A Fully Decoupled Linear Second-Order Energy Stable Numerical Scheme for the Moving Contact Line Problem

Efficient energy stable numerical schemes for a phase field moving contact line model

Numerical approximations for a phase-field moving contact line model with variable densities and viscosities

One of the fundamental problems in simulating the motion of sharp interfaces between immiscible fluids is a description of the transition that occurs when the interfaces merge and reconnect. It is well known that classical methods involving sharp interfaces fail to describe this type of phenomena. Following some previous work in this area, we suggest a physically motivated regularization of the Euler equations which allows topological transitions to occur smoothly. In this model, the sharp interface is replaced by a narrow transition layer across which the fluids may mix. The model describes a flow of a binary mixture, and the internal structure of the interface is determined by both diffusion and motion. An advantage of our regularization is that it automatically yields a continuous description of surface tension, which can play an important role in topological transitions. An additional scalar field is introduced to describe the concentration of one of the fluid components and the resulting system of equations couples the Euler (or Navier–Stokes) and the Cahn–Hilliard equations. The model takes into account weak non–locality (dispersion) associated with an internal length scale and localized dissipation due to mixing. The non–locality introduces a dimensional surface energy; dissipation is added to handle the loss of regularity of solutions to the sharp interface equations and to provide a mechanism for topological changes. In particular, we study a non–trivial limit when both components are incompressible, the pressure is kinematic but the velocity field is non–solenoidal (quasi–incompressibility). To demonstrate the effects of quasi–incompressibility, we analyse the linear stage of spinodal decomposition in one dimension. We show that when the densities of the fluids are not perfectly matched, the evolution of the concentration field causes fluid motion even if the fluids are inviscid. In the limit of infinitely thin and well–separated interfacial layers, an appropriately scaled quasi–incompressible Euler–Cahn–Hilliard system converges to the classical sharp interface model. In order to investigate the behaviour of the model outside the range of parameters where the sharp interface approximation is sufficient, we consider a simple example of a change of topology and show that the model permits the transition to occur without an associated singularity.

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An efficient scheme for a phase field model for the moving contact line problem with variable density and viscosity

In this work, an extended discontinuous Galerkin (extended DG/XDG also called unfitted DG) solver for two‐dimensional flow problems exhibiting moving contact lines is presented. The generalized Navier boundary condition is employed within the XDG discretization for the handling of the moving contact lines. The spatial discretization is based on a symmetric interior penalty method and the numerical treatment of the surface tension force is done via the Laplace–Beltrami formulation. The XDG method adapts the approximation space conformal to the position of the interface and allows a sub‐cell accurate representation within the sharp interface formulation. The interface is described as the zero set of a signed‐distance level‐set function and discretized by a standard DG method. No adaption of the level‐set evolution algorithm is needed for the extension to moving contact line problems. The developed solver is validated against typical two‐dimensional contact line driven flow phenomena including droplet simulations on a wall and the two‐phase Couette flow.

In immiscible two-phase flows, the contact line denotes the intersection of the fluid–fluid interface with the solid wall. When one fluid displaces the other, the contact line moves along the wall. A classical problem in continuum hydrodynamics is the incompatibility between the moving contact line and the no-slip boundary condition, as the latter leads to a non-integrable singularity. The recently discovered generalized Navier boundary condition (GNBC) offers an alternative to the no-slip boundary condition which can resolve the moving contact line conundrum. We present a variational derivation of the GNBC through the principle of minimum energy dissipation (entropy production), as formulated by Onsager for small perturbations away from equilibrium. Through numerical implementation of a continuum hydrodynamic model, it is demonstrated that the GNBC can quantitatively reproduce the moving contact line slip velocity profiles obtained from molecular dynamics simulations. In particular, the transition from complete slip at the moving contact line to near-zero slip far away is shown to be governed by a power-law partial-slip regime, extending to mesoscopic length scales. The sharp (fluid–fluid) interface limit of the hydrodynamic model, together with some general implications of slip versus no slip, are discussed.

