We present a new solver for massively parallel simulations of fully three-dimensional multiphase flows. The solver runs on a variety of computer architectures from laptops to supercomputers and on 65536 threads or more (limited only by the availability to us of more threads). The code is wholly written by the authors in Fortran 2003 and uses a domain decomposition strategy for parallelization with MPI. The fluid interface solver is based on a parallel implementation of the LCRM hybrid Front Tracking/Level Set method designed to handle highly deforming interfaces with complex topology changes. We discuss the implementation of this interface method and its particular suitability to distributed processing where all operations are carried out locally on distributed subdomains. We have developed parallel GMRES and Multigrid iterative solvers suited to the linear systems arising from the implicit solution of the fluid velocities and pressure in the presence of strong density and viscosity discontinuities across fluid phases. Particular attention is drawn to the details and performance of the parallel Multigrid solver. The code includes modules for flow interaction with immersed solid objects, contact line dynamics, species and thermal transport with phase change. Here, however, we focus on the simulation of the canonical problem of drop splash onto a liquid film and report on the parallel performance of the code on varying numbers of threads. The 3D simulations were run on mesh resolutions up to 1024 3 with results at the higher resolutions showing the fine details and features of droplet ejection, crown formation and rim instability observed under similar experimental conditions. Keywords: direct numerical simulation, multiphase flow, parallel or distributed processing, interface dynamics, front tracking communication communication communication communication 32 Fig. 4 distributed sub-domain buffer zone for sub-domain communication extended interface buffer zone for physical B.C.

A formulation for soluble surfactant transport in multiphase flows recently presented by Muradoglu & Tryggvason (JCP 274 (2014) 737–757) is adapted to the context of the Level Contour Reconstruction Method, LCRM, (Shin et al. IJNMF 60 (2009) 753–778) which is a hybrid method that combines the advantages of the Front-tracking and Level Set methods. Particularly close attention is paid to the formulation and numerical implementation of the surface gradients of surfactant concentration and surface tension. Various benchmark tests are performed to demonstrate the accuracy of different elements of the algorithm. To verify surfactant mass conservation, values for surfactant diffusion along the interface are compared with the exact solution for the problem of uniform expansion of a sphere. The numerical implementation of the discontinuous boundary condition for the source term in the bulk concentration is compared with the approximate solution. Surface tension forces are tested for Marangoni drop translation. Our numerical results for drop deformation in simple shear are compared with experiments and results from previous simulations. All benchmarking tests compare well with existing data thus providing confidence that the adapted LCRM formulation for surfactant advection and diffusion is accurate and effective in three-dimensional multiphase flows with a structured mesh. We also demonstrate that this approach applies easily to massively parallel simulations

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Abstract

The three-dimensional two-phase flow dynamics inside a microfluidic device of complex geometry is simulated using a parallel, hybrid front-tracking/level-set solver. The numerical framework employed circumvents numerous meshing issues normally associated with constructing complex geometries within typical computational fluid dynamics packages. The device considered in the present work is constructed via a module that defines solid objects by means of a static distance function. The construction combines primitive objects, such as a cylinder, a plane, and a torus, for instance, using simple geometrical operations. The numerical solutions predicted encompass dripping and jetting, and transitions in flow patterns are observed featuring the formation of drops, ‘pancakes’, plugs, and jets, over a wide range of flow rate ratios. We demonstrate the fact that vortex formation accompanies the development of certain flow patterns, and elucidate its role in their underlying mechanisms. Experimental visualisation with a high-speed imaging are also carried out. The numerical predictions are in excellent agreement with the experimental data. Electronic supplementary material The online version of this article (doi:10.1007/s10404-018-2149-y) contains supplementary material, which is available to authorized users.

We describe a modeling technique for dynamic contact angle between a phase interface and a solid wall using a Generalized Navier Boundary Condition (GNBC) in the context of a Front-Tracking based multiphase method. The contact line motion is determined by the Generalized Navier-Slip boundary condition in order to eliminate the infinite shear stress at the contact line. Applying this slip boundary condition only to the interface movement with various slip ratios shows good agreement with experimental results compared to allowing full fluid slip along the solid surface. The interface slip model performs well on grid convergence tests using both the slip ratio and slip length models. A detailed energy analysis was performed to identify changes in kinetic, surface and potential energies as well as viscous and contact line dissipation with time. A friction coefficient for contact line dissipation was obtained based on the other computed energy terms. Each energy term as well as the friction coefficient were compared for different grid resolutions. The effect of varying the slip ratio as well as the contact angle distribution vs contact line speed was analyzed. The behavior of drop impact on a solid wall with different advancing and receding angles was investigated. Finally, the proposed dynamic contact model was extended to three-dimensions for large-scale parallel calculations. The impact of a droplet on a solid cylinder was simulated to demonstrate the capabilities of the proposing formulation on general solid structures. Widely different contact angles were tested and showed distinctive characteristic behavior clearly.

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