SFB 1313 is an interdisciplinary Collaborative Research Centre of the University of Stuttgart, consisting of four major project areas (A-D), divided in 17 individual research projects. It is funded by the German Research Foundation (DFG) and affiliated to the Cluster of Excellence "Data-integrated Simulation Science (SimTech)".

Interfaces have a great impact on multi-field processes (flow, transport and deformation) in porous-media systems. SFB 1313 aims to research these interfaces and to gain a fundamental understanding how they affect multi-field processes. An important step is therefore to quantify how the dynamics of fluid-fluid and fluid-solid interfaces in porous-media systems are affected by pore geometry, heterogeneity and fractures. Furthermore, developing experimental knowledge as well as mathematical and computational models will support SFB 1313‘s research.

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Apr 11, 2024C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour
Dataverse collecting the simulation input scripts around the theoretical studies of the ANR funded project "Transport of Water In Soft confinemenT (TWIST)"
Mar 25, 2024 - A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances
Bursik, Benjamin; Stierle, Rolf; Schlaich, Alexander; Rehner, Philipp; Gross, Joachim, 2024, "Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling", https://doi.org/10.18419/darus-3769, DaRUS, V1
This data set contains data of three categories: 1) LAMMPS input files (.lammps), postprocessing python script (.py) and density and velocity profiles (.dat) from NEMD. 2) DFT three-dimensional density profiles (.npy) for all systems. 3) Jupyter notebooks (.ipynb) for the calcula...
Mar 5, 2024
Mar 1, 2024 - A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances
Bursik, Benjamin; Eller, Johannes; Gross, Joachim, 2024, "Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data", https://doi.org/10.18419/darus-3756, DaRUS, V1, UNF:6:0QTV2eSt2s5RktyiTCTmAg== [fileUNF]
This dataset contains three types of data: 1) Jupyter notebooks (.ipynb) for the calculation of solvation free energies and for the recreation of all figures in the publication; 2) Gromacs files containing the solute and solvent topology (.gro, .itp, .top), the trajectories (.trr...
Feb 22, 2024 - A02: Advanced modelling concepts for coupling free flow with porous-media flow
Gläser, Dennis, 2024, "Results for Stokes-Darcy mortar method", https://doi.org/10.18419/darus-3599, DaRUS, V1
This dataset contains the results of the examples shown in the publication #TODO: add doi once accepted#. The first one investigates the orders of convergence with respect to the mesh size for different element types, as well as the efficiency of the interface preconditioner. The...
Feb 22, 2024 - A02: Advanced modelling concepts for coupling free flow with porous-media flow
Gläser, Dennis, 2024, "Dumux code for Stokes-Darcy mortar method", https://doi.org/10.18419/darus-3598, DaRUS, V1
This dataset contains the source code for the examples shown in Boon, W.M., Gläser, D., Helmig, R. and Yotov, I. A mortar method for the coupled Stokes-Darcy problem using the MAC scheme for Stokes and mixed finite elements for Darcy. Comput Geosci (2024). https://doi.org/10.1007...
Feb 16, 2024 - C-X5
Kiemle, Stefanie; Schneider, Jana; Heck, Katharina, 2024, "Replication data for analyzing stable water isotopologue transport within soils using fractionation parameterizations", https://doi.org/10.18419/darus-3572, DaRUS, V1
Replication data to reproduce the results presented in J. Schneider & S. Kiemle, K. Heck, Y. Rothfuss, I. Braud, R. Helmig, J. Vanderborght (2024) Analysis of Experimental and Simulation Data of Evaporation-Driven Isotopic Fractionation in Unsaturated Porous Media. (Under review)...
Dec 11, 2023 - C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour
Lohrmann, Christoph; Holm, Christian, 2023, "Replication Data for: Lohrmann, Holm, Datta: Influence of bacterial motility and hydrodynamics on phage bacteria encounters", https://doi.org/10.18419/darus-3836, DaRUS, V1
Code and Data for "Influence of bacterial motility and hydrodynamics on phage bacteria encounters". For details, see README.md
Oct 11, 2023 - NMR insights into nanoconfined water using the surface exchange model
Gravelle, Simon, 2023, "Molecular simulation scripts for slit nanopores with tunable hydrophilicity", https://doi.org/10.18419/darus-3732, DaRUS, V1
GROMACS molecular simulation input files for slit nanopores filled with liquid water. Initial configuration can be generated using the Python script build_system.py. Use the bash script run_gmx.sh to run GROMACS. See the README.md file.
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