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Bernd Flemisch

Publications and source records attributed to Bernd Flemisch.

At least 19 recordsLinked to original sources

Augmenting a pure and hybrid vertical equilibrium scheme via data-driven surrogate modelling

Vertical equilibrium (VE) models have been introduced as computationally efficient alternatives to traditional mass and momentum balance equations for fluid flow in porous media. Since VE models are only accurate in regions where phase equilibrium holds and traditional simulations are computationally demanding, hybrid methods have been proposed to combine the accuracy of the full-dimensional approach with the efficiency of VE model. However, coupling both models introduces computational overhead that can make hybrid simulations slower than fully traditional ones. To address the computational overhead introduced by coupling interfaces in hybrid models, we utilize data-driven surrogates to accelerate the overall scheme. To this end, we predict the gas plume distance and coarse-level mobilities in the VE model, and also enhance the computation of the coupling scheme via surrogates. We focus on surrogate models with short inference times to minimize computational overhead during frequent function calls. The proposed approach preserves key physical properties, such as mass conservation, despite the deployment of data-driven models, while substantially reducing simulation runtimes. Overall, combining data-driven methods with the hybrid VE scheme yields an enhanced model that outperforms traditional simulations in speed while introducing only negligible errors.

physics.flu-dyn

Benchmarking CO$_2$ Storage Simulations: Results from the 11th Society of Petroleum Engineers Comparative Solution Project

The 11th Society of Petroleum Engineers Comparative Solution Project (shortened SPE11 herein) benchmarked simulation tools for geological carbon dioxide (CO$_2$) storage. A total of 45 groups from leading research institutions and industry across the globe signed up to participate, with 18 ultimately contributing valid results that were included in the comparative study reported here. This paper summarizes the SPE11. A comprehensive introduction and qualitative discussion of the submitted data are provided, together with an overview of online resources for accessing the full depth of data. A global metric for analyzing the relative distance between submissions is proposed and used to conduct a quantitative analysis of the submissions. This analysis attempts to statistically resolve the key aspects influencing the variability between submissions. The study shows that the major qualitative variation between the submitted results is related to thermal effects, dissolution-driven convective mixing, and resolution of facies discontinuities. Moreover, a strong dependence on grid resolution is observed across all three versions of the SPE11. However, our quantitative analysis suggests that the observed variations are predominantly influenced by factors not documented in the technical responses provided by the participants. We therefore identify that unreported variations due to human choices within the process of setting up, conducting, and reporting on the simulations underlying each SPE11 submission are at least as impactful as the computational choices reported.

physics.geo-ph

Numerical Investigation of Preferential Flow Paths in Enzymatically Induced Calcite Precipitation supported by Bayesian Model Analysis

The usability of enzymatically induced calcium carbonate precipitation (EICP) as a method for altering porous-media properties, soil stabilization, or biocementation depends on our ability to predict the spatial distribution of the precipitated calcium carbonate in porous media. While current REV-scale models are able to reproduce the main features of laboratory experiments, they neglect effects like the formation of preferential flow paths and the appearance of multiple polymorphs of calcium carbonate with differing properties. We show that extending an existing EICP model by the conceptual assumption of a mobile precipitate, amorphous calcium carbonate (ACC), allows for the formation of preferential flow paths when the initial porosity is heterogeneous. We apply sensitivity analysis and Bayesian inference to gain an understanding of the influence of characteristic parameters of ACC that are uncertain or unknown and compare two variations of the model based on different formulations of the ACC detachment term to analyse the plausibility of our hypothesis. An arbitrary Polynomial Chaos (aPC) surrogate model is trained based on the full model and used to reduce the computational cost of this study.

physics.comp-ph

A fully-implicit solving approach to an adaptive multi-scale model -- coupling a vertical-equilibrium and full-dimensional model for compressible, multi-phase flow in porous media

Vertical equilibrium models have proven to be well suited for simulating fluid flow in subsurface porous media such as saline aquifers with caprocks. However, in most cases the dimensionally reduced model lacks the accuracy to capture the dynamics of a system. While conventional full-dimensional models have the ability to represent dynamics, they come at the cost of high computational effort. We aim to combine the efficiency of the vertical equilibrium model and the accuracy of the full-dimensional model by coupling the two models adaptively in a unified framework and solving the emerging system of equations in a monolithic, fully-implicit approach. The model domains are coupled via mass-conserving fluxes while the model adaptivity is ruled by adaption criteria. Overall, the adaptive model shows an excellent behaviour both in terms of accuracy as well as efficiency, especially for elongated geometries of storage systems with large aspect ratios.

physics.flu-dyn

Visual Ensemble Analysis of Fluid Flow in Porous Media across Simulation Codes and Experiment

