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lattice boltzmann study of three-dimensional immiscible Rayleigh-Taylor instability in turbulent mixing stage

Frontiers of physics 2022年第5期17卷 113-124页

作者： Bin Liu Chunhua Zhang Qin Lou Hong Liang Department of Physics Hangzhou Dianzi UniversityHangzhou 310018China Department of Mechanics and Aerospace Engineering Southern University of Science and TechnologyShenzhen 518055China School of Energy and Power Engineering University of Shanghai for Science and TechnologyShanghai 200093China

In this paper,we numerically studied the late-time evolutional mechanism of three-dimensional(3D)single-mode immiscible Rayleigh–Taylor instability(RTI)by using an improved lattice boltzmann multiphase method implemented on graphics processing units.The influences of extensive dimensionless Reynolds numbers and Atwood numbers on phase interfacial dynamics,spike and bubble growth were investigated in details.The longtime numerical experiments indicate that the development of 3D singlemode RTI with a high Reynolds number can be summarized into four different stages:linear growth stage,saturated velocity growth stage,reacceleration stage and turbulent mixing stage.A series of complex interfacial structures with large topological changes can be observed at the turbulent mixing stage,which always preserve the symmetries with respect to the middle axis for a low Atwood number,and the lines of symmetry within spike and bubble are broken as the Atwood number is increased.Five statistical methods for computing the spike and bubble growth rates were then analyzed to reveal the growth law of 3D single-mode RTI in turbulent mixing stage.It is found that the spike late-time growth rate shows an overall increase with the Atwood number,while the bubble growth rate experiences a slight decrease with the Atwood number at first and then basically maintains a steady value of around 0.1.When the Reynolds number decreases,the later stages cannot be reached gradually and the evolution of phase interface presents a laminar flow state.

关键词： lattice boltzmann phase field Rayleigh-Taylor instability computational fluid dynamics interfacial instability

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lattice boltzmann Modeling of Miscible Multicomponent Gas Mixtures in the Rarefied Regime

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Communications in Computational Physics 2022年第9期32卷 1179-1216页

作者： Michel Ho Sami Ammar Sebastien Leclaire Marcelo Reggio Jean-Yves Trepanier Departement of Mechanical Engineering Polytechnique Montreal2500 Chemin de PolytechniqueMontreal H3T 1J4Canada

An extension to rarefied flow regimes of the lattice boltzmann methodbased model for miscible mixtures developed by Vienne et al.(Physical Review E 100.2(2019):023309)is presented.The model is applied to study the gas phase separation phenomenon in mixture flows that traditional macroscopic approaches fail to predict.The extension includes a wall function approach with an empirical coefficient to define an effectivemean free path in solid geometries,which locally defines the kinematic viscosity and binary diffusion coefficients.The algorithm is also modified by a local multi-relaxation time collision operator and slip boundary conditions at solid walls.Gaseous mixture flow simulations are conducted through a 2D plane microchannel within the slip and early transition flow regimes.Despite a miscible gaseous phase,the mixture loses its homogeneity and independent velocity profiles for each component are observed in the rarefied regime and captured with the current modeling.In addition,the gas separation phenomenon increases with the rarefaction rate and the molecular mass ratio.The individual treatment of the species within mixture flows in the developed lattice boltzmann model helps understanding the increasing independent behavior of the individual specieswithin themixture as the regime becomesmore rarefied.

关键词： lattice boltzmann gaseous mixtures rarefied regimes

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Chromodynamic lattice boltzmann Method for the Simulation of Drops,Erythrocytes,and other Vesicles

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Communications in Computational Physics 2023年第1期33卷 283-309页

作者： J.Spendlove X.Xu T.Schenkel J.P.Gunn I.Halliday Department of Engineering and Mathematics Sheffield Hallam UniversityHoward StreetS11WBUK Materials&Engineering Research Institute Sheffield Hallam UniversityHoward StreetS11WBUK Department of Infection Immunity and Cardiovascular DiseaseThe Medical SchoolBeech Hill RoadSheffieldS102RXUK

Recently,we have validated a three-dimensional,single framework multicomponent lattice boltzmann method,modified to generate vesicles(rather than drops)[“Three-dimensional single framework multicomponent lattice boltzmann equation method for vesicle hydrodynamics,”Phys.Fluids 33,077110(2021)].This approach implements an immersed boundary force distribution,characterised by bending rigidity,surface tension,preferred curvature and conserved membrane area,in which work we successfully validated isolated vesicle flows against other methodologies and experiment.Like most immersed boundary algorithms,our method relies on numerical computation of high-order spatial derivatives and an intricate body force density.The next step is to verify that it has sufficient numerical stability to address the anticipated application of high volume fraction flows of highly deformable objects in intimate interaction.It is this in silico verification-of both the class of fluid object attainable and the stability of the later in strong,straining and shearing flows which is at issue,here.We extend our method to simulate multiple variously deflated vesicles and multiple liquid droplets still within a single framework,from which our fluid objects emerge as particular parameterisations.We present data from simulations containing up to four vesicles(five immiscible fluid species),which threshold verifies that simulations containing unlimited fluid objects are possible[“Modeling the flow of dense suspensions of deformable particles in three dimensions,”Phys.Rev.E 75,066707(2007)].These data also assure the ability of our immersed boundary forcing to preserve the character and integrity of fluid objects in interactions characterised by large local velocity gradients(intimate squeezing,shearing and elongational straining).Throughout,we take interfacial or membrane area,A,as a proxy for stability and physical veracity.

