Fomin potential
The Fomin potential was firstly introduced as [1] (Eq. 2):
where is the intermolecular pair potential, is the distance between site 1 and site 2, and . is the diameter of the hard core, Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \sigma_s} is the width of the repulsive shoulder, Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon} is the height of the shoulder. As such, this model can be viewed as a softened square shoulder model.
Later it was generalized to the form [2] :
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \Phi_{12}\left( r \right) = \left( \frac{d}{r} \right)^n + \lambda_0 + \sum_{i=1}^{i=i_{max}} \lambda_i \tanh ( k_i (r-\sigma_i ))) }
By varying coefficients Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \lambda_i } one can add repulsive shoulders or attractive wells to the potential.
References
- ↑ 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)
- ↑ Yu. D. Fomin, E. N. Tsiok and V. N. Ryzhov, "Complex phase behavior of the system of particles with smooth potential with repulsive shoulder and attractive well", Journal of Chemical Physics 134 044523 (2011)