We study the question of how visual analysis can support the comparison of spatio-temporal ensemble data of liquid and gas flow in porous media. To this end, we focus on a case study, in which nine different research groups concurrently simulated the process of injecting CO2 into the subsurface. We explore different data aggregation and interactive visualization approaches to compare and analyze these nine simulations. In terms of data aggregation, one key component is the choice of similarity metrics that define the relation between the different simulations. We test different metrics and find that a fine-tuned machine-learning based metric provides the best visualization results. Based on that, we propose different visualization methods. For overviewing the data, we use dimensionality reduction methods that allow us to plot and compare the different simulations in a scatterplot. To show details about the spatio-temporal data of each individual simulation, we employ a space-time cube volume rendering. We use the resulting interactive, multi-view visual analysis tool to explore the nine simulations and also to compare them to data from experimental setups. Our main findings include new insights into ranking of simulation results with respect to experimental data, and the development of gravity fingers in simulations.

cs.HC

Upscaling and Effective Behavior for Two-Phase Porous-Medium Flow using a Diffuse Interface Model

We investigate two-phase flow in porous media and derive a two-scale model, which incorporates pore-scale phase distribution and surface tension into the effective behavior at the larger Darcy scale. The free-boundary problem at the pore scale is modeled using a diffuse interface approach in the form of a coupled Allen-Cahn Navier-Stokes system with an additional momentum flux due to surface tension forces. Using periodic homogenization and formal asymptotic expansions, a two-scale model with cell problems for phase evolution and velocity contributions is derived. We investigate the computed effective parameters and their relation to the saturation for different fluid distributions, in comparison to commonly used relative permeability saturation curves. The two-scale model yields non-monotone relations for relative permeability and saturation. The strong dependence on local fluid distribution and effects captured by the cell problems highlights the importance of incorporating pore-scale information into the macro-scale equations.

math.AP

The FluidFlower International Benchmark Study: Process, Modeling Results, and Comparison to Experimental Data

Successful deployment of geological carbon storage (GCS) requires an extensive use of reservoir simulators for screening, ranking and optimization of storage sites. However, the time scales of GCS are such that no sufficient long-term data is available yet to validate the simulators against. As a consequence, there is currently no solid basis for assessing the quality with which the dynamics of large-scale GCS operations can be forecasted. To meet this knowledge gap, we have conducted a major GCS validation benchmark study. To achieve reasonable time scales, a laboratory-size geological storage formation was constructed (the "FluidFlower"), forming the basis for both the experimental and computational work. A validation experiment consisting of repeated GCS operations was conducted in the FluidFlower, providing what we define as the true physical dynamics for this system. Nine different research groups from around the world provided forecasts, both individually and collaboratively, based on a detailed physical and petrophysical characterization of the FluidFlower sands. The major contribution of this paper is a report and discussion of the results of the validation benchmark study, complemented by a description of the benchmarking process and the participating computational models. The forecasts from the participating groups are compared to each other and to the experimental data by means of various indicative qualitative and quantitative measures. By this, we provide a detailed assessment of the capabilities of reservoir simulators and their users to capture both the injection and post-injection dynamics of the GCS operations.

physics.geo-ph

A sustainable infrastructure concept for improved accessibility, reusability, and archival of research software

Research software is an integral part of most research today and it is widely accepted that research software artifacts should be accessible and reproducible. However, the sustainable archival of research software artifacts is an ongoing effort. We identify research software artifacts as snapshots of the current state of research and an integral part of a sustainable cycle of software development, research, and publication. We develop requirements and recommendations to improve the archival, access, and reuse of research software artifacts based on installable, configurable, extensible research software, and sustainable public open-access infrastructure. The described goal is to enable the reuse and exploration of research software beyond published research results, in parallel with reproducibility efforts, and in line with the FAIR principles for data and software. Research software artifacts can be reused in varying scenarios. To this end, we design a multi-modal representation concept supporting multiple reuse scenarios. We identify types of research software artifacts that can be viewed as different modes of the same software-based research result, for example, installation-free configurable browser-based apps to containerized environments, descriptions in journal publications and software documentation, or source code with installation instructions. We discuss how the sustainability and reuse of research software are enhanced or enabled by a suitable archive infrastructure. Finally, at the example of a pilot project at the University of Stuttgart, Germany -- a collaborative effort between research software developers and infrastructure providers -- we outline practical challenges and experiences

cs.SE

Evaluation of tools for describing, reproducing and reusing scientific workflows

In the field of computational science and engineering, workflows often entail the application of various software, for instance, for simulation or pre- and postprocessing. Typically, these components have to be combined in arbitrarily complex workflows to address a specific research question. In order for peer researchers to understand, reproduce and (re)use the findings of a scientific publication, several challenges have to be addressed. For instance, the employed workflow has to be automated and information on all used software must be available for a reproduction of the results. Moreover, the results must be traceable and the workflow documented and readable to allow for external verification and greater trust. In this paper, existing workflow management systems (WfMSs) are discussed regarding their suitability for describing, reproducing and reusing scientific workflows. To this end, a set of general requirements for WfMSswere deduced from user stories that we deem relevant in the domain of computational science and engineering. On the basis of an exemplary workflow implementation, publicly hosted at GitHub (https:// github.com/BAMresearch/NFDI4IngScientificWorkflowRequirements), a selection of different WfMSs is compared with respect to these requirements, to support fellow scientists in identifying the WfMSs that best suit their requirements.

