We investigate the flow structure and the porosity-permeability relationship of porous media that undergo morphology modifications due to evaporation or microbially induced calcite precipitation, as well as wettability modifications of the solid-fluid interface due to fluid pH, composition, or salt con¬centration changes. We develop simulation methods based on coupled multi-phase and multi-component Lattice-Boltzmann and solute molecular dynamics simulations, capable of reproducing these processes in detail on the pore scale, yielding results to be used to improve existing continuum models.
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1 to 10 of 17 Results
Thin Film Water on NaCl(100)(Universität Stuttgart)
Mar 17, 2022
Molecular dynamics input script, raw data, and video of thin water film at the NaCl surface.
Jan 14, 2021 - lee18b_supplement
Lee, Miru, 2021, "Simulation Scripts for Motile Bacteria in a Channel", https://doi.org/10.18419/darus-1188, DaRUS, V1
Simulation scripts to simulate bacteria in a channel. Motility patterns run and tumble or straight swimming are supported. Requires Espresso simulation package. (http://espressomd.org/) For more information, see README.MD
Apr 11, 2024
Dataverse collecting the simulation input scripts around the theoretical studies of the ANR funded project "Transport of Water In Soft confinemenT (TWIST)"
Aug 7, 2023
Lohrmann, Christoph; Holm, Christian, 2023, "Replication Data for: Lohrmann, Holm: Optimal motility strategies for self-propelled agents to explore porous media", https://doi.org/10.18419/darus-3608, DaRUS, V1
Code, Data and additional Material for "Optimal motility strategies for self-propelled agents to explore porous media". For details, see README.md
Aug 15, 2023
Lohrmann, Christoph; Holm, Christian, 2023, "Replication Data for: Lohrmann, Holm: A novel model for biofilm initiation in porous media flow", https://doi.org/10.18419/darus-3680, DaRUS, V1
Code and Data for "A novel model for biofilm initiation in porous media flow". For details, see README.md
Dec 11, 2023
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
Apr 23, 2024 - Simulation input scripts to study Transport of Water In Soft confinemenT (TWIST)
Schlaich, Alexander, 2024, "Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials", https://doi.org/10.18419/darus-3966, DaRUS, V1
Simulation input scripts used for "Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials" The folders the corresponding simulation and analysis files to setup the simulation systems (SETUP), perform the GCMC/MD simulations (ISOTHER...
Mar 3, 2023
Molecular dynamics input scripts.
Oct 1, 2023
Molecular dynamics input scripts for GROMACS, and data analysis scripts in Python.
Mar 25, 2022 - Thin Film Water on NaCl(100)
Gravelle, Simon, 2022, "Movies of thin film water on rough NaCl surface", https://doi.org/10.18419/darus-2770, DaRUS, V1
Videos showing water molecules at a rough sodium chloride solid surface for different roughness and different water chemical potential. The force field for the water is TIP4P/epsilon (https://doi.org/10.1021/jp410865y), and the force field for the ions is from Loche et al. (https...
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