6533b853fe1ef96