N-6 Lennard-Jones potential

2011-10-12T14:00:17Z

193.137.168.234: Changed the 12 subindex to n

The '''n-6 Lennard-Jones potential''' is a variant the more well known [[Lennard-Jones model]] (or from a different point of view, a particular case of the [[Mie potential]]).. The potential is given by <ref>[http://dx.doi.org/10.1063/1.3253686 Alauddin Ahmed and Richard J. Sadus "Solid-liquid equilibria and triple points of n-6 Lennard-Jones fluids", Journal of Chemical Physics '''131''' 174504 (2009)]</ref>:

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

where
* <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math>
* <math> \Phi_{n}(r) </math> is the [[intermolecular pair potential]] between two particles or ''sites''
* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{n}(r)=0</math>
* <math> \epsilon </math> is the well depth (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>.
==References==
<references/>
;Related reading
*[http://dx.doi.org/10.1063/1.3627148 Zane Shi, Pablo G. Debenedetti, Frank H. Stillinger, and Paul Ginart "Structure, dynamics, and thermodynamics of a family of potentials with tunable softness", Journal of Chemical Physics '''135''' 084513 (2011)]
[[category: models]]

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N-6 Lennard-Jones potential