arXiv subjects

Dieter Bothe

Publications and source records attributed to Dieter Bothe.

At least 37 records · Page 2Linked to original sources

arXiv2025

An unstructured geometrical un-split VOF method for viscoelastic two-phase flows

Since viscoelastic two-phase flows arise in various industrial and natural processes, developing accurate and efficient software for their detailed numerical simulation is a highly relevant and challenging research task. We present a geometrical unstructured Volume-of-Fluid (VOF) method for handling two-phase flows with viscoelastic liquid phase, where the latter is modeled via generic rate-type constitutive equations and a one-field description is derived by conditional volume averaging of the local instantaneous bulk equations and interface jump conditions. The method builds on the plicRDF-isoAdvector geometrical VOF solver that is extended and combined with the modular framework DeboRheo for viscoelastic computational fluid dynamics (CFD). A piecewise-linear geometrical interface reconstruction technique on general unstructured meshes is employed for discretizing the viscoelastic stresses across the fluid interface. DeboRheo facilitates a flexible combination of different rheological models with appropriate stabilization methods to address the high Weissenberg number problem.

physics.flu-dyn↗

arXiv2024

Mathematical analysis of the velocity extension level set method

A passively advected sharp interface can be represented as the zero level set of a level set function $f$. The linear transport equation $\partial_tf+v\cdot \nabla f =0$ is the simplest governing equation for such a level set function. While the signed distance of the interface is a geometrically convenient function, e.g., the norm of the gradient is everywhere one, its time evolution is not governed by the linear transport equation. In computational fluid dynamics, several modifications of the simplest case have been proposed in order to compute the signed distance function or to stabilize the norm of the gradient of a level set function on the interface. The velocity extension method is a prominent method used for efficient numerical approximation of the local signed distance function of the interface. Our current paper presents a rigorous mathematical formulation of the velocity extension method and proves that the method provides the local signed distance function of the moving interface. A key is to derive a first-order fully nonlinear PDE that is equivalent to the linear transport equation with extended velocity. Then, wellposedness of the PDE is established in the class of $C^2$-smooth solutions, global in time and local in space, with the local signed distance property, as well as in the class of $C^0$-viscosity solutions, global in time and space. Furthermore, partial regularity of the viscosity solution is proven, thus confirming that, if initial data is smooth near the initial interface, the viscosity solution is smooth in a time-global tubular neighborhood of the interface, coinciding with the local-in-space $C^2$-smooth solution.

math.AP↗

arXiv2024

Scale-bridging within a complex model hierarchy for investigation of a metal-fueled circular energy economy by use of Bayesian model calibration with model error quantification

Metal energy carriers recently gained growing interest in research as a promising storage and transport material for renewable electricity. Within the development of a metal-fueled circular energy economy, research involves a model hierarchy spanning from micro to macro scales, making the transfer of information among different levels of complexity a crucial task for the implementation of the new technology. Chemical reactor networks (CRNs) are models of reduced complexity and a promising approach to accomplish the scale-bridging task. This holds if valid information from CRNs can be obtained on a much denser set of operating conditions than available from experiments and elaborated simulation methods like Computational Fluid Dynamics (CFD). An approach for CRN calibration from recent literature, including model error quantification, is further developed to construct a CRN model of a laboratory reactor for flash ironmaking, using data from the literature. By introducing a meta model of a CRN parameter, a simple CRN model on an extended set of operating conditions has successfully been calibrated. This way, the employed coupled calibration and uncertainty quantification framework has proven promising for the task of scale-bridging in the model hierarchy under investigation.

physics.comp-ph↗

arXiv2024

Persistence exponents via perturbation theory: MA(1)-processes

For the moving average process $X_n=ρξ_{n-1}+ξ_n$, $n\in\mathbb{N}$, where $ρ\in\mathbb{R}$ and $(ξ_i)_{i\ge -1}$ is an i.i.d. sequence of normally distributed random variables, we study the persistence probabilities $\mathbb{P}(X_0\ge 0,\dots, X_N\ge 0)$, for $N\to\infty$. We exploit that the exponential decay rate $λ_ρ$ of that quantity, called the persistence exponent, is given by the leading eigenvalue of a concrete integral operator. This makes it possible to study the problem with purely functional analytic methods. In particular, using methods from perturbation theory, we show that the persistence exponent $λ_ρ$ can be expressed as a power series in $ρ$. Finally, we consider the persistence problem for the Slepian process, transform it into the moving average setup, and show that our perturbation results are applicable.

