Fomin potential: Difference between revisions

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(New page: The '''Fomin potential''' is given by <ref>[http://dx.doi.org/10.1063/1.2965880 Yu. D. Fomin, N. V. Gribova, V. N. Ryzhov, S. M. Stishov, and Daan Frenkel "Quasibinary amorphous phase in a...)
 
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The '''Fomin potential''' is given by <ref>[http://dx.doi.org/10.1063/1.2965880 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)]</ref> (Eq. 2):
The '''Fomin potential''' was firstly introduced as <ref>[http://dx.doi.org/10.1063/1.2965880 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)]</ref> (Eq. 2):


:<math>
:<math>
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where <math> \Phi_{12}\left( r \right) </math> is the [[intermolecular pair potential]], <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math> is the distance between site 1 and site 2, <math>n=14</math> and <math>k_0=10</math>. <math>d</math> is the diameter of the hard core, <math>\sigma_s</math> is the width of the repulsive shoulder, <math>\epsilon</math> is the height of the shoulder. As such, this model can be viewed as a softened [[square shoulder model]].
where <math> \Phi_{12}\left( r \right) </math> is the [[intermolecular pair potential]], <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math> is the distance between site 1 and site 2, <math>n=14</math> and <math>k_0=10</math>. <math>d</math> is the diameter of the hard core, <math>\sigma_s</math> is the width of the repulsive shoulder, <math>\epsilon</math> 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 <ref>[http://dx.doi.org/10.1063/1.3530790 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)]</ref> :
:<math>
\Phi_{12}\left( r \right) = \left( \frac{d}{r} \right)^n + \lambda_0  \sum_{i=1}^{i=imax} \lambda_i \tanh ( k_i (r-\sigma_i )))
</math>
By varying coefficients  <math> \lambda_i </math> one can add repulsive shoulders or attractive wells to the potential.
==References==
==References==
<references/>
<references/>
[[category: models]]
[[category: models]]

Revision as of 12:25, 24 January 2014

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, is the width of the repulsive shoulder, 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] :

By varying coefficients one can add repulsive shoulders or attractive wells to the potential.

References