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Data Generation: Simulation Publication Year: 2021

1 to 10 of 25 Results

Dumux code for creating results in dual network publication Jun 21, 2022 - Dual-network model Koch, Timo; Weishaupt, Kilian, 2021, "Dumux code for creating results in dual network publication", https://doi.org/10.18419/darus-1825, DaRUS, V2 Dumux source to produce some of the result in T. Koch, K. Weishaupt, J. Müller, B. Weigand, R.Helmig (2021) A (dual) network model for heat transfer in porous media, Transport in Porous Media doi: 10.1007/s11242-021-01602-5. The contained applications allow to perform dual networ...
Data for: On the role of density-driven dissolution of CO2 in karstification Dec 2, 2021 - Density-driven dissolution of CO2 in karst water Class, Holger; Bürkle, Pascal; Trötschler, Oliver; Zimmer, Martin; Strauch, Bettina, 2021, "Data for: On the role of density-driven dissolution of CO2 in karstification", https://doi.org/10.18419/darus-2040, DaRUS, V1, UNF:6:MLmw+UrdmPEjg9Db5HtPDw== [fileUNF] Summary: Data of the "density-driven dissolution of CO2 in karst water" column experiment. A laboratory column was filled with tapwater (water level 5,55 m) and exposed it to an elevated gaseous CO2-concentration, roughly 50 times the current atmospheric concentration (20000 +/-...
Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes" Nov 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Ziegler, Felix; Benedikter, Mathis; Wang, Dongren, 2021, "Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-2248, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: qp...
Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B' Nov 25, 2021 - Molecular Simulation Markthaler, Daniel; Hansen, Niels, 2021, "Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'", https://doi.org/10.18419/darus-2104, DaRUS, V1 This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and doub...
Data for: Evaporation driven by conductive heat transport Nov 11, 2021 - Subarea B6 Homes, Simon; Heinen, Matthias; Vrabec, Jadran; Fischer, Johann, 2021, "Data for: Evaporation driven by conductive heat transport", https://doi.org/10.18419/darus-2230, DaRUS, V1 The present data is a digest of the simulations conducted in the scope of the related publication. The phenomena of stationary evaporation of the Lennard-Jones-truncated-shifted fluid was studied using large scale Molecular Dynamics (MD) simulations. The domain of the conducted s...
Data for: Relying on Dynamically Morphing Blades to Increase the Efficiency of a Cycloidal Rotor Oct 21, 2021 - Cyclorotor Huang, Doudou; Gagnon, Louis, 2021, "Data for: Relying on Dynamically Morphing Blades to Increase the Efficiency of a Cycloidal Rotor", https://doi.org/10.18419/darus-2191, DaRUS, V1 OpenFOAM simulation case files and results accompanying the article having the same title are included. The pressure, velocity and vorticity fields could be visualized by using Paraview. The simulation of the last rotor revolution of each case can be reproduced by running the res...
Replication Data for: Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach Oct 7, 2021 - Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach Jaust, Alexander; Schmidt, Patrick, 2021, "Replication Data for: Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach", https://doi.org/10.18419/darus-1778, DaRUS, V1 This repository contains simulation data and postprocessing scripts used in the publication: Schmidt, P., Jaust, A., Steeb, H., Schulte, M.: "Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach". Computational Geosciences (2022). do...
Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface Sep 30, 2021 - SFB 1333 C1 - Dyballa group, ITC Rieg, Carolin, 2021, "Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface", https://doi.org/10.18419/darus-2119, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. Data from collaborating groups, especially the Kästner (C4) and the Schmitz group (C3), can be found in the same dataset. Th...
Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes' Sep 14, 2021 - Molecular Simulation Kraus, Hamzeh; Hansen, Niels, 2021, "Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'", https://doi.org/10.18419/darus-1752, DaRUS, V1 This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory Mdp) are provided for four simulations - a 2.5 nm pore with one catalyst molecule, a 2.5 nm pore with two catalyst...
Case 3 - Small Features Sep 9, 2021 - Verification benchmarks for single-phase flow in three-dimensional fractured porous media Gläser, Dennis, 2021, "Case 3 - Small Features", https://doi.org/10.18419/darus-2081, DaRUS, V1 This dataset contains results related to the benchmark case 3 as described in detail in the call for participation. The sub-folder "reference" contains solutions for pressure in both the fractures and the bulk porous matrix on five different refinement levels. The naming scheme i...

