Comment on Surface diffusion near the points corresponding to continuous phase transitions
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© 1999 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. http://scitation.aip.org/content/aip/journal/jcp
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
1999
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Mcode
Degree programme
Language
en
Pages
11232-11233
Series
The Journal of Chemical Physics, Volume 111, Issue 24
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.Description
Keywords
diffusion, Monte Carlo methods, quantum phase transitions, static properties
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Citation
Vattulainen, I. & Ying, S. C. & Ala-Nissilä, Tapio & Merikoski, J. 1999. Comment on Surface diffusion near the points corresponding to continuous phase transitions. The Journal of Chemical Physics. Volume 111, Issue 24. P. 11232-11233. ISSN 1089-7690 (electronic). ISSN 0021-9606 (printed). DOI: 10.1063/1.480479.