Coeficientes de difusión de fluidos de Yukawa y aplicación a fullerenos
Keywords:
Yukawa, molecular dynamics, diffusion coefficient, fullerenesAbstract
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.Downloads
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Authors retain copyright and grant the Revista Mexicana de Física right of first publication with the work simultaneously licensed under a CC BY-NC-ND 4.0 that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.