Exp-6 potential: Difference between revisions

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* <math> \sigma </math> is the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math>
* <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> \epsilon </math> is the well depth (energy)
* <math>\alpha</math> is the "steepness" of the repulsive 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==
==See also==
*[[Buckingham potential]]
*[[Buckingham potential]]

Revision as of 11:50, 8 February 2011

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

where

  • is the intermolecular pair potential between two particles or sites
  • is the value of at which
  • is the well depth (energy)
  • is the "steepness" of the repulsive energy

Melting point

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

See also

References

Related reading