Geodesic
Molecular dynamics method for simulation of thermodynamic equilibrium
Matematičeskoe modelirovanie, Tome 22 (2010) no. 11, pp. 39-48.

Voir la notice de l'article provenant de la source Math-Net.Ru

In this article we consider the application of molecular dynamics method for a system of argon atoms. An original molecular dynamics program, calculating the characteristics of gases on the basis of the Lennard-Jones potential, is developed. Conservative system in the process of calculation is ensured by optimizing the value of the time step. The process of establishing the equilibrium distribution of atoms in velocity is investigated.
Keywords: molecular dynamics, Lennard-Jones, argon, temperature. 
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V. O. Podryga. Molecular dynamics method for simulation of thermodynamic equilibrium. Matematičeskoe modelirovanie, Tome 22 (2010) no. 11, pp. 39-48. http://geodesic.mathdoc.fr/item/MM_2010_22_11_a3/

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