SurfaceWCA ---------- The SurfaceWCA potential models the interaction between particles and a planar surface using the Weeks-Chandler-Andersen (WCA) potential. It is a purely repulsive potential, useful for modeling excluded volume effects near surfaces. There are two types of SurfaceWCA potentials implemented: SurfaceWCAType1 ~~~~~~~~~~~~~~~ .. math:: U(z) = \begin{cases} 4\epsilon \left[ \left(\frac{\sigma}{z-z_s}\right)^{12} - \left(\frac{\sigma}{z-z_s}\right)^6 \right] + \epsilon & \text{if } z-z_s < 2^{1/6}\sigma \\ 0 & \text{if } z-z_s \geq 2^{1/6}\sigma \end{cases} SurfaceWCAType2 ~~~~~~~~~~~~~~~ .. math:: U(z) = \begin{cases} \epsilon \left[ \left(\frac{\sigma}{z-z_s}\right)^{12} - 2\left(\frac{\sigma}{z-z_s}\right)^6 \right] + \epsilon & \text{if } z-z_s < \sigma \\ 0 & \text{if } z-z_s \geq \sigma \end{cases} where: * :math:`\epsilon` is the energy scale of the interaction * :math:`\sigma` is the characteristic distance * :math:`z` is the distance of the particle from the surface * :math:`z_s` is the position of the surface ---- * **type**: ``Surface``, ``SurfaceWCAType1`` or ``SurfaceWCAType2`` * **parameters**: * ``surfacePosition``: ``real``: Position of the surface along the z-axis :math:`[distance]` * **data**: * ``name``: ``string``: Name of the particle type * ``epsilon``: ``real``: Energy scale of the interaction :math:`[energy]` * ``sigma``: ``real``: Characteristic distance :math:`[distance]` Example: .. code-block:: "surfaceWCA":{ "type":["Surface","SurfaceWCAType1"], "parameters":{ "surfacePosition": 0.0 }, "labels":["name", "epsilon", "sigma"], "data":[ ["A", 1.0, 1.0], ["B", 0.5, 0.8] ] } .. tip:: This potential is particularly useful for simulating non-adsorbing surfaces or creating effective walls in simulations.