SFB 1313 is an interdisciplinary Collaborative Research Centre of the University of Stuttgart, consisting of four major project areas (A-D), divided in 17 individual research projects. It is funded by the German Research Foundation (DFG) and affiliated to the Cluster of Excellence "Data-integrated Simulation Science (SimTech)".

Interfaces have a great impact on multi-field processes (flow, transport and deformation) in porous-media systems. SFB 1313 aims to research these interfaces and to gain a fundamental understanding how they affect multi-field processes. An important step is therefore to quantify how the dynamics of fluid-fluid and fluid-solid interfaces in porous-media systems are affected by pore geometry, heterogeneity and fractures. Furthermore, developing experimental knowledge as well as mathematical and computational models will support SFB 1313‘s research.

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101 to 110 of 2,815 Results
int_v_com.npy
May 21, 2025 - Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
Unknown - 144 B - MD5: b93c9bfa799e7733b3af63bd271f70a7
Simulation Data
int_v_com.npy
May 21, 2025 - Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
Unknown - 144 B - MD5: 324ce21fd61e331d04caed15d7612616
Simulation Data
int_v_com.npy
May 21, 2025 - Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
Unknown - 144 B - MD5: 3d5e30fa1ad2cfb975e868b2de3e84b9
Simulation Data
methane_gross2001.json
May 21, 2025 - Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
JSON - 507 B - MD5: 6170a810fdb01a93a4dbb6f437ffe0c5
PC-SAFT parameters for methane as published in gross et al. 2001.
PAPER_dynamicContactAngles_newPlots.ipynb
May 21, 2025 - Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
Jupyter Notebook - 39.8 KB - MD5: aa2385b4d57e50fb7a6770f67a5614ce
This notebook can be used to visualize density profiles of equilibrium and dynamic droplet simulations (DFT, HDFT, MD, NEMD), and to determine the respective contact angle.
PAPER_initial_profiles_dynamicContactAngle_pcsaft.ipynb
May 21, 2025 - Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
Jupyter Notebook - 14.8 KB - MD5: c152f5cd4d9d0de662c21309a77237af
This notebook can be used to determine the initial information required for a hydrodynamic DFT simulation. This comprises the external potential, the weighted density of wall atoms (for entropy scaling) and the initial density profile (i.e. an equilibrated droplet) from DFT.
PAPER_md_simulations.ipynb
May 21, 2025 - Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
Jupyter Notebook - 24.7 KB - MD5: 519ebc917158d6b72904fa2691ce5b48
This notebook can be used to postprocess (NE)MD simulations carried out using LAMMPS. It is assumed, that the simulations are carried out with the in.lammps files and that trajectories are stored in a traj.lammpsdump file.
PAPER_velocity_andCOM_Plots.ipynb
May 21, 2025 - Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
Jupyter Notebook - 28.0 KB - MD5: 1f16d92f41eaed52a9bda964c4a4a82e
This notebook can be used to determine and plot the center of mass position of the droplet, to calculate the average or steady-state velocity of the droplet and to visualize two dimensional velocity profiles
README.txt
May 21, 2025 - Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
Plain Text - 2.3 KB - MD5: d1c24713c34daba5c3411f51be8486cb
Summary of information included in this repository.
rho_t_com.npy
May 21, 2025 - Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
Unknown - 500.5 MB - MD5: 10670347fd1c251001e3b8b4ad74a76d
Simulation Data
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