Fomin potential

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The Fomin potential is given by [1] (Eq. 2):

\[ \Phi_{12}\left( r \right) = \left( \frac{d}{r} \right)^n + \frac{\epsilon}{2} (1 - \tanh ( k_0 (r-\sigma_s ))) \]

where \( \Phi_{12}\left( r \right) \) is the intermolecular pair potential, \(r := |\mathbf{r}_1 - \mathbf{r}_2|\) is the distance between site 1 and site 2, \(n=14\) and \(k_0=10\). \(d\) is the diameter of the hard core, \(\sigma_s\) is the width of the repulsive shoulder, \(\epsilon\) is the height of the shoulder. As such, this model can be viewed as a softened square shoulder model.

[edit] References

  1. Yu. D. Fomin, N. V. Gribova, V. N. Ryzhov, S. M. Stishov, and Daan Frenkel "Quasibinary amorphous phase in a three-dimensional system of particles with repulsive-shoulder interactions", Journal of Chemical Physics 129 064512 (2008)
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