关键词： lattice boltzmann membranes vesicles

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Multiscale Hybrid Modeling of Proteins in Solvent:SARS-CoV2 Spike Protein as Test Case for lattice boltzmann-All Atom Molecular Dynamics Coupling

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Communications in Computational Physics 2023年第1期33卷 57-76页

作者： Marco Lauricella Letizia Chiodo Fabio Bonaccorso Mihir Durve Andrea Montessori Adriano Tiribocchi Alessandro Loppini Simonetta Filippi Sauro Succi Consiglio Nazionale delle Ricerche Istituto per le Applicazioni del Calcolo IAC-CNR00185Rome Italy Engineering Department Campus Bio-Medico University00128RomeItaly Physics Department and INFN University of Rome“Tor Vergata”00133 RomeItaly Istituto Italiano di Tecnologia Center for Life Nano-&Neuro-Science@Sapienza-IIT00161RomeItaly Engineering Department Universit´a degli Studi Roma TREvia Vito Volterra 62Rome00146Italy

Physiological solvent flows surround biological structures triggering therein collective motions.Notable examples are virus/host-cell interactions and solventmediated allosteric regulation.The present work describes a multiscale approach joining the lattice boltzmann fluid dynamics(for solvent flows)with the all-atom atomistic molecular dynamics(for proteins)to model functional interactions between flows and molecules.We present,as an applicative scenario,the study of the SARS-CoV-2 virus spike glycoprotein protein interacting with the surrounding solvent,modeled as a mesoscopic fluid.The equilibriumproperties of the wild-type spike and of the Alpha variant in implicit solvent are described by suitable observables.The mesoscopic solvent description is critically compared to the all-atom solvent model,to quantify the advantages and limitations of the mesoscopic fluid description.

关键词： SARS-CoV-2 biophysics lattice boltzmann molecular dynamics

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lattice-boltzmann MODEL FOR COMPRESSIBLE PERFECT GASES

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Acta Mechanica Sinica 2000年第4期16卷 289-300页

作者：孙成海 State Key Laboratory of Tribology Department of Engineering MechanicsTsinghua UniversityBeijing 100084China

We present an adaptive lattice boltzmann model to simulate super- sonic flows.The particle velocities are determined by the mean velocity and internal energy.The adaptive nature of particle velocities permits the mean flow to have high Mach number.A particle potential energy is introduced so that the model is suitable for the perfect gas with arbitrary specific heat ratio.The Navier-Stokes equations are derived by the Chapman-Enskog method from the BGK boltzmann equation. As preliminary tests,two kinds of simulations have been performed on hexagonal lattices.One is the one-dimensional simulation for sinusoidal velocity distributions. The velocity distributions are compared with the analytical solution and the mea- sured viscosity is compared with the theoretical values.The agreements are basically good.However,the discretion error may cause some non-isotropic effects.The other simulation is the 29 degree shock reflection.

关键词： lattice boltzmann Euler equation N-S equation adaptive velocities perfect gas

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lattice boltzmann Methods for Multiphase Flow Simulations across Scales

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Communications in Computational Physics 2011年第2期9卷 269-296页

作者： Giacomo Falcucci Stefano Ubertini Chiara Biscarini Silvia Di Francesco Daniele Chiappini Silvia Palpacelli Alessandro De Maio Sauro Succi Department of Technologies University of Naples“Parthenope”Centro Direzionale-Isola C480143 NaplesItaly Department of Mechanical Engineering University of Rome“Tor Vergata”Viale PolitecnicoRomeItaly H2CU Honors Center of Italian Universities-University of Rome“La Sapienza”RomeItaly Istituto Applicazioni Calcolo CNRVia dei Taurini 900185 RomeItaly Water Resources Research and Documentation Centre University for ForeignersVilla La ColombellaPerugiaItaly Department of Civil and Environmental Engineering University of PerugiaVia G.Duranti 93PerugiaItaly Nu.M.I.D.I.A.srl Via Berna 3100184 RomaItaly

The simulation of multiphase flows is an outstanding challenge,due to the inherent complexity of the underlying physical phenomena and to the fact that multiphase flows are very diverse in nature,and so are the laws governing their dynamics.In the last two decades,a new class of mesoscopic methods,based on minimal lattice formulation of boltzmann kinetic equation,has gained significant interest as an efficient alternative to continuum methods based on the discretisation of the NS equations for non ideal fluids.In this paper,three different multiphase models based on the lattice boltzmann method(LBM)are discussed,in order to assess the capability of the method to deal with multiphase flows on a wide spectrum of operating conditions and multiphase phenomena.In particular,the range of application of each method is highlighted and its effectiveness is qualitatively assessed through comparison with numerical and experimental literature data.

