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Dynamic Monte Carlo versus Brownian dynamics: A comparison for self-diffusion and crystallization in colloidal fluids

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Original languageEnglish
Article number194102
Pages (from-to)-
Number of pages7
JournalThe Journal of Chemical Physics
Volume132
Issue number19
DOIs
StatePublished - 21 May 2010

Abstract

Here we present a comparative study of dynamic Monte Carlo and Brownian dynamics simulations of colloidal systems with repulsive interactions. We show that if the Monte Carlo time is rescaled with the acceptance probability, the estimates of the self-diffusion coefficient and of the crystallization times are, respectively, in good and fair agreement with the Brownian dynamics simulations. We also analyze the case of a particle in a one-dimensional potential, where we show that the convergence of a Monte Carlo procedure to the Brownian dynamics result is faster when time is rescaled by the acceptance probability, which gives a theoretical basis for this practical recipe. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3414827]

    Research areas

  • HARD-SPHERE SUSPENSIONS, SIMULATIONS

ID: 1452394