Dynamic Monte Carlo simulation in mixtures.
The dynamic Monte Carlo technique is a widely used simulation tool but the parameters of the calculation have to be tuned to reflect the same dynamics as the corresponding molecular dynamics simulation. As the direct calibration of the dynamic Monte Carlo with molecular dynamics is a laborious task, we propose a new method that allows the standard dynamic Monte Carlo to realize the correct time proportionality in many-component systems without the need of corresponding molecular dynamics calculation. The method has been tested in various systems and the dynamic Monte Carlo results obtained by the proposed method were found to be in good agreement with the results of the control molecular dynamics simulations.
Department of Physical Chemistry, Institute of Chemistry, University of Pannonia, P.O. Box 158, H-8201 Veszprém, Hungary.
Gábor
G
Rutkai
Tamás
T
Kristóf