关键词： lattice boltzmann multiphase flows

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lattice-boltzmann Models for Heat Transfer

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Communications in Nonlinear Science and Numerical Simulation 1997年第4期2卷 212-216页

作者： Chenghai SUN,Zujun XU,Baoguo WANG &Mengyu SHEN (Dept. of Engineering Mechanics,Tsing- hua University,Beijing,1 0 0 0 84) Department of Engineering Mechanics Tsinghua University Beijing 100084 China

A multispeed heat transfer lattice boltzmann model is presented. The model possesses the perfect gas state equation with arbitrary special heat ratio. The macroscopic conservation equations are derived by the Chapman- Enskog method.The one dimensional simulation for the sinusoidal energy distributions are compared with the theoretical results, showing good agreement.The theoretical conductivity in the energy equation is in accordance with the simulations.

关键词： lattice boltzmann heat transfer perfect gas

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lattice boltzmann Method for Simulating the Temperature Jump and Velocity Slip in Microchannels

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Communications in Computational Physics 2007年第6期2卷 1125-1138页

作者： Lin Zheng Bao-Chang Shi Zhen-Hua Chai Department of Mathematics Huazhong University of Science and TechnologyWuhan 430074China State Key Laboratory of Coal Combustion Huazhong University of Science and TechnologyWuhan 430074China.

The velocity slip and temperature jump in micro-Couette flow are investigated with the lattice boltzmann method(LBM).A new slip boundary condition with the non-equilibrium extrapolation scheme is used in a thermal lattice boltzmann model(TLBM)where double distribution functions are used to simulate the velocity and the temperature fields in order to capture the velocity slip and the temperature jump of the wall boundary.The simulated velocity and temperature profiles are in good agreement with the analytic results,which shows the suitability of the present model and the new boundary treatment for describing thermal microflows with viscous heat dissipation.

关键词： lattice boltzmann velocity slip temperature jump.

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lattice boltzmann Simulation of Cavitating Flows

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Communications in Computational Physics 2013年第3期13卷 685-695页

作者： Giacomo Falcucci Stefano Ubertini Gino Bella Sauro Succi Department of Technologies University of Naples“Parthenope”Centro Direzionale-Isola C480143 NaplesItaly DEIM-Industrial Engineering School University of TusciaLargo dell’Universita s.n.c.01100ViterboItaly Department of Mechanical Engineering University of“Tor Vergata”Viale PolitecnicoRomeItaly Istituto per le Applicazioni del Calcolo-CNR Via dei Taurini00100 RomaItaly

The onset of cavitating conditions inside the nozzle of liquid injectors is known to play a major role on spray characteristics,especially on jet penetration and break-up.In this work,we present a Direct Numerical Simulation(DNS)based on the lattice boltzmann Method(LBM)to study the fluid dynamic field inside the nozzle of a cavitating injector.The formation of the cavitating region is determined via a multi-phase approach based on the Shan-Chen equation of state.The results obtained by the LBM simulation show satisfactory agreement with both numerical and experimental data.In addition,numerical evidence of bubble break-up,following upon flow-induced cavitation,is also reported.

关键词： lattice boltzmann multiphase flows cavitation liquid spray nozzle

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lattice boltzmann Modeling of Advection-Diffusion-Reaction Equations:Pattern Formation Under Uniform Differential Advection

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Communications in Computational Physics 2013年第3期13卷 741-756页

作者： S.G.Ayodele D.Raabe F.Varnik Max-Planck Institut fur EisenforschungMax-Planck StraBe 140237DusseldorfGermany Interdisciplinary Center for Advanced Materials Simulation Ruhr University BochumStiepeler StraBe 12944780 BochumGermany

A lattice boltzmann model for the study of advection-diffusion-reaction(ADR)problems is proposed.Via multiscale expansion analysis,we derive from the LB model the resulting macroscopic equations.It is shown that a linear equilibrium distribution is sufficient to produce ADR equations within error terms of the order of the Mach number squared.Furthermore,we study spatially varying structures arising from the interaction of advective transport with a cubic autocatalytic reaction-diffusion process under an imposed uniform flow.While advecting all the present species leads to trivial translation of the Turing patterns,differential advection leads to flow induced instability characterized with traveling stripes with a velocity dependent wave vector parallel to the flow direction.Predictions from a linear stability analysis of the model equations are found to be in line with these observations.

关键词： Advective transport differential advection Turing patterns linear stability lattice boltzmann

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