SFB 1313 "Interface-Driven Multi-Field Processes in Porous Media"

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Funding Information Identifier: EXC 2075 - 390740016 Data Generation: Simulation

1 to 6 of 6 Results

Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity May 21, 2025 - A01: Molecular detail in ﬂuid simulations: Density Functional Theory within component and momentum balances Bursik, Benjamin; Stierle, Rolf; Bauer, Gernot; Gross, Joachim, 2025, "Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity", https://doi.org/10.18419/DARUS-4528, DaRUS, V1 Several files are included here: Jupyter notebooks which can be used a) to visualize density profiles of equilibrium and dynamic droplet simulations (DFT, HDFT, MD, NEMD), and to determine the respective contact angle b) to determine and plot the center of mass position of the droplet, to calculate the average or steady-state velocity of the drople...
Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling 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 calculation of densities from DFT, viscosity and velocity profiles from entro...
Numerical investigation results of 3D porous structures using stochastic reconstruction algorithm Sep 6, 2023 - Publication: Development of stochastically reconstructed 3D porous media micromodels using additive manufacturing: numerical and experimental validation Lee, Dongwon; Ruf, Matthias; Yiotis, Andreas; Steeb, Holger, 2023, "Numerical investigation results of 3D porous structures using stochastic reconstruction algorithm", https://doi.org/10.18419/DARUS-3244, DaRUS, V1 This dataset contains the outcomes of conducted numerical simulations, rooted in designs generated using a stochastic algorithm devised by Quiblie (1984), Adler et al. (1990), and Hyman et al. (2014). Moreover, the investigation employed Lattice Boltzmann simulation, as used in previous study by Psihogios et al. (2007), where the simulations were f...
Data for: Measurement Campaign of Gaseous CO2 Concentrations in a Karst Cave with Aqueous Concentrations in a Stagnant Water Column 2021-2022. Feb 13, 2023 - C04: Pore-scale and REV-scale approaches to biological and chemical pore-space alteration in porous media Keim, Leon; Class, Holger; Schirmer, Larissa; Wendel, Kai; Strauch, Bettina; Zimmer, Martin, 2023, "Data for: Measurement Campaign of Gaseous CO2 Concentrations in a Karst Cave with Aqueous Concentrations in a Stagnant Water Column 2021-2022.", https://doi.org/10.18419/DARUS-3271, DaRUS, V1 This dataset contains data generated during the measurement campaign inside the karst cave. The CO2 sensors in the cave air will continue to measure (as of Feb. 2023). For details on the site etc. see https://doi.org/10.3390/geosciences13020051 To create the graphs in the Class et al. 2023 Download cave-data.tar.xz, make sure you have the dependenc...
Dumux code for modelling stable water isotopologue transport and fractionation Oct 6, 2022 - C-X5 Kiemle, Stefanie; Heck, Katharina, 2022, "Dumux code for modelling stable water isotopologue transport and fractionation", https://doi.org/10.18419/DARUS-3105, DaRUS, V1 Dumux source code to reproduce the results presented in S. Kiemle, K. Heck, E. Coltman, R. Helmig (2023) Stable water isotopologue fractionation during soil-water evaporation: Analysis using a coupled soil-atmosphere model. Water Resources Research. The contained application allows to model stable water isotopologue transport and fractionation in s...
Data set for reproducing plots showing stable water isotopologue transport and fractionation Oct 6, 2022 - C-X5 Kiemle, Stefanie; Heck, Katharina, 2022, "Data set for reproducing plots showing stable water isotopologue transport and fractionation", https://doi.org/10.18419/DARUS-3108, DaRUS, V1 This data set includes the .csv data and the used scripts to reproduce the plots of the three different scenarios presented in S. Kiemle, K. Heck, E. Coltman, R. Helmig (2022) Stable water isotopologue fractionation during soil-water evaporation: Analysis using a coupled soil-atmosphere model. (Under review) Water Resources Research. .csv files T...

Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity

May 21, 2025 - A01: Molecular detail in ﬂuid simulations: Density Functional Theory within component and momentum balances

Bursik, Benjamin; Stierle, Rolf; Bauer, Gernot; Gross, Joachim, 2025, "Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity", https://doi.org/10.18419/DARUS-4528, DaRUS, V1

Several files are included here: Jupyter notebooks which can be used a) to visualize density profiles of equilibrium and dynamic droplet simulations (DFT, HDFT, MD, NEMD), and to determine the respective contact angle b) to determine and plot the center of mass position of the droplet, to calculate the average or steady-state velocity of the drople...

Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling

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 calculation of densities from DFT, viscosity and velocity profiles from entro...

Numerical investigation results of 3D porous structures using stochastic reconstruction algorithm

Sep 6, 2023 - Publication: Development of stochastically reconstructed 3D porous media micromodels using additive manufacturing: numerical and experimental validation

Lee, Dongwon; Ruf, Matthias; Yiotis, Andreas; Steeb, Holger, 2023, "Numerical investigation results of 3D porous structures using stochastic reconstruction algorithm", https://doi.org/10.18419/DARUS-3244, DaRUS, V1

This dataset contains the outcomes of conducted numerical simulations, rooted in designs generated using a stochastic algorithm devised by Quiblie (1984), Adler et al. (1990), and Hyman et al. (2014). Moreover, the investigation employed Lattice Boltzmann simulation, as used in previous study by Psihogios et al. (2007), where the simulations were f...

Data for: Measurement Campaign of Gaseous CO2 Concentrations in a Karst Cave with Aqueous Concentrations in a Stagnant Water Column 2021-2022.

Feb 13, 2023 - C04: Pore-scale and REV-scale approaches to biological and chemical pore-space alteration in porous media

Keim, Leon; Class, Holger; Schirmer, Larissa; Wendel, Kai; Strauch, Bettina; Zimmer, Martin, 2023, "Data for: Measurement Campaign of Gaseous CO2 Concentrations in a Karst Cave with Aqueous Concentrations in a Stagnant Water Column 2021-2022.", https://doi.org/10.18419/DARUS-3271, DaRUS, V1

This dataset contains data generated during the measurement campaign inside the karst cave. The CO2 sensors in the cave air will continue to measure (as of Feb. 2023). For details on the site etc. see https://doi.org/10.3390/geosciences13020051 To create the graphs in the Class et al. 2023 Download cave-data.tar.xz, make sure you have the dependenc...

Dumux code for modelling stable water isotopologue transport and fractionation

Oct 6, 2022 - C-X5

Kiemle, Stefanie; Heck, Katharina, 2022, "Dumux code for modelling stable water isotopologue transport and fractionation", https://doi.org/10.18419/DARUS-3105, DaRUS, V1

Dumux source code to reproduce the results presented in S. Kiemle, K. Heck, E. Coltman, R. Helmig (2023) Stable water isotopologue fractionation during soil-water evaporation: Analysis using a coupled soil-atmosphere model. Water Resources Research. The contained application allows to model stable water isotopologue transport and fractionation in s...

Data set for reproducing plots showing stable water isotopologue transport and fractionation

Oct 6, 2022 - C-X5

Kiemle, Stefanie; Heck, Katharina, 2022, "Data set for reproducing plots showing stable water isotopologue transport and fractionation", https://doi.org/10.18419/DARUS-3108, DaRUS, V1

This data set includes the *.csv data and the used scripts to reproduce the plots of the three different scenarios presented in S. Kiemle, K. Heck, E. Coltman, R. Helmig (2022) Stable water isotopologue fractionation during soil-water evaporation: Analysis using a coupled soil-atmosphere model. (Under review) Water Resources Research. *.csv files T...

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