Exp-6 potential: Difference between revisions

Revision as of 10:50, 8 February 2011

The exp-6 potential is given by (Eq. 1 in ^[1]):

Φ_{12} (r) = \frac{ϵ}{1 - 6 / α} [(\frac{6}{α}) \exp [α \frac{1 - r}{σ}] - {(\frac{σ}{r})}^{6}]

where

$r : = | r_{1} - r_{2} |$
$Φ_{12} (r)$ is the intermolecular pair potential between two particles or sites
$σ$ is the value of $r$ at which $Φ_{12} (r) = 0$
$ϵ$ is the well depth (energy)
$α$ is the "steepness" of the repulsive energy

An approximate method to locate the melting point is given in ^[2].

Related reading

@@ Line 9: / Line 9: @@
 * <math> \sigma </math> is the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math>
 * <math> \epsilon </math> is the well depth (energy)
 * <math>\alpha</math> is the "steepness" of the repulsive energy
+==Melting point==
+An approximate method to locate the melting point is given in <ref>[http://dx.doi.org/10.1063/1.3552948  Sergey A. Khrapak, Manis Chaudhuri, and Gregor E. Morfill "Freezing of Lennard-Jones-type fluids", Journal of Chemical Physics '''134''' 054120 (2011)]</ref>.
 ==See also==
 *[[Buckingham potential]]