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A. J. Wagner

Publications and source records attributed to A. J. Wagner.

At least 19 recordsLinked to original sources
arXiv2012

A fluctuating lattice-Boltzmann method with improved Galilean invariance

In this paper we show that standard implementations of fluctuating Lattice Boltzmann methods do not obey Galilean invariance at a fundamental level. In trying to remedy this we are led to a novel kind of multi-relaxation time lattice Boltzmann methods where the collision matrix depends on the local velocity. This new method is conceptually elegant but numerically inefficient. With a small numerical trick, however, this method recovers nearly the original efficiency and allows the practical implementation of fluctuating lattice Boltzmann methods with significantly improved Galilean invariance. This will be important for applications of fluctuating lattice Boltzmann for non-equilibrium systems involving strong flow fields.

physics.comp-ph↗
arXiv2011

Survey of Morphologies Formed in the Wake of an Enslaved Phase-Separation Front in Two Dimensions

A phase-separation front will leave in its wake a phase-separated morphology that differs markedly from homogeneous phase-separation morphologies. For a purely diffusive system such a front, moving with constant velocity, will generate very regular, non-equilibrium structures. We present here a numerical study of these fronts using a lattice Boltzmann method. In two dimensions these structures are regular stripes or droplet arrays. In general the kind and orientation of the selected morphology and the size of the domains depends on the speed of the front as well as the composition of the material overtaken by the phase-separation front. We present a survey of morphologies as a function of these two parameters. We show that the resulting morphologies are initial condition dependent. We then examine which of the potential morphologies is the most stable. An analytical analysis for symmetrical compositions predicts the transition point from orthogonal to parallel stripes.

cond-mat.soft↗
arXiv2009

Enslaved Phase-Separation Fronts and Liesegang Pattern Formation

We show that an enslaved phase-separation front moving with diffusive speeds U = C T^(-1/2) can leave alternating domains of increasing size in their wake. We find the size and spacing of these domains is identical to Liesegang patterns. For equal composition of the components we are able to predict the exact form of the pattern analytically. We also show that there is a critical value for C below which only two domains are formed. Our analytical predictions are verified by numerical simulations using a lattice Boltzmann method.

cond-mat.soft↗
arXiv2009

Fluid dynamics video of domains with spiral dislocations formed in the wake of an enslaved phase-separation front

Enslaved phase-separation fronts that move with a speed just smaller than that of a free front will leave in their wake a morphology of alternating domains that are roughly aligned with the front. However, these alternating domains will typically not be in phase initially. Instead there are defects. Here we present novel phase-separation morphologies that are formed in such systems where the defects are reminiscent of spiral dislocations in crystal growth.

physics.flu-dyn↗
arXiv2008

Enslaved Phase-Separation Fronts in One-Dimensional Binary Mixtures

Phase-separation fronts leave in their wakes morphologies that are substantially different from the morphologies formed in homogeneous phase-separation. In this paper we focus on fronts in binary mixtures that are enslaved phase-separation fronts, i.e. fronts that follow in the wake of a control-parameter front. In the one-dimensional case, which is the focus of this paper, the formed morphology is deceptively simple: alternating domains of a regular size. However, determining the size of these domains as a function of the front speed and other system parameters is a non-trivial problem. We present an analytical solution for the case where no material is deposited ahead of the front and numerical solutions and scaling arguments for more general cases. Through these enslaved phase-separation fronts large domains can be formed that are practically unattainable in homogeneous one-dimensional phase-separation.

cond-mat.soft↗
arXiv2007

Interface Width and Bulk Stability: requirements for the simulation of Deeply Quenched Liquid-Gas Systems

Simulations of liquid-gas systems with extended interfaces are observed to fail to give accurate results for two reasons: the interface can get ``stuck'' on the lattice or a density overshoot develops around the interface. In the first case the bulk densities can take a range of values, dependent on the initial conditions. In the second case inaccurate bulk densities are found. In this communication we derive the minimum interface width required for the accurate simulation of liquid gas systems with a diffuse interface. We demonstrate this criterion for lattice Boltzmann simulations of a van der Waals gas. When combining this criterion with predictions for the bulk stability we can predict the parameter range that leads to stable and accurate simulation results. This allows us to identify parameter ranges leading to high density ratios of over 1000. This is despite the fact that lattice Boltzmann simulations of liquid-gas systems were believed to be restricted to modest density ratios of less than 20.