cs.SE

A Surrogate-Assisted Uncertainty-Aware Bayesian Validation Framework and its Application to Coupling Free Flow and Porous-Medium Flow

Existing model validation studies in geoscience often disregard or partly account for uncertainties in observations, model choices, and input parameters. In this work, we develop a statistical framework that incorporates a probabilistic modeling technique using a fully Bayesian approach to perform a quantitative uncertainty-aware validation. A Bayesian perspective on a validation task yields an optimal bias-variance trade-off against the reference data. It provides an integrative metric for model validation that incorporates parameter and conceptual uncertainty. Additionally, a surrogate modeling technique, namely Bayesian Sparse Polynomial Chaos Expansion, is employed to accelerate the computationally demanding Bayesian calibration and validation. We apply this validation framework to perform a comparative evaluation of models for coupling a free flow with a porous-medium flow. The correct choice of interface conditions and proper model parameters for such coupled flow systems is crucial for physically consistent modeling and accurate numerical simulations of applications. We develop a benchmark scenario that uses the Stokes equations to describe the free flow and considers different models for the porous-medium compartment and the coupling at the fluid--porous interface. These models include a porous-medium model using Darcy's law at the representative elementary volume scale with classical or generalized interface conditions and a pore-network model with its related coupling approach. We study the coupled flow problems' behaviors considering a benchmark case, where a pore-scale resolved model provides the reference solution. With the suggested framework, we perform sensitivity analysis, quantify the parametric uncertainties, demonstrate each model's predictive capabilities, and make a probabilistic model comparison.

stat.AP

Coupling staggered-grid and vertex-centered finite-volume methods for coupled porous-medium free-flow problems

In this work, a new discretization approach for coupled free and porous-medium flows is introduced, which uses a finite volume staggered-grid method for the discretization of the Navier-Stokes equations in the free-flow subdomain, while a vertex-centered finite volume method is used in the porous-medium flow domain. The latter allows for the use of unstructured grids in the porous-medium subdomain, and the presented method is capable of handling non-matching grids at the interface. In addition, the accurate evaluation of coupling terms and of additional nonlinear velocity-dependent terms in the porous medium is ensured by the use of basis functions and by having degrees of freedom naturally located at the interface. The available advantages of this coupling method are investigated in a series of tests: a convergence test for various grid types, an evaluation of the implementation of coupling conditions, and an example using the velocity dependent Forchheimer term in the porous-medium subdomain.

math.NA

Comparison of cell- and vertex-centered finite-volume schemes for flow in fractured porous media

Flow in fractured porous media is of high relevance in a variety of geotechnical applications, given the fact that they ubiquitously occur in nature and that they can have a substantial impact on the hydraulic properties of rock. As a response to this, an active field of research has developed over the past decades, focussing on the development of mathematical models and numerical methods to describe and simulate the flow processes in fractured rock. In this work, we present a comparison of different finite volume-based numerical schemes for the simulation of flow in fractured porous media by means of numerical experiments. Two novel vertex-centered approaches are presented and compared to well-established numerical schemes in terms of convergence behaviour and their performance on benchmark studies taken from the literature. The new schemes show to produce results that are in good agreement with those of established methods while being computationally less expensive on unstructured simplex grids.

math.NA

Surrogate-based Bayesian Comparison of Computationally Expensive Models: Application to Microbially Induced Calcite Precipitation

Geochemical processes in subsurface reservoirs affected by microbial activity change the material properties of porous media. This is a complex biogeochemical process in subsurface reservoirs that currently contains strong conceptual uncertainty. This means, several modeling approaches describing the biogeochemical process are plausible and modelers face the uncertainty of choosing the most appropriate one. Once observation data becomes available, a rigorous Bayesian model selection accompanied by a Bayesian model justifiability analysis could be employed to choose the most appropriate model, i.e. the one that describes the underlying physical processes best in the light of the available data. However, biogeochemical modeling is computationally very demanding because it conceptualizes different phases, biomass dynamics, geochemistry, precipitation and dissolution in porous media. Therefore, the Bayesian framework cannot be based directly on the full computational models as this would require too many expensive model evaluations. To circumvent this problem, we suggest performing both Bayesian model selection and justifiability analysis after constructing surrogates for the competing biogeochemical models. Here, we use the arbitrary polynomial chaos expansion. We account for the approximation error in the Bayesian analysis by introducing novel correction factors for the resulting model weights. Thereby, we extend the Bayesian justifiability analysis and assess model similarities for computationally expensive models. We demonstrate the method on a representative scenario for microbially induced calcite precipitation in a porous medium. Our extension of the justifiability analysis provides a suitable approach for the comparison of computationally demanding models and gives an insight on the necessary amount of data for a reliable model performance.

