Exp-6 potential

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

$\Phi _{12}(r)={\frac {\epsilon }{1-6/\alpha }}\left[\left({\frac {6}{\alpha }}\right)\exp \left[\alpha \left(1-{\frac {r}{\sigma }}\right)\right]-\left({\frac {\sigma }{r}}\right)^{6}\right]$

where

• $r:=|\mathbf {r} _{1}-\mathbf {r} _{2}|$
• $\Phi _{12}(r)$ is the intermolecular pair potential between two particles or sites
• $\sigma$ is the value of $r$ at which $\Phi _{12}(r)=0$
• $\epsilon$ is the well depth (energy)
• $\alpha$ is the "steepness" of the repulsive energy

Melting point

An approximate method to locate the melting point is given in . See also .

See also

• Buckingham potential
• Lennard-Jones model

References

Related reading

• Marvin Ross and Berni Alder "Shock Compression of Argon. II. Nonadditive Repulsive Potential", Journal of Chemical Physics 46 pp. 4203-4210 (1967)
• Marvin Ross and F. H. Ree "Repulsive forces of simple molecules and mixtures at high density and temperature", Journal of Chemical Physics 73 pp. 6146-6152 (1980)
• Teik-Cheng Lim "Scaling Function Between the Exponential-6 and the Generalized Lennard-Jones Potential Functions", Journal of Mathematical Chemistry 33 pp. 279-285 (2003)