Exp-6 potential: Difference between revisions

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:<math> \Phi_{12}(r) =  \frac{\epsilon}{1-6/\alpha} \left[  \left( \frac{6}{\alpha} \right)  
:<math> \Phi_{12}(r) =  \frac{\epsilon}{1-6/\alpha} \left[  \left( \frac{6}{\alpha} \right)  
\exp \left[ \alpha \frac{1-r}{\sigma} \right]  - \left( \frac{\sigma}{r}\right)^6 \right] </math>
\exp \left[ \alpha \left( 1-\frac{r}{\sigma} \right) \right]  - \left( \frac{\sigma}{r}\right)^6 \right] </math>


where
where

Revision as of 16:31, 13 April 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