Dumux code for creating results in dual network publication

Jun 21, 2022 - Dual-network model

Koch, Timo; Weishaupt, Kilian, 2021, "Dumux code for creating results in dual network publication", https://doi.org/10.18419/darus-1825, DaRUS, V2

Dumux source to produce some of the result in T. Koch, K. Weishaupt, J. Müller, B. Weigand, R.Helmig (2021) A (dual) network model for heat transfer in porous media, Transport in Porous Media doi: 10.1007/s11242-021-01602-5. The contained applications allow to perform dual networ...

Data for: On the role of density-driven dissolution of CO2 in karstification

Dec 2, 2021 - Density-driven dissolution of CO2 in karst water

Class, Holger; Bürkle, Pascal; Trötschler, Oliver; Zimmer, Martin; Strauch, Bettina, 2021, "Data for: On the role of density-driven dissolution of CO2 in karstification", https://doi.org/10.18419/darus-2040, DaRUS, V1, UNF:6:MLmw+UrdmPEjg9Db5HtPDw== [fileUNF]

Summary: Data of the "density-driven dissolution of CO2 in karst water" column experiment. A laboratory column was filled with tapwater (water level 5,55 m) and exposed it to an elevated gaseous CO2-concentration, roughly 50 times the current atmospheric concentration (20000 +/-...

Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"

Nov 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Ziegler, Felix; Benedikter, Mathis; Wang, Dongren, 2021, "Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-2248, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: qp...

Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'

Nov 25, 2021 - Molecular Simulation

Markthaler, Daniel; Hansen, Niels, 2021, "Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'", https://doi.org/10.18419/darus-2104, DaRUS, V1

This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and doub...

Data for: Evaporation driven by conductive heat transport

Nov 11, 2021 - Subarea B6

Homes, Simon; Heinen, Matthias; Vrabec, Jadran; Fischer, Johann, 2021, "Data for: Evaporation driven by conductive heat transport", https://doi.org/10.18419/darus-2230, DaRUS, V1

The present data is a digest of the simulations conducted in the scope of the related publication. The phenomena of stationary evaporation of the Lennard-Jones-truncated-shifted fluid was studied using large scale Molecular Dynamics (MD) simulations. The domain of the conducted s...

Data for: Relying on Dynamically Morphing Blades to Increase the Efficiency of a Cycloidal Rotor

Oct 21, 2021 - Cyclorotor

Huang, Doudou; Gagnon, Louis, 2021, "Data for: Relying on Dynamically Morphing Blades to Increase the Efficiency of a Cycloidal Rotor", https://doi.org/10.18419/darus-2191, DaRUS, V1

OpenFOAM simulation case files and results accompanying the article having the same title are included. The pressure, velocity and vorticity fields could be visualized by using Paraview. The simulation of the last rotor revolution of each case can be reproduced by running the res...

Replication Data for: Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach

Oct 7, 2021 - Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach

Jaust, Alexander; Schmidt, Patrick, 2021, "Replication Data for: Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach", https://doi.org/10.18419/darus-1778, DaRUS, V1

This repository contains simulation data and postprocessing scripts used in the publication: Schmidt, P., Jaust, A., Steeb, H., Schulte, M.: "Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach". Computational Geosciences (2022). do...

Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface

Sep 30, 2021 - SFB 1333 C1 - Dyballa group, ITC

Rieg, Carolin, 2021, "Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface", https://doi.org/10.18419/darus-2119, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. Data from collaborating groups, especially the Kästner (C4) and the Schmitz group (C3), can be found in the same dataset. Th...

Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'

Sep 14, 2021 - Molecular Simulation

Kraus, Hamzeh; Hansen, Niels, 2021, "Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'", https://doi.org/10.18419/darus-1752, DaRUS, V1

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory Mdp) are provided for four simulations - a 2.5 nm pore with one catalyst molecule, a 2.5 nm pore with two catalyst...

Case 3 - Small Features

Sep 9, 2021 - Verification benchmarks for single-phase flow in three-dimensional fractured porous media

Gläser, Dennis, 2021, "Case 3 - Small Features", https://doi.org/10.18419/darus-2081, DaRUS, V1

This dataset contains results related to the benchmark case 3 as described in detail in the call for participation. The sub-folder "reference" contains solutions for pressure in both the fractures and the bulk porous matrix on five different refinement levels. The naming scheme i...

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