cond-mat.soft↗
arXiv2007

A Symmetric Free Energy Based Multi-Component Lattice Boltzmann Method

We present a lattice Boltzmann algorithm based on an underlying free energy that allows the simulation of the dynamics of a multicomponent system with an arbitrary number of components. The thermodynamic properties, such as the chemical potential of each component and the pressure of the overall system, are incorporated in the model. We derived a symmetrical convection diffusion equation for each component as well as the Navier Stokes equation and continuity equation for the overall system. The algorithm was verified through simulations of binary and ternary systems. The equilibrium concentrations of components of binary and ternary systems simulated with our algorithm agree well with theoretical expectations.

cond-mat.soft↗
arXiv2006

Simulations of strongly phase-separated liquid-gas systems

Lattice Boltzmann simulations of liquid-gas systems are believed to be restricted to modest density ratios of less than 10. In this article we show that reducing the speed of sound and, just as importantly, the interfacial contributions to the pressure allows lattice Boltzmann simulations to achieve high density ratios of 1000 or more. We also present explicit expressions for the limits of the parameter region in which the method gives accurate results. There are two separate limiting phenomena. The first is the stability of the bulk liquid phase. This consideration is specific to lattice Boltzmann methods. The second is a general argument for the interface discretization that applies to any diffuse interface method.

cond-mat.soft↗
arXiv2006

Thermodynamic consistency of liquid-gas lattice Boltzmann simulations

Lattice Boltzmann simulations have been very successful in simulating liquid-gas and other multi-phase fluid systems. However, the underlying second order analysis of the equation of motion has long been known to be insufficient to consistently derive the fourth order terms that are necessary to represent an extended interface. These same terms are also responsible for thermodynamic consistency, i.e. to obtain a true equilibrium solution with both a constant chemical potential and a constant pressure. In this article we present an equilibrium analysis of non-ideal lattice Boltzmann methods of sufficient order to identify those higher order terms that lead to a lack of thermodynamic consistency. We then introduce a thermodynamically consistent forcing method.

cond-mat.soft↗
arXiv2005

Fluctuating lattice Boltzmann

The lattice Boltzmann algorithm efficiently simulates the Navier Stokes equation of isothermal fluid flow, but ignores thermal fluctuations of the fluid, important in mesoscopic flows. We show how to adapt the algorithm to include noise, satisfying a fluctuation-dissipation theorem (FDT) directly at lattice level: this gives correct fluctuations for mass and momentum densities, and for stresses, at all wavevectors $k$. Unlike previous work, which recovers FDT only as $k\to 0$, our algorithm offers full statistical mechanical consistency in mesoscale simulations of, e.g., fluctuating colloidal hydrodynamics.

cond-mat.stat-mech↗
arXiv2004

Physical and Computational Scaling Issues in Lattice Boltzmann Simulations of Binary Fluid Mixtures

We describe some scaling issues that arise when using lattice Boltzmann methods to simulate binary fluid mixtures -- both in the presence and in the absence of colloidal particles. Two types of scaling problem arise: physical and computational. Physical scaling concerns how to relate simulation parameters to those of the real world. To do this effectively requires careful physics, because (in common with other methods) lattice Boltzmann cannot fully resolve the hierarchy of length, energy and time scales that arise in typical flows of complex fluids. Care is needed in deciding what physics to resolve and what to leave unresolved, particularly when colloidal particles are present in one or both of two fluid phases. This influences steering of simulation parameters such as fluid viscosity and interfacial tension. When the physics is anisotropic (for example, in systems under shear) careful adaptation of the geometry of the simulation box may be needed; an example of this, relating to our study of the effect of colloidal particles on the Rayleigh-Plateau instability of a fluid cylinder, is described. The second and closely related set of scaling issues are computational in nature: how do you scale up simulations to very large lattice sizes? The problem is acute for systems undergoing shear flow. Here one requires a set of blockwise co-moving frames to the fluid, each connected to the next by a Lees-Edwards like boundary condition. These matching planes lead to small numerical errors whose cumulative effects can become severe; strategies for minimising such effects are discussed.