We consider the numerical approximations for a phase field model consisting of incompressible Navier--Stokes equations with a generalized Navier boundary condition, and the Cahn--Hilliard equation with a dynamic moving contact line boundary condition. A crucial and challenging issue for solving this model numerically is the time marching problem, due to the high order, nonlinear, and coupled properties of the system. We solve this issue by developing two linear, second order accurate, and energy stable schemes based on the projection method for the Navier--Stokes equations, the invariant energy quadratization for the nonlinear gradient terms in the bulk and boundary, and a subtle implicit-explicit treatment for the stress and convective terms. The well-posedness of the semidiscretized system and the unconditional energy stabilities are proved. Various numerical results based on a spectral-Galerkin spatial discretization are presented to verify the accuracy and efficiency of the proposed schemes.

A gradient stable scheme for a phase field model for the moving contact line problem

The dynamics of moving contact lines (MCLs) dominate the behavior of capillary-driven microfluidics, which underlie many applications including microfluidic chips. The capillary displacement dynamics in the quasi-static regime has been extensively studied. However, the behavior of MCLs in the dynamic wetting transition regime remains largely unexplored, and previously established MCL dynamic models may be inadequate. In this study, a novel capillary displacement experiment is introduced, which is achieved by reversely introducing microfluidics with surface tension differences, where the one with low surface tension undergoes the wetting transition. In addition, a generalized Navier boundary condition (GNBC)-based model of capillary displacement dynamics is developed within the framework of diffusive interface theory to investigate the MCL dynamics in the wetting transition regime. The oscillation-relaxation process is experienced for phase interface and microscopic dynamic contact angle θd in the wetting transition regime. Spontaneous filling distance follows dfill*∼t1/2, and reaching quasi-static stage follows dfill*∼t1. The previously neglected mechanism of inertial-viscous competition dominates the early dynamics of such dynamic wetting transition processes. θd∝ucl is observed to be valid solely under conditions where viscosity dominates, but it breaks down in the presence of dominant inertial effects. An escalation in slip substantially diminishes the influence of inertia, with frictional dissipation mediated by slip emerging as the predominant factor in the capillary-driven early dynamics. The origin of uncompensated Young's stress in the GNBC and its correlation with capillary forces is unified, unveiling the underlying physical mechanism governing the dynamics at the MCL. Finally, by decoupling the analysis of viscosity and slip, a new θd-viscous-slip formulation is proposed, in agreement with the model predictions.

Energy stable arbitrary Lagrangian Eulerian finite element scheme for simulating flow dynamics of droplets on non–homogeneous surfaces

Moving contact line problem plays an important role in fluid-fluid interface motion on solid surfaces. The problem can be described by a phase-field model consisting of the coupled Cahn–Hilliard and Navier–Stokes equations with the generalized Navier boundary condition (GNBC). Accurate simulation of the interface and contact line motion requires very fine meshes, and the computation in 3D is even more challenging. Thus, the use of high performance computers and scalable parallel algorithms are indispensable. In this paper, we generalize the GNBC to surfaces with complex geometry and introduce a finite element method on unstructured 3D meshes with a semi-implicit time integration scheme. A highly parallel solution strategy using different solvers for different components of the discretization is presented. More precisely, we apply a restricted additive Schwarz preconditioned GMRES method to solve the systems arising from implicit discretization of the Cahn–Hilliard equation and the velocity equation, and an algebraic multigrid preconditioned CG method to solve the pressure Poisson system. Numerical experiments show that the strategy is efficient and scalable for 3D problems with complex geometry and on a supercomputer with a large number of processors.

The existing discrete variational derivative method is fully implicit and only second-order accurate for gradient flow. In this paper, we propose a framework to construct high-order implicit (original) energy stable schemes and second-order semi-implicit (modified) energy stable schemes. Combined with the Runge–Kutta process, we can build high-order and unconditionally (original) energy stable schemes based on the discrete variational derivative method. The new energy stable schemes are implicit and leads to a large sparse nonlinear algebraic system at each time step, which can be efficiently solved by using an inexact Newton-type solver. To avoid solving nonlinear algebraic systems, we then present a relaxed discrete variational derivative method, which can construct second-order, linear and unconditionally (modified) energy stable schemes. Several numerical simulations are performed to investigate the efficiency, stability and accuracy of the newly proposed schemes.

On imposing dynamic contact-angle boundary conditions for wall-bounded liquid–gas flows

GNBC-based front-tracking method for the three-dimensional simulation of droplet motion on a solid surface