Diffuse Interface Model Research Articles

A Diffuse Interface Model for Cavitation, Taking Into Account Capillary Forces

ABSTRACTWe consider the moving least squares method to solve compressible two‐phase water‐water vapor flow with surface tension. A diffuse interface model based on the Navier–Stokes and Korteweg equations is coupled with a suitable system of state equations that allows for a more realistic estimation of the pressure jump across the liquid–vapor interface as a function of temperature. We propose a simple formulation for computing the capillarity coefficient based on the surface tension and the thickness of the diffuse interface. A convergence analysis using pressure jump in the test case of static bubble is conducted to verify our solver. We present several numerical test cases that illustrate the ability of our model to reproduce qualitatively and quantitatively the effects of surface tension on cavitation bubbles in general situations.

Collapse of microbubbles over an elastoplastic wall

The collapse of a vapour bubble over a material surface has been widely studied over the past few decades, but a comprehensive and quantitative analysis of the cavitation dynamics and its effects on solid materials at the mesoscale (nanometre up to micrometre), which would be of particular interest in applications exploiting cavitation power, is still lacking. In this work, we adopt a diffuse interface model to describe the microbubble dynamics, and a dynamic plasticity model for the solid. The former is particularly suited to studying the rich phenomenology characterising bubble collapse at the mesoscale, which comprises transitions to supercritical conditions, emission and propagation of shock waves, generation of liquid microjets and topological transitions, whereas the latter is used to characterise the permanent plastic deformation caused by the bubble collapse, and has been augmented to consider inertial effects, to assess whether or not an interaction between elastic and plastic waves may influence the resulting deformation. Results concerning the collapse of a microbubble at different liquid overpressures and initial standoff ratios are discussed, and the elastoplastic wave propagation in the solid, together with plastic deformation, is studied for different cases, depending on elastic and plastic material parameters.

A consistent diffuse-interface model for two-phase flow problems with rapid evaporation

We present accurate and mathematically consistent formulations of a diffuse-interface model for two-phase flow problems involving rapid evaporation. The model addresses challenges including discontinuities in the density field by several orders of magnitude, leading to high velocity and pressure jumps across the liquid–vapor interface, along with dynamically changing interface topologies. To this end, we integrate an incompressible Navier–Stokes solver combined with a conservative level-set formulation and a regularized, i.e., diffuse, representation of discontinuities into a matrix-free adaptive finite element framework. The achievements are three-fold: First, we propose mathematically consistent definitions for the level-set transport velocity in the diffuse interface region by extrapolating the velocity from the liquid or gas phase. They exhibit superior prediction accuracy for the evaporated mass and the resulting interface dynamics compared to a local velocity evaluation, especially for strongly curved interfaces.Second, we show that accurate prediction of the evaporation-induced pressure jump requires a consistent, namely a reciprocal, density interpolation across the interface, which satisfies local mass conservation. Third, the combination of diffuse interface models for evaporation with standard Stokes-type constitutive relations for viscous flows leads to significant pressure artifacts in the diffuse interface region. To mitigate these, we propose to introduce a correction term for such constitutive model types. Through selected analytical and numerical examples, the aforementioned properties are validated. The presented model promises new insights in simulation-based prediction of melt–vapor interactions in thermal multiphase flows such as in laser-based powder bed fusion of metals.

Drop impact onto wettability-patterned solid surfaces: A phase field approach

Drop impact onto wettability-patterned surfaces is of great significance in industries. Self-propulsion, self-splitting, and directional rebounding can be realized when drops impact on such surfaces. This paper established a diffuse interface/phase field model to delve into drop impact onto wettability-patterned surfaces, with two typical surfaces considered, one having a step change in the contact angle and the other having a smooth change in it. The diffuse interface model used the phase field to track the liquid–gas interface, was discretized on a half-staggered grid, and was run in a parallel manner. The model was validated first against an impact onto a uniform surface and then against an impact onto a hydrophilic surface coated with a superhydrophobic strip. A mesh independence study was conducted for the phase field modeling. Grid independence was achieved while the phase field mobility was kept fixed in meshes of varied resolutions. The major findings are as follows. The spreading of a spherical drop on gradient wettability surfaces resembles that of an ellipsoidal drop on a uniform surface, and axis-switching was observed. On the other hand, directional rebounding on multi-region wettability surfaces is enhanced with increased wettability contrast.