cond-mat.soft↗
arXiv2004

Investigation of Galilean Invariance of multi-phase lattice Boltzmann methods

We examine the Galilean invariance of standard lattice Boltzmann methods for two-phase fluids. We show that the known Galilean invariant term that is cubic in the velocities, and is usually neglected, is the main source of Galilean invariance violations. We show that incorporating a correction term can improve the Galilean invariance of the method by up to an order of magnitude. Surprisingly incorporating this correction term can also noticeably increase the range of stability for multi-phase algorithms. We found that this is true for methods in which the non-ideality is incorporated by a forcing term as well as methods in which non-ideality is directly incorporated in a non-ideal pressure tensor.

cond-mat.soft↗
arXiv2004

Simulating Colloid Hydrodynamics with Lattice Boltzmann

We present a progress report on our work on lattice Boltzmann methods for colloidal suspensions. We focus on the treatment of colloidal particles in binary solvents and on the inclusion of thermal noise. For a benchmark problem of colloids sedimenting and becoming trapped by capillary forces at a horizontal interface between two fluids, we discuss the criteria for parameter selection, and address the inevitable compromise between computational resources and simulation accuracy.

cond-mat.soft↗
arXiv2002

Role of inertia in two-dimensional deformation and breakup of a droplet

We investigate by Lattice Boltzmann methods the effect of inertia on the deformation and break-up of a two-dimensional fluid droplet surrounded by fluid of equal viscosity (in a confined geometry) whose shear rate is increased very slowly. We give evidence that in two dimensions inertia is {\em necessary} for break-up, so that at zero Reynolds number the droplet deforms indefinitely without breaking. We identify two different routes to breakup via two-lobed and three-lobed structures respectively, and give evidence for a sharp transition between these routes as parameters are varied.

cond-mat.soft↗
arXiv2002

Considerations about universality in phase-ordering of binary liquids

In this article we show that the phase-ordering scaling state for binary fluids is not necessarily unique and that local correlations in the initial conditions can be responsible for selecting the scaling state. We describe a new scaling state for symmetric volume fractions that consists of drops of the one component suspended in a matrix of the other. The underlying reason for the existence of the newly observed scaling state is that the main coarsening mechanism of binary fluids which is the deformation of interfaces by flow is not acting, and this leads to a new scaling law. An initial droplet state can be formed by a number of physical phenomena. In a unified description this can be undestood as local correlations in the initial conditions. Local correlations with length $ξ$ are believed to be irrelevant when the typical length scale L of the system is large ($L\gg ξ$). Our result shows that these initial correlations, contrary to current thinking, can be important even at late times.

cond-mat.soft↗
arXiv2000

Entropic lattice Boltzmann methods

We present a general methodology for constructing lattice Boltzmann models of hydrodynamics with certain desired features of statistical physics and kinetic theory. We show how a methodology of linear programming theory, known as Fourier-Motzkin elimination, provides an important tool for visualizing the state space of lattice Boltzmann algorithms that conserve a given set of moments of the distribution function. We show how such models can be endowed with a Lyapunov functional, analogous to Boltzmann's H, resulting in unconditional numerical stability. Using the Chapman-Enskog analysis and numerical simulation, we demonstrate that such entropically stabilized lattice Boltzmann algorithms, while fully explicit and perfectly conservative, may achieve remarkably low values for transport coefficients, such as viscosity. Indeed, the lowest such attainable values are limited only by considerations of accuracy, rather than stability. The method thus holds promise for high-Reynolds number simulations of the Navier-Stokes equations.

cond-mat.soft↗
arXiv1999

Non-uniqueness of late-time scaling states in spinodal decomposition

In this letter we show that the late-time scaling state in spinodal decomposition is not unique. We performed lattice Boltzmann simulations of the phase-ordering of a 50%-50% binary mixture using as initial conditions for the phase-ordering both a symmetric morphology that was created by symmetric spinodal decomposition and a morphology of one phase dispersed in the other, created by viscoelastic spinodal decomposition. We found two different growth laws at late times, although both simulations differ only in the early time dynamics. The new scaling state consists of dispersed droplets. The growth law associated with this scaling state is consistent with a $L\sim t^{1/2}$ scaling law.

cond-mat.soft↗