math.PR↗

arXiv2024

On the problem of optimal fluid transport in capillaries

In this note, we revisit the problem of the pressure-driven transport of a meniscus through a narrow cylindrical capillary or pore. This generic process finds many applications in science and technology. As it is known that Direct Numerical Simulations of moving contact line problems are highly demanding in terms of computational costs, simplified models in the form of ordinary differential equations offer an interesting alternative to perform a mathematical optimization of the flow. Blake and De Coninck studied the pressure-driven transport of a meniscus and identified two major competing mechanisms. While a hydrophilic surface is favorable to enhance the spontaneous imbibition into the pore, the friction is known to be significantly reduced on a hydrophobic surface. Blake and De Coninck showed that, depending on the applied pressure difference, there exists an optimal wettability that minimizes the time required to move the meniscus over a certain distance. We revisit this problem and derive analytical solutions in the limiting cases of negligible inertia and negligible contact line friction.

physics.flu-dyn↗

arXiv2024

Gradient and Hessian regularity in elliptic transmission problems near a point cusp

We consider elliptic transmission problems in several space dimensions near an interface which is $C^{1,1}$ diffeomorphic to an axisymmetric reference-interface with a singular point of cusp type. We establish the regularity of the gradient and of the Hessian in $L^p$ spaces up to the cusp point for local weak solutions. We obtain regularity thresholds which are different according to whether the cusp is inward or outward to the subdomain, and which depend explicitly on the opening of the interface at the cusp. Our results allow for source terms in the bulk and on the interface.

math.AP↗

arXiv2024

An unstructured finite-volume level set / front tracking method for two-phase flows with large density-ratios

We extend the unstructured LEvel set / froNT tracking (LENT) method for handling two-phase flows with strongly different densities (high-density ratios) by providing the theoretical basis for the numerical consistency between the mass and momentum conservation in the collocated Finite Volume discretization of the single-field two-phase Navier-Stokes equations. Our analysis provides the theoretical basis for the mass conservation equation introduced by Ghods and Herrmann [3] and used in [4, 5, 6, 7, 8]. We use a mass flux that is consistent with mass conservation in the implicit Finite Volume discretization of the two-phase momentum convection term, and solve the single-field Navier-Stokes equations with our SAAMPLE segregated solution algorithm [2]. The proposed $ρ$LENT method recovers exact numerical stability for the two-phase momentum advection of a spherical droplet with density ratios ranging in $[1, 10^4]$. Numerical stability is demonstrated for in terms of the relative $L_\infty$ velocity error norm, for density-ratios in the range of $[1, 10^4]$, dynamic viscosity-ratios in the range of $[1, 10^4]$ and very strong surface tension forces, for challenging mercury/air and water/air fluid pairings. In addition, the solver performs well in cases characterized by strong interaction between two phases, i.e., oscillating droplets and rising bubbles. The proposed $ρ$LENT method is applicable to any other two-phase flow simulation method that discretizes the single-field two-phase Navier-Stokes Equations using the collocated unstructured Finite Volume Method but does not solve an advection equation for the phase indicator using a flux-based approach, by adding the proposed geometrical approximation of the mass flux and the auxiliary mass conservation equation to the solution algorithm.

physics.flu-dyn↗

arXiv2023

An analytical study of capillary rise dynamics: Critical conditions and hidden oscillations

