed with the inside dynamic distribution of oxygen and liquid water resolved,and the catalyst layer is simplifi ed as a superthin layer to address the electrochemical reaction,which provides a clear description of the fl ooding eff ect on mass transport and performance.Diff erent kinds of electrodes are reconstructed to determine the optimum porosity and structure design of the GDL and MPL by comparing the transport resistance and per-formance under the fl ooding condition.The simulation results show that gradient porosity GDL helps to increase the reactive area and average concentration under fl ooding.The presence of the MPL ensures the oxygen transport space and reaction area because liquid water cannot transport through micropores.Moreover,the MPL helps in the uniform distribution of oxygen for an effi cient in-plane transport capacity.Crack and perforation structures can accelerate the water transport in the assembly.The systematic perforation design yields the best performance under fl ooding by separating the transport of liquid water and oxygen.

Direct numerical simulation of particle-fluid systems by combining time-driven hard-sphere model and lattice Boltzmann method

A coupled numerical method for the direct numerical simulation of particle-fluid systems is formulated and implemented, resolving an order of magnitude smaller than particle size. The particle motion is described by the time-driven hard-sphere model, while the hydrodynamic equations governing fluid flow are solved by the lattice Boltzmann method （LBM）, Particle-fluid coupling is realized by an immersed boundary method （IBM）, which considers the effect of boundary on surrounding fluid as a restoring force added to the governing equations of the fluid. The proposed scheme is validated in the classical flow-around-cylinder simulations, and preliminary application of this scheme to fluidization is reported, demonstrating it to be a promising computational strategy for better understanding complex behavior in particle-fluid systems.

Validation of EMMS-based drag model using lattice Boltzmann simulations on GPUs

lnterphase momentum transport in heterogeneous gas-solid systems with multi-scale structure is of great importance in process engineering. In this article, lattice Boltzmann simulations are performed on graphics processing units （GPUs）, the computational power of which exceeds that of CPUs by more than one order of magnitude, to investigate incompressible Newtonian flow in idealized multi-scale particle-fluid systems. The structure consists of a periodic array of clusters, each constructed by a bundle of cylinders. Fixed pressure boundary condition is implemented by applying a constant body force to the flow through the medium. The bounce-back scheme is adopted on the fluid-solid interfaces, which ensures the no-slip boundary condition. The structure is studied under a wide range of particle diameters and packing fractions, and the drag coefficient of the structure is found to be a function of voidages and fractions of the clusters, besides the traditional Reynolds number and the solid volume fractions. Parameters reflecting multi-scale characters are, therefore, demonstrated to be necessary in quantifying the drag force of heterogeneous gas-solid system. The numerical results in the range 0.1 〈 Re 〈 10 and 0 〈 Ф 〈 0.25 are compared with Wen and Yu＇s correlation, Gibilaro equation, EMMS-based drag model, the Beetstra correlation and the Benyahia correlation, and good agreement is found between the simulations and the EMMS-based drag model for heterogeneous systems.

NUMERICAL STUDY OF WALL WETTABILITIES AND TOPOGRAPHY ON DRAG REDUCTION EFFECT IN MICRO-CHANNEL FLOW BY LATTICE BOLTZMANN METHOD

The dynamics of two-phase flows with a constant driving force inside a micro-channel is studied by using the Lattice Boltzmann Method （LBM） and the Shan-Chen multiphase model in this article. Flow regimes under different wall wettabilities and over smooth and grooved geometric surfaces are investigated. It is found that flow behaviors are strongly affected by the wall wettability and topography. Our results show that the LBM is efficient and accurate, and has very good application prospect in the study of drag reduction of microscopic seepage of reservoir.

A Hybrid Lattice Boltzmann Flux Solver for Simulation of Viscous Compressible Flows

In this paper,a hybrid lattice Boltzmann flux solver(LBFS)is proposed for simulation of viscous compressible flows.In the solver,the finite volume method is applied to solve the Navier-Stokes equations.Different from conventional Navier-Stokes solvers,in this work,the inviscid flux across the cell interface is evaluated by local reconstruction of solution using one-dimensional lattice Boltzmann model,while the viscous flux is still approximated by conventional smooth function approximation.The present work overcomes the two major drawbacks of existing LBFS[28–31],which is used for simulation of inviscid flows.The first one is its ability to simulate viscous flows by including evaluation of viscous flux.The second one is its ability to effectively capture both strong shock waves and thin boundary layers through introduction of a switch function for evaluation of inviscid flux,which takes a value close to zero in the boundary layer and one around the strong shock wave.Numerical experiments demonstrate that the present solver can accurately and effectively simulate hypersonic viscous flows.

Quantitative characterization of irregular microfracture network and its effect on the permeability of porous media

Based on the comprehensive understanding on microfractures and matrix pores in reservoir rocks,numerical algorithms are used to construct fractured porous media and fracture-pore media models.Connectivity coefficient and strike factor are introduced into the models to quantitatively characterize the connectivity and strike of fracture network,respectively.The influences of fracture aperture,fracture strike and fracture connectivity on the permeability of porous media are studied by using multi-relaxation-time lattice Boltzmann model to simulate fluid flow in them.The greater the strike factor and the smaller the tortuosity of the fractured porous media,the greater the permeability of the fractured porous media.The greater the connectivity coefficient of the fracture network is,the greater the permeability of the fracture-pore media is,and the more likely dominant channel effect occurs.The fracture network connectivity has stronger influence on seepage ability of fracture-pore media than fracture aperture and fracture strike.The tortuosity and strike factor of fracture network in fractured porous media are in polynomial relation,while the permeability and fracture network connectivity coefficient of the fracture-pore media meet an exponential relation.

Multiple Relaxation Time Lattice Boltzmann Simulation of 2D Natural Convection in a Square Cavity at High Rayleigh Numbers

Natural convection in a square cavity at high Rayleigh numbers is simulated by multiple relaxation time(MRT)lattice Boltzmann method(LBM)with a separate distribution function to solve the temperature.The Rayleigh numbers examined here range from Ra=103 to Ra=10^(8).For Rayleigh numbers below 10^(8),the flow remains stationary and transition occurs beyond Ra=2×10^(8).Unsteady results at higher Rayleigh numbers(Ra=10^(9) and Ra=10^(10))are also investigated.To the best of our knowledge,this is the first accurate study which involves the high Rayleigh numbers Ra=10^(9),10^(10).