arXiv subjects

Tomislav Marić

Publications and source records attributed to Tomislav Marić.

7 recordsLinked to original sources

arXiv2025

A two-sided subgrid-scale model for mass transfer across fluid interfaces

The occurrence of extremely thin concentration boundary layers at fluid interfaces for high local Péclet numbers is a severe obstacle for efficient and accurate numerical simulation of mass transfer processes in two-phase fluid systems. Especially challenging are liquid-liquid systems, in which thin concentration boundary layers can appear on both sides of the fluid interface under convection-dominated conditions. In those cases, the one-sided species concentrations at the interface are a-priori not even known approximately, but are determined by a conjugate mass transfer problem governed by interfacial jump conditions. To the best of the authors' knowledge we for the first time introduce a two-sided Subgrid-Scale (SGS) boundary layer model for conjugate mass transfer at fluid interfaces. It accurately computes the local mass transfer rates on moderate or coarse mesh resolutions even when very high concentration gradients in interface vicinity occur. For this purpose, SGS modeling is applied on both sides of an interface transmissive to passive scalars, such as the interface in a two-phase fluid system, enabling the accurate capture of conjugate mass transfer across thin boundary layer on one or on both sides of the interface. We implement our approach in the unstructured Finite-Volume Arbitrary Lagrangian / Eulerian Interface-Tracking (ALE-IT) OpenFOAM module twoPhaseInterTrackFoam. We have made twoPhaseInterTrackFoam publicly available in our previous publication (Schwarzmeier et al., 2025).

physics.comp-ph↗

arXiv2025

twoPhaseInterTrackFoam: an OpenFOAM module for Arbitrary Lagrangian/Eulerian Interface Tracking with Surfactants and Subgrid-Scale Modeling

We provide an implementation of the unstructured Finite-Volume Arbitrary Lagrangian / Eulerian (ALE) Interface-Tracking method for simulating incompressible, immiscible two-phase flows as an OpenFOAM module. In addition to interface-tracking capabilities that include tracking of two fluid phases, an implementation of a Subgrid-Scale (SGS) modeling framework for increased accuracy when simulating sharp boundary layers is enclosed. The SGS modeling framework simplifies embedding subgrid-scale profiles into the unstructured Finite Volume discretization. Our design of the SGS model library significantly simplifies adding new SGS models and applying SGS modeling to Partial Differential Equations (PDEs) in OpenFOAM.

physics.comp-ph↗

arXiv2023

A pragmatic workflow for research software engineering in computational science

University research groups in Computational Science and Engineering (CSE) generally lack dedicated funding and personnel for Research Software Engineering (RSE), which, combined with the pressure to maximize the number of scientific publications, shifts the focus away from sustainable research software development and reproducible results. The neglect of RSE in CSE at University research groups negatively impacts the scientific output: research data - including research software - related to a CSE publication cannot be found, reproduced, or re-used, different ideas are not combined easily into new ideas, and published methods must very often be re-implemented to be investigated further. This slows down CSE research significantly, resulting in considerable losses in time and, consequentially, public funding. We propose a RSE workflow for Computational Science and Engineering (CSE) that addresses these challenges, that improves the quality of research output in CSE. Our workflow applies established software engineering practices adapted for CSE: software testing, result visualization, and periodical cross-linking of software with reports/publications and data, timed by milestones in the scientific publication process. The workflow introduces minimal work overhead, crucial for university research groups, and delivers modular and tested software linked to publications whose results can easily be reproduced. We define research software quality from a perspective of a pragmatic researcher: the ability to quickly find the publication, data, and software related to a published research idea, quickly reproduce results, understand or re-use a CSE method, and finally extend the method with new research ideas.

cs.SE↗

arXiv2023

A locally signed-distance preserving level set method (SDPLS) for moving interfaces