The rise of a liquid column inside a thin capillary against the action of gravity is a prototypical example of a dynamic wetting process and plays an important role for applications but also for fundamental research in the area of multiphase fluid dynamics. Since the pioneering work by Lucas and Washburn, many research articles have been published which aim at a simplified description of the capillary rise dynamics using complexity-reduced models formulated as ordinary differential equations. Despite the fact that these models are based on profound simplifications, they may still be able to describe the essential physical mechanisms and their interplay. In this study, we focus on the phenomenon of oscillations of the liquid column. The latter has been observed experimentally for liquids with sufficiently small viscosity leading to comparably small viscous dissipation. Back in 1999, Quere et al. formulated a condition for the appearance of rise height oscillations for an ODE model introduced by Bosanquet in 1923. This model has later been extended to include further dissipative mechanisms. In this work, we extend the mathematical analysis to a larger class of models including additional channels of dissipation. We show that Quere's critical condition is generalized to $Ω+ β< 2$, where $Ω$ was introduced earlier and $β$ is an additional non-dimensional parameter describing, e.g., contact line friction. A quantitative prediction of the oscillation dynamics is achieved from a linearization of the governing equations. We apply the theory to experimental data by Quere et al. and, in particular, reveal the oscillatory behavior of dynamics for the nearly critically damped case of ethanol.

physics.flu-dyn↗

arXiv2023

Bridging the scales in capillary rise dynamics with complexity-reduced models

Dynamic wetting processes inherently manifest as multiscale phenomena. While the capillary length is typically millimeters, solid-liquid interactions occur at the nanometer scale. These short-range interactions significantly affect macroscopic behaviors like droplet spreading and menisci dynamics. The Navier slip length, determined by liquid viscosity and solid-liquid friction, plays a crucial role in three-phase contact line dynamics. It varies from nanometers (hydrophilic) to microns (hydrophobic). However, resolving it in computational fluid dynamics (CFD) simulations can be computationally expensive. In this study, we propose simplified ordinary differential equation (ODE) models, leveraging local dissipation rates from Stokes flow solutions near the moving contact line, to bridge the nanoscale physics and macroscopic dynamics. Our ODE model accurately predicts the impact of the slip parameter in fully resolved CFD simulations, focusing on capillary rise dynamics.

physics.flu-dyn↗

arXiv2023

Imaging and simulation-based analysis of evaporation flows over wetting edges

We monitor the evaporation of a volatile liquid (ethanol) from an inkjet-printed liquid film, consisting of a mixture of ethanol and ethylene glycol. Interferometric video imaging technology is used for recording 2D vapor concentration profiles over the evaporating film. The vapor flow is reconstructed using numerical simulations. In this way, we reconstruct the complete flow velocity profile, and distinguish diffusive and convective gas transport flows, with quantitative tracking of the transport balances. The convective flows are driven by the buoyancy of the solvent vapor in the ambient air. In particular, we reconstruct the evaporation process from the interface of the two-component liquid. We monitor the evaporation flows, implement Raoult's and Henry's laws of vapor pressure reduction, as well as evaporation resistivity. We observe the edge-enhancement of evaporation flows at the wetting rims of the liquid film, and decompose the vapor flows in the diffusive and the convective contribution. We demonstrate how Langmuir's evaporation resistivity can be identified using vapor pressure profiles in the gas phase data and mass transfer balances.

physics.flu-dyn↗

arXiv2023

Analytical and numerical validation of a plate-plate tribometer for measuring wall slip

We model the Darmstadt Slip Length Tribometer (DSLT), specially designed to measure viscosity and slip length simultaneously for lubrication gaps in the range of approximately 10 micrometres at relevant temperatures and surface roughness. We investigate the inlet effect of the flow on the results by varying the inner radius of the fluid inlet pipe. The outcomes of numerical simulations suggest that variations in the diameter of this inner radius have minimal impact on the results. Specifically, any alterations in the velocity profile near the inlet, brought about by changes in the diameter, quickly revert to the profile predicted by the analytical model. The main conclusion drawn from this study is the validation of the Navier-Slip boundary condition as an effective model for technical surface roughness in CFD simulations and the negligible influence of the inlet effect on the fluid dynamics between the tribometer's plates.