JAX-Fluids 2.0: Towards HPC for differentiable CFD of compressible two-phase flows

In our effort to facilitate machine learning-assisted computational fluid dynamics (CFD), we introduce the second iteration of JAX-Fluids. JAX-Fluids is a Python-based fully-differentiable CFD solver designed for compressible single- and two-phase flows. In this work, the first version is extended to incorporate high-performance computing (HPC) capabilities. We introduce a parallelization strategy utilizing JAX primitive operations that scales efficiently on GPU (up to 512 NVIDIA A100 graphics cards) and TPU (up to 1024 TPU v3 cores) HPC systems. We further demonstrate stable parallel computation of automatic differentiation gradients across extended integration trajectories. The new code version offers enhanced two-phase flow modeling capabilities. In particular, a five-equation diffuse-interface model is incorporated which complements the level-set sharp-interface model. Additional algorithmic improvements include positivity-preserving limiters for increased robustness, support for stretched Cartesian meshes, refactored I/O handling, comprehensive post-processing routines, and an updated list of state-of-the-art high-order numerical discretization schemes. We verify newly added numerical models by showcasing simulation results for single- and two-phase flows, including turbulent boundary layer and channel flows, air-helium shock bubble interactions, and air-water shock drop interactions.

Two-phase flows through porous media described by a Cahn–Hilliard–Brinkman model with dynamic boundary conditions

We investigate a new diffuse-interface model that describes creeping two-phase flows (i.e., flows exhibiting a low Reynolds number), especially flows that permeate a porous medium. The system of equations consists of a Brinkman equation for the volume averaged velocity field and a convective Cahn–Hilliard equation with dynamic boundary conditions for the phase field, which describes the location of the two fluids within the domain. The dynamic boundary conditions are incorporated to model the interaction of the fluids with the wall of the container more precisely. In particular, they allow for a dynamic evolution of the contact angle between the interface separating the fluids and the boundary, and for a convection-induced motion of the corresponding contact line. For our model, we first prove the existence of global-in-time weak solutions in the case where regular potentials are used in the Cahn–Hilliard subsystem. In this case, we can further show the uniqueness of the weak solution under suitable additional assumptions. We further prove the existence of weak solutions in the case of singular potentials. Therefore, we regularize such singular potentials by a Moreau–Yosida approximation, such that the results for regular potentials can be applied, and eventually pass to the limit in this approximation scheme.

Numerical Analysis for a Non-isothermal Incompressible Navier–Stokes–Allen–Cahn System

In this paper we develop the numerical analysis for a non-isothermal diffuse-interface model, in dimension N=2,3,\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$N=2, 3,$$\\end{document} that describes the movement of a mixture of two incompressible viscous fluids. This model consists of modified Navier–Stokes equations coupled with a phase-field equation given by a convective Allen–Cahn equation, and energy transport equation for the temperature; which admits a dissipative energy inequality. We propose an energy stable numerical scheme based on the Finite Element Method, and we analyze optimal weak and strong error estimates, as well as convergence towards regular solutions. In order to construct the numerical scheme, we introduce two extra variables (given by the gradient of the temperature and the variation of the energy with respect to the phase-field function) which allows us to control the strong regularity required by the model, which is one of the main difficulties appearing from the numerical point of view. Having the equivalent model, we consider a fully discrete Finite Element approximation which is well-posed, energy stable and satisfies a set of uniform estimates which allow to analyze the convergence of the scheme. Finally, we present some numerical simulations to validate numerically our theoretical results.

