Absorbed -------- The Absorbed potential models particles that have been absorbed onto a surface, applying a harmonic restraint to keep them near their absorption point. This is useful for simulating irreversible adsorption or creating stable surface-bound particles. .. math:: U(\mathbf{r}) = \begin{cases} \frac{1}{2}K((x - x_0)^2 + (y - y_0)^2 + (z - z_0)^2) & \text{if particle is absorbed} \\ 0 & \text{otherwise} \end{cases} where: * :math:`K` is the spring constant of the harmonic restraint * :math:`\mathbf{r} = (x, y, z)` is the position of the particle * :math:`\mathbf{r}_0 = (x_0, y_0, z_0)` is the absorption point The Absorbed potential is applied only to particles that were below the `heightThreshold` when the potential was first computed. Note the strategy, playing with the common parameter ``startStep`` we can control the time when the particles are absorbed. For example we can wait for a structure to relax before it is absorbed. ---- * **type**: ``Surface``, ``Absorbed`` * **parameters**: * ``K``: ``real``: Spring constant of the harmonic restraint :math:`[energy/distance^2]` * ``heightThreshold``: ``real``: Height below which particles are considered absorbed :math:`[distance]` Example: .. code-block:: "absorbed":{ "type":["Surface","Absorbed"], "parameters":{ "K": 100.0, "heightThreshold": 1.0 } } .. note:: The Absorbed potential is applied only to particles that were below the `heightThreshold` when the potential was first computed. The absorption points are determined at this time and remain fixed throughout the simulation. .. warning:: This potential determines the absorbed particles only once, when it is first computed. Ensure that your initial configuration is consistent with your intended absorption state. .. tip:: The Absorbed potential can be used to model particles that are irreversibly bound to a surface while still allowing for some movement around their binding point.