%0 Generic %1 bursik2025supplementary %A Bursik, Benjamin %A Stierle, Rolf %A Bauer, Gernot %A Groß, Joachim %D 2025 %K %R 10.18419/darus-4528 %T Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity %X 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 droplet and to visualize two dimensional velocity profiles c)* 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. The enviroment.yml file, which can be used with anaconda to setup the python enviroment (conda env create -f environment.yml). A folder containing data for density profiles, velocity profiles, center-of-mass positions and velocities over time. These files are loaded from the jupyter notebooks.

@misc{bursik2025supplementary, abstract = {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 droplet and to visualize two dimensional velocity profiles c)* 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. The enviroment.yml file, which can be used with anaconda to setup the python enviroment (conda env create -f environment.yml). A folder containing data for density profiles, velocity profiles, center-of-mass positions and velocities over time. These files are loaded from the jupyter notebooks. }, added-at = {2025-05-26T11:26:36.000+0200}, affiliation = {Bursik, Benjamin/University of Stuttgart, Stierle, Rolf/University of Stuttgart, Bauer, Gernot/University of Stuttgart, Gross, Joachim/University of Stuttgart}, author = {Bursik, Benjamin and Stierle, Rolf and Bauer, Gernot and Groß, Joachim}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/26e5faa9d0dd49a8e23546f23f385411b/unibiblio}, doi = {10.18419/darus-4528}, howpublished = {Dataset}, interhash = {7e43bac6999c493148ec3f758001596c}, intrahash = {6e5faa9d0dd49a8e23546f23f385411b}, keywords = {}, note = {Related to: in submission}, orcid-numbers = {Bursik, Benjamin/0000-0003-2337-7014, Stierle, Rolf/0000-0001-7475-7207, Bauer, Gernot/0000-0002-5211-5358, Gross, Joachim/0000-0001-8632-357X}, timestamp = {2025-05-26T09:26:36.000+0200}, title = {Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity}, year = 2025 }