physics.flu-dyn↗

arXiv2023

Mathematical analysis of modified level-set equations

The linear transport equation allows to advect level-set functions to represent moving sharp interfaces in multiphase flows as zero level-sets. A recent development in computational fluid dynamics is to modify the linear transport equation by introducing a nonlinear term to preserve certain geometrical features of the level-set function, where the zero level-set must stay invariant under the modification. The present work establishes mathematical justification for a specific class of modified level-set equations on a bounded domain, generated by a given smooth velocity field in the framework of the initial/boundary value problem of Hamilton-Jacobi equations. The first main result is the existence of smooth solutions defined in a time-global tubular neighborhood of the zero level-set, where an infinite iteration of the method of characteristics within a fixed small time interval is demonstrated; the smooth solution is shown to possess the desired geometrical feature. The second main result is the existence of time-global viscosity solutions defined in the whole domain, where standard Perron's method and the comparison principle are exploited. In the first and second main results, the zero level-set is shown to be identical with the original one. The third main result is that the viscosity solution coincides with the local-in-space smooth solution in a time-global tubular neighborhood of the zero level-set, where a new aspect of localized doubling the number of variables is utilized.

math.AP↗

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

Efficient sequential PLIC interface positioning for enhanced performance of the three-phase VoF Method

This paper presents an efficient algorithm for the sequential positioning, also called nested dissection, of two planes in an arbitrary polyhedron. Two planar interfaces are positioned such that the first plane truncates a given volume from this arbitrary polyhedron and the next plane truncates a second given volume from the residual polyhedron. This is a relevant task in the numerical simulation of three-phase flows when resorting to the geometric Volume-of-Fluid (VoF) method with a Piecewise Linear Interface Calculation (PLIC). An efficient algorithm for this task significantly speeds up the three-phase PLIC algorithm. The present study describes a method based on a recursive application of the Gaussian divergence theorem, where the fact that the truncated polyhedron shares multiple faces with the original polyhedron can be exploited to reduce the computational effort. A careful choice of the coordinate system origin for the volume computation allows for successive positioning of two planes without reestablishing polyhedron connectivity. Combined with a highly efficient root finding, this results in a significant performance gain in the reconstruction of the three-phase interface configurations. The performance of the new method is assessed in a series of carefully designed numerical experiments. Compared to a conventional decomposition-based approach, the number of iterations and, thus, of the required truncations was reduced by up to an order of magnitude. The PLIC positioning run-time was reduced by about 90% in our reference implementation. Integrated into the multi-phase flow solver Free Surface 3D (FS3D), an overall performance gain of about 20% was achieved. Allowing for simple integration into existing numerical schemes, the proposed algorithm is self-contained (example Fortran Module see https://doi.org/10.18419/darus-2488), requiring no external decomposition libraries.

math.NA↗

arXiv2023

Enhanced Modeling of Back-Mixing in Chemical Reactor Networks

Chemical reactor networks (CRNs) enable simulations of combustion reactors with detailed chemical kinetics and strongly simplified flow structure. In this paper, the implementation of a reactor component with less idealized flow structure, namely axial dispersion, to the CRN software NetSMOKE is presented. It is shown exemplarily that different flow models can lead to strongly different results in species prediction. However, computational efficiency remains an issue for this reactor class, which is still to be solved.

physics.flu-dyn↗

arXiv2023

Analysis of bulk-surface reaction-sorption-diffusion systems with Langmuir type adsorption

We consider a class of bulk-surface reaction-adsorption-diffusion systems, i.e. a coupled systems of reaction-diffusion systems on a bounded domain $Ω\subseteq \mathbb{R}^d$ (bulk phase) and its boundary $Σ= \partial Ω$ (surface phase), which are coupled via nonlinear normal flux boundary conditions. In particular, this class includes a heterogeneous catalysis model with Fickian bulk and surface diffusion and nonlinear adsorption of Langmuir type, i.e. transport from the bulk phase to the active surface, and desorption. For this model, we obtain well-posedness, positivity and global-in-time existence of solutions under some realistic structural conditions on the chemical reaction network and the sorption model.

math.AP↗

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

A Research Software Engineering Workflow for Computational Science and Engineering

cs.SE↗