Coeficientes de difusión de fluidos de Yukawa y aplicación a fullerenos

Authors

  • A. Onofre-Hernández
  • M. González-Melchor
  • J.F. Rivas-Silva

Keywords:

Yukawa, molecular dynamics, diffusion coefficient, fullerenes

Abstract

Computer molecular dynamics simulations are performed to study dynamic properties of Yukawa fluids. The equations of motion are integrated by using the velocity Verlet algorithm. The diffusion coefficients are obtained through the mean square displacement and the velocity autocorrelation function. We applied this methodology to study the diffusion of C$_{60}$ and C$_{70}$ fullerenes, for which the attractive Yukawa potential has shown to be useful in reproducing the liquid-vapor coexistence curve.

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Published

2010-01-01

How to Cite

[1]
A. Onofre-Hernández, M. González-Melchor, and J. Rivas-Silva, “Coeficientes de difusión de fluidos de Yukawa y aplicación a fullerenos”, Rev. Mex. Fís., vol. 56, no. 5, pp. 416–0, Jan. 2010.