Comment on Surface diffusion near the points corresponding to continuous phase transitions

I. Vattulainen, S.C. Ying, T. Ala-Nissila, J. Merikoski

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Abstract

It is well known that unlike static equilibrium properties, kinetic quantities in Monte Carlo simulations are very sensitive to the details of the algorithm used for the microscopic transition rates. This is particularly true near the critical region where fluctuations are pronounced. We demonstrate that when diffusion of oxygen adatoms near the order–disorder transition of a lattice-gas model of the O/W(110) model system is studied, the transition rates must be chosen carefully. In particular, we show that the choice by Uebing and Zhdanov [J. Chem. Phys. 109, 3197 (1998)] is inappropriate for the study of critical effects in diffusion.

Original article: The Journal of Chemical Physics 109, 3197
Original languageEnglish
Pages (from-to)11232-11233
JournalJournal of Chemical Physics
Volume111
Issue number24
DOIs
Publication statusPublished - 1999
MoE publication typeA1 Journal article-refereed

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