Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity
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https://darus.uni-stuttgart.de/citation?persistentId=doi:10.18419/DARUS-4528
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资源简介:
Several files are included here:
<ol>
<li>Jupyter notebooks which can be used
<ul>
<li>a) to visualize density profiles of equilibrium and dynamic droplet simulations (DFT, HDFT, MD, NEMD), and to determine the respective contact angle</li>
<li>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</li>
<li>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.</li>
</ul>
</li>
<li>The enviroment.yml file, which can be used with anaconda to setup the python enviroment (conda env create -f environment.yml)</li>
<li>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.</li>
</ol>
提供机构:
DaRUS
创建时间:
2024-10-11



