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Subject: Computer and Information Science Deposit Date: 2021 Data Generation: Simulation

1 to 9 of 9 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...
Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Mar 9, 2022 - Molecular Simulation Kraus, Hamzeh; Hansen, Niels, 2022, "Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'", https://doi.org/10.18419/darus-2154, DaRUS, V1 This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for all simulations conducted within the paper. The simulation is divided into three steps, an energy-minimizati...
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...
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...
Replication Data for: Nonlinear mixed-dimension model for embedded tubular networks with application to root water uptake Jul 6, 2021 - RootWaterUptake Koch, Timo; Wu, Hanchuan; Schneider, Martin, 2021, "Replication Data for: Nonlinear mixed-dimension model for embedded tubular networks with application to root water uptake", https://doi.org/10.18419/darus-2042, DaRUS, V1 This dataset contains scripts and data used to reproduce the results in the related publication (Koch et al. 2021). In detail, it contains data and scripts to show the effect of the Kirchhoff transformation for diffusion coefficients; convergence results for single and mutiple tu...
Replication Data for: Load-Balancing for Scalable Simulations with Large Particle Numbers Jun 7, 2021 - Publications Hirschmann, Steffen, 2021, "Replication Data for: Load-Balancing for Scalable Simulations with Large Particle Numbers", https://doi.org/10.18419/darus-1851, DaRUS, V1, UNF:6:WXqt4IDAIDGnJB9tcwMhdg== [fileUNF] This dataset contains input data, scripts, etc. for replicating the numerical experiments in Steffen Hirschmann's dissertation. The data is prefixed with folders indicating the specific experiment as is the processing metadata. The experiments are: 00_periodicity_experiment: Expe...
Setup and Data for: 3D conjugate heat transfer simulation in a Berea sandstone sample May 18, 2021 - Dual-network model Müller, Johannes; Koch, Timo; Weishaupt, Kilian, 2021, "Setup and Data for: 3D conjugate heat transfer simulation in a Berea sandstone sample", https://doi.org/10.18419/darus-1806, DaRUS, V1 This Dataset contains the fluid and solid temperature fields used as reference in the Related Publication (doi:10.1007/s11242-021-01602-5). It results from a 3D conjugate heat transfer simulation of a Berea sandstone sample. The Mesh was extracted from an CT-image provided by Don...
Replication Data for: Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces Mar 25, 2021 - Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces Jaust, Alexander; Weishaupt, Kilian; Flemisch, Bernd; Schulte, Miriam, 2021, "Replication Data for: Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces", https://doi.org/10.18419/darus-1644, DaRUS, V1 This repository contains simulation data used in https://doi.org/10.1007/978-3-030-43651-3_57 including the scripts for determining the errors presented in the publication. Additional results for Navier-Stokes flow has been added. Further information on the dataset, its structure...
2d microstructure data Feb 15, 2021 - Data Analytics in Engineering Lißner, Julian, 2020, "2d microstructure data", https://doi.org/10.18419/darus-1151, DaRUS, V2 The hdf5 file contains image data of inclusion based microstructured material and the homogenized effective heat conductivity thereof. The microstructure is defined with a representative volume element with periodic boundary conditions. 30.000 images are contained and split into...

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...

Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Mar 9, 2022 - Molecular Simulation

Kraus, Hamzeh; Hansen, Niels, 2022, "Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'", https://doi.org/10.18419/darus-2154, DaRUS, V1

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for all simulations conducted within the paper. The simulation is divided into three steps, an energy-minimizati...

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...

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...

Replication Data for: Nonlinear mixed-dimension model for embedded tubular networks with application to root water uptake

Jul 6, 2021 - RootWaterUptake

Koch, Timo; Wu, Hanchuan; Schneider, Martin, 2021, "Replication Data for: Nonlinear mixed-dimension model for embedded tubular networks with application to root water uptake", https://doi.org/10.18419/darus-2042, DaRUS, V1

This dataset contains scripts and data used to reproduce the results in the related publication (Koch et al. 2021). In detail, it contains data and scripts to show the effect of the Kirchhoff transformation for diffusion coefficients; convergence results for single and mutiple tu...

Replication Data for: Load-Balancing for Scalable Simulations with Large Particle Numbers

Jun 7, 2021 - Publications

Hirschmann, Steffen, 2021, "Replication Data for: Load-Balancing for Scalable Simulations with Large Particle Numbers", https://doi.org/10.18419/darus-1851, DaRUS, V1, UNF:6:WXqt4IDAIDGnJB9tcwMhdg== [fileUNF]

This dataset contains input data, scripts, etc. for replicating the numerical experiments in Steffen Hirschmann's dissertation. The data is prefixed with folders indicating the specific experiment as is the processing metadata. The experiments are: 00_periodicity_experiment: Expe...

Setup and Data for: 3D conjugate heat transfer simulation in a Berea sandstone sample

May 18, 2021 - Dual-network model

Müller, Johannes; Koch, Timo; Weishaupt, Kilian, 2021, "Setup and Data for: 3D conjugate heat transfer simulation in a Berea sandstone sample", https://doi.org/10.18419/darus-1806, DaRUS, V1

This Dataset contains the fluid and solid temperature fields used as reference in the Related Publication (doi:10.1007/s11242-021-01602-5). It results from a 3D conjugate heat transfer simulation of a Berea sandstone sample. The Mesh was extracted from an CT-image provided by Don...

Replication Data for: Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces

Mar 25, 2021 - Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces

Jaust, Alexander; Weishaupt, Kilian; Flemisch, Bernd; Schulte, Miriam, 2021, "Replication Data for: Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces", https://doi.org/10.18419/darus-1644, DaRUS, V1

This repository contains simulation data used in https://doi.org/10.1007/978-3-030-43651-3_57 including the scripts for determining the errors presented in the publication. Additional results for Navier-Stokes flow has been added. Further information on the dataset, its structure...

2d microstructure data

Feb 15, 2021 - Data Analytics in Engineering

Lißner, Julian, 2020, "2d microstructure data", https://doi.org/10.18419/darus-1151, DaRUS, V2

The hdf5 file contains image data of inclusion based microstructured material and the homogenized effective heat conductivity thereof. The microstructure is defined with a representative volume element with periodic boundary conditions. 30.000 images are contained and split into...

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