n-6 Lennard-Jones potential

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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 [1]:

 \Phi_{12}(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]

where

  • r := |\mathbf{r}_1 - \mathbf{r}_2|
  •  \Phi_{12}(r) is the intermolecular pair potential between two particles, "1" and "2".
  •  \sigma is the diameter (length), i.e. the value of r at which  \Phi_{12}(r)=0
  •  \epsilon is the well depth (energy)

Melting point[edit]

An approximate method to locate the melting point is given in [2]. See also [3].

Shear viscosity[edit]

[4]

References[edit]

Related reading