1 to 5 of 5 Results
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 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)... |