It is well-known that the standard level set advection equation does not preserve the signed distance property, which is a desirable property for the level set function representing a moving interface. Therefore, reinitialization or redistancing methods are frequently applied to restore the signed distance property while keeping the zero-contour fixed. As an alternative approach to these methods, we introduce a modified level set advection equation that intrinsically preserves the norm of the gradient at the interface, i.e. the local signed distance property. Mathematically, this is achieved by introducing a carefully chosen source term being proportional to the local rate of interfacial area generation. The introduction of the source term turns the problem into a non-linear one. However, we show that by discretizing the source term explicitly in time, it is sufficient to solve a linear equation in each time step. Notably, without further adjustment, the method works in the case of a moving contact line. This is a major advantage since redistancing is known to be an issue when contact lines are involved. We provide a first implementation of the method in a simple first-order upwind scheme in both two and three spatial dimensions.

math.NA↗

arXiv2022

Computing volume fractions and signed distances from triangulated surfaces immersed in unstructured meshes

Available algorithms for the initialization of volume fractions typically utilize exact functions to model fluid interfaces, or they rely on computationally costly intersections between volume meshes. Here, a new algorithm is proposed that computes signed distances and volume fractions on unstructured meshes from arbitrarily shaped surfaces, e.g. originating from experimental data. The proposed algorithm calculates signed distances geometrically near the fluid interface, approximated as a triangle surface mesh, and propagates the inside/outside information by an approximate solution of a Laplace equation. Volume fractions are computed based on signed distances, using either geometrical intersections between cells of the unstructured mesh and a sub-set of the surface mesh that represents the interface, or using a polynomial approximation and adaptive mesh refinement. Although primarily developed for multiphase flow simulations, the proposed algorithm can potentially be used for other problems that require a phase-indicator: inside/outside information with respect to an arbitrarily shaped surface on arbitrarily unstructured meshes.

physics.comp-ph↗

arXiv2021

Breakup Dynamics of Capillary Bridges on Hydrophobic Stripes

The breakup dynamics of a capillary bridge on a hydrophobic stripe between two hydrophilic stripes is studied experimentally and numerically using direct numerical simulations. The capillary bridge is formed from an evaporating water droplet wetting three neighboring stripes of a chemically patterned surface. By considering the breakup process in a phase space representation, the breakup dynamics can be evaluated without the uncertainty in determining the precise breakup time. The simulations are based on the Volume-of-Fluid (VOF) method implemented in Free Surface 3D (FS3D). In order to construct physically realistic initial data for the VOF simulation, Surface Evolver is employed to calculate an initial configuration consistent with experiments. Numerical instabilities at the contact line are reduced by a novel discretization of the Navier-slip boundary condition on staggered grids. The breakup of the capillary bridge cannot be characterized by a unique scaling relationship. Instead, at different stages of the breakup process different scaling exponents apply, and the structure of the bridge undergoes a qualitative change. In the final stage of breakup, the capillary bridge forms a liquid thread that breaks up consistently with the Rayleigh-Plateau instability.

physics.flu-dyn↗

arXiv2020

Contact line advection using the geometrical Volume-of-Fluid method

We consider the interface advection problem by a prescribed velocity field in the special case when the interface intersects the domain boundary, i.e. in the presence of a contact line. This problem emerges from the discretization of continuum models for dynamic wetting. The kinematic evolution equation for the dynamic contact angle (Fricke et al., 2019) expresses the fundamental relationship between the rate of change of the contact angle and the structure of the transporting velocity field. The goal of the present work is to develop an interface advection method that is consistent with the fundamental kinematics and transports the contact angle correctly with respect to a prescribed velocity field. In order to verify the advection method, the kinematic evolution equation is solved numerically and analytically (for special cases). We employ the geometrical Volume-of-Fluid (VOF) method on a structured Cartesian grid to solve the hyperbolic transport equation for the interface in two spatial dimensions. We introduce generalizations of the Youngs and ELVIRA methods to reconstruct the interface close to the domain boundary. Both methods deliver first-order convergent results for the motion of the contact line. However, the Boundary Youngs method shows strong oscillations in the numerical contact angle that do not converge with mesh refinement. In contrast to that, the Boundary ELVIRA method provides linear convergence of the numerical contact angle transport.

math.NA↗