stat.AP

An Environment for Sustainable Research Software in Germany and Beyond: Current State, Open Challenges, and Call for Action

Research software has become a central asset in academic research. It optimizes existing and enables new research methods, implements and embeds research knowledge, and constitutes an essential research product in itself. Research software must be sustainable in order to understand, replicate, reproduce, and build upon existing research or conduct new research effectively. In other words, software must be available, discoverable, usable, and adaptable to new needs, both now and in the future. Research software therefore requires an environment that supports sustainability. Hence, a change is needed in the way research software development and maintenance are currently motivated, incentivized, funded, structurally and infrastructurally supported, and legally treated. Failing to do so will threaten the quality and validity of research. In this paper, we identify challenges for research software sustainability in Germany and beyond, in terms of motivation, selection, research software engineering personnel, funding, infrastructure, and legal aspects. Besides researchers, we specifically address political and academic decision-makers to increase awareness of the importance and needs of sustainable research software practices. In particular, we recommend strategies and measures to create an environment for sustainable research software, with the ultimate goal to ensure that software-driven research is valid, reproducible and sustainable, and that software is recognized as a first class citizen in research. This paper is the outcome of two workshops run in Germany in 2019, at deRSE19 - the first International Conference of Research Software Engineers in Germany - and a dedicated DFG-supported follow-up workshop in Berlin.

cs.GL

Verification benchmarks for single-phase flow in three-dimensional fractured porous media

Flow in fractured porous media occurs in the earth's subsurface, in biological tissues, and in man-made materials. Fractures have a dominating influence on flow processes, and the last decade has seen an extensive development of models and numerical methods that explicitly account for their presence. To support these developments, we present a portfolio of four benchmark cases for single-phase flow in three-dimensional fractured porous media. The cases are specifically designed to test the methods' capabilities in handling various complexities common to the geometrical structures of fracture networks. Based on an open call for participation, results obtained with 17 numerical methods were collected. This paper presents the underlying mathematical model, an overview of the features of the participating numerical methods, and their performance in solving the benchmark cases.

math.NA

DuMu$^\text{x}$ 3 -- an open-source simulator for solving flow and transport problems in porous media with a focus on model coupling

We present version 3 of the open-source simulator for flow and transport processes in porous media DuMu$^\text{x}$. DuMu$^\text{x}$ is based on the modular C++ framework Dune (Distributed and Unified Numerics Environment) and is developed as a research code with a focus on modularity and reusability. We describe recent efforts in improving the transparency and efficiency of the development process and community-building, as well as efforts towards quality assurance and reproducible research. In addition to a major redesign of many simulation components in order to facilitate setting up complex simulations in DuMu$^\text{x}$, version 3 introduces a more consistent abstraction of finite volume schemes. Finally, the new framework for multi-domain simulations is described, and three numerical examples demonstrate its flexibility.

cs.CE

Call for participation: Verification benchmarks for single-phase flow in three-dimensional fractured porous media

This call for participation proposes four benchmark tests to verify and compare numerical schemes to solve single-phase flow in fractured porous media. With this, the two-dimensional suite of benchmark tests presented by Flemisch et al. 2018 is extended to include three-dimensional problems. Moreover, transport simulations are included as a means to compare discretization methods for flow. With this publication, we invite researchers to contribute to the study by providing results to the test cases based on their applied discretization methods.

math.NA

An adaptive multiphysics model coupling vertical equilibrium and full multidimensions for multiphase flow in porous media

Efficient multiphysics models that can adapt to the varying complexity of physical processes in space and time are desirable for modeling fluid migration in the subsurface. Vertical equilibrium (VE) models are simplified mathematical models that are computationally efficient but rely on the assumption of instant gravity segregation of the two phases, which may not be valid at all times or at all locations in the domain. Here, we present a multiphysics model that couples a VE model to a full multidimensional model that has no reduction in dimensionality. We develop a criterion that determines subdomains where the VE assumption is valid during simulation. The VE model is then adaptively applied in those subdomains, reducing the number of computational cells due to the reduction in dimensionality, while the rest of the domain is solved by the full multidimensional model. We analyze how the threshold parameter of the criterion influences accuracy and computational cost of the new multiphysics model and give recommendations for the choice of optimal threshold parameters. Finally, we use a test case of gas injection to show that the adaptive multiphysics model is much more computationally efficient than using the full multidimensional model in the entire domain, while maintaining much of the accuracy.

physics.comp-ph