Lennard-Jones model: Difference between revisions

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where:
where:


* <math> V(r) </math> : Potential energy of interaction betweeen two particles at a distance r;  
* <math> V(r) </math> : potential energy of interaction between two particles at a distance r;  


* <math> \sigma </math> : diameter (length);
* <math> \sigma </math> : diameter (length);
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Reduced units:  
Reduced units:  


* Density, <math> \rho^* \equiv \rho \sigma^3 </math>, where <math> \rho = N/V </math> (Number of particles <math> N </math> divided by the volume <math> V </math>.)
* Density, <math> \rho^* \equiv \rho \sigma^3 </math>, where <math> \rho = N/V </math> (number of particles <math> N </math> divided by the volume <math> V </math>.)


* Temperature; <math> T^* \equiv k_B T/\epsilon </math>, where <math> T </math>  is the absolute temperature and <math> k_B </math> is the [[Boltzmann constant]]
* Temperature; <math> T^* \equiv k_B T/\epsilon </math>, where <math> T </math>  is the absolute temperature and <math> k_B </math> is the [[Boltzmann constant]]

Revision as of 14:10, 27 February 2007

The Lennard-Jones potential is given by

V(r)=4ϵ[(σr)12−(σr)6]

where:

  • V(r) : potential energy of interaction between two particles at a distance r;
  • σ : diameter (length);
  • ϵ : well depth (energy)

Reduced units:

  • Density, ρ*≡ρσ3, where ρ=N/V (number of particles N divided by the volume V.)
  • Temperature; T*≡kBT/ϵ, where T is the absolute temperature and kB is the Boltzmann constant

References

  1. J. E. Lennard-Jones "Cohesion", Proc. Phys. Soc. Lond. 43 pp. 461- (1931)