Existence of weak solutions to a Cahn–Hilliard–Biot system

We prove existence of weak solutions to a diffuse interface model describing the flow of a fluid through a deformable porous medium consisting of two phases. The system non-linearly couples Biot’s equations for poroelasticity, including phase-field dependent material properties, with the Cahn–Hilliard equation to model the evolution of the solid, and is further augmented by a visco-elastic regularization of Kelvin–Voigt type. To obtain this result, we approximate the problem in two steps, where first a semi-Galerkin ansatz is employed to show existence of weak solutions to regularized systems, for which later on compactness arguments allow limit passage. Notably, we also establish a maximal regularity theory for linear visco-elastic problems.

Error analysis of fully decoupled SAV scheme for two phase magnetohydrodynamic diffuse interface model

Error analysis of fully decoupled SAV scheme for two phase magnetohydrodynamic diffuse interface model

Low Mach number limit of a diffuse interface model for two‐phase flows of compressible viscous fluids

AbstractIn this paper, we consider a singular limit problem for a diffuse interface model for two immiscible compressible viscous fluids. Via a relative entropy method, we obtain a convergence result for the low Mach number limit to a corresponding system for incompressible fluids in the case of well‐prepared initial data and same densities in the limit.

Mixture theory for diffuse interface models of two-phase flows

Mixture theory for diffuse interface models of two-phase flows

Structure-preserving and efficient numerical simulation for diffuse interface model of two-phase magnetohydrodynamics

In this paper, we propose a novel diffuse interface model of two-phase magnetohydrodynamics (MHD) based on a magnetic vector potential formulation in the three-dimensional case. This model ensures an exact divergence-free approximation of the magnetic field by introducing a magnetic vector potential A and defining the magnetic field by B=curlA. The resulting framework constitutes a highly coupled, nonlinear saddle point system consisting of the Cahn–Hilliard system and MHD potential system. To solve the model efficiently, we present two fully decoupled, first-order, linear, and unconditionally energy-stable schemes and strictly prove their well-posedness and energy stability. Finally, we present several numerical examples that demonstrate the stability and effectiveness of our schemes.

Error analysis of a fully discrete projection method for Cahn–Hilliard Inductionless MHD problems

This article investigates the fully discrete finite element approximation and error analysis for a diffuse interface model of the two-phase incompressible inductionless magnetohydrodynamics problem. This model consists of Cahn–Hilliard equations, Navier–Stokes equations and Poisson equations, which are nonlinearly coupled through convection, stresses, and Lorentz forces. To address this highly nonlinear and multi-physics system, we propose a fully discrete energy stable scheme with the finite element projection method for spatial discretization, in which the velocity and pressure are decoupled. The temporal discretization is a combination of the first-order Euler semi-implicit scheme and a convex splitting energy strategy. We show that the proposed scheme is mass-conservative, charge-conservative and unconditional energy stable. The error estimates for the phase variable, chemical potential, velocity, pressure, current density and electric potential are rigorously established. Finally, several three-dimensional numerical experiments are performed to illustrate the features of the proposed numerical method and verify the theoretical conclusions.

Vapor bubble nucleation in flowing liquids

In this work, a stochastic diffuse interface model coupled with the Navier–Stokes equations has been exploited to numerically investigate vapor nucleation in a non-equilibrium system (a flowing liquid). Both homogeneous and heterogeneous nucleation is addressed and the influence of macroscopic flows on nucleation observables is discussed. The extended mesoscale simulations allow us to infer the spatial distributions of the nucleated bubbles via Voronoi tessellation analysis and to represent the nucleation phenomenon as a stochastic Random Poisson Point process. The findings open the way to design multiscale fluid simulations experiencing phase change.

Thermodynamically consistent diffuse-interface mixture models of incompressible multicomponent fluids

The prototypical diffuse-interface model for incompressible fluid mixtures is the Navier–Stokes Cahn–Hilliard (Allen–Cahn) model. Despite its foundation in continuum mixture theory, it is not fully compatible with this theory due to the diffusive flux approximation. This paper introduces a class of thermodynamically consistent diffuse-interface incompressible fluid mixture models that is fully compatible with the continuum theory of mixtures. The proposed models can be formulated in either constituent or mixture quantities, enabling a direct comparison with the Navier–Stokes Cahn–Hilliard (Allen–Cahn) model with non-matching densities. This comparison reveals the key modelling simplifications employed in the latter.

Numerical modelling of large elasto-plastic multi-material deformations on Eulerian grids

Abstract The paper deals with an Eulerian model for heterogeneous multiphase (multi-material) elasto-plastic media based on the diffuse interface method in the one-dimensional uniaxial strain approximation. In this approximation, an equilibrium hypoelastic Wilkins bi-material model is derived. This is carried out on the basis of an analogy between the elasto-plastic Wilkins and hydrodynamic Euler models. For the obtained model, a Godunov-type numerical method is developed based on the approximate Riemann solver HLLC. The results of the proposed Eulerian diffuse interface model are compared with reference solutions on moving grids with explicit tracking interfaces. It is shown that the present diffuse interface numerical model describes with good accuracy strong shock-wave processes in heterogeneous multiphase elasto-plastic media.

Unconstrained ETD Methods on the Diffuse-Interface Model with the Peng-Robinson Equation of State

Unconstrained ETD Methods on the Diffuse-Interface Model with the Peng-Robinson Equation of State

The divergence-free velocity formulation of the consistent Navier-Stokes Cahn-Hilliard model with non-matching densities, divergence-conforming discretization, and benchmarks

The prototypical diffuse-interface model that describes multi-component flows is the Navier-Stokes Cahn-Hilliard model (NSCH). Over the last decades many NSCH models have appeared that claim to describe the same physical phenomena, yet are distinct from one another. In a recent article [M.F.P. ten Eikelder, K.G. van der Zee, I. Akkerman, and D. Schillinger, Math. Mod. Meth. Appl. S. 33, pp 175-221, 2023.] we have established a unified framework of virtually all NSCH models. The framework reveals that there is only a single consistent NSCH model that naturally emanates from the underlying mixture theory. In the current article we present, verify and validate this novel consistent NSCH model by means of numerical simulation. To this purpose we discretize a divergence-free velocity formulation of the consistent NSCH model using divergence-conforming isogeometric spaces. We compare computations of our consistent model to results of existing models from literature. The predictive capability of the numerical methodology is demonstrated via three-dimensional computations of a rising bubble and the contraction of a liquid filament that compare well with experimental data.

Diffuse-interface approximation and weak–strong uniqueness of anisotropic mean curvature flow

Abstract The purpose of this paper is to derive anisotropic mean curvature flow as the limit of the anisotropic Allen–Cahn equation. We rely on distributional solution concepts for both the diffuse and sharp interface models and prove convergence using relative entropy methods, which have recently proven to be a powerful tool in interface evolution problems. With the same relative entropy, we prove a weak–strong uniqueness result, which relies on the construction of gradient flow calibrations for our anisotropic energy functionals.

A unified two-scale gas–liquid multi-fluid model with capillarity and interface regularization through a mass transfer between scales

In this contribution, we derive a gas–liquid two-scale multi-fluid model with capillarity effects to enable a novel interface regularization approach for multi-fluid models. As this unified modelling is capable of switching from the interface representation of a separated to a disperse regime it lays a new way of modelling regime transitions as it occurs in atomization processes. Above a preset length threshold at large scale, a multi-fluid diffuse interface model resolves the dynamics of the interface while, at small-scale, a set of geometric variables is used to characterize the interface geometry. These variables result from a reduced-order modelling of the small-scale kinetic equation that describes a collection of liquid inclusions. The flow model can be viewed as a two-phase two-scale mixture, and the equations of motion are obtained thanks to the Hamilton’s Stationary Action Principle, which requires to specify the kinetic and potential energies at play. We particularly focus on modelling the effects of capillarity on the mixture’s energy by including dependencies on additional variables accounting for the interface’s geometry at both scales. The regularization of the large-scale interface is then introduced as a local and dissipative process. The local curvature is limited via a relaxation towards a modified Laplace equilibrium such that an inter-scale mass transfer is triggered when the mean curvature is too high. We propose an original numerical method and assess the properties and potential of the modelling strategy on the relevant test-case of a two-dimensional liquid column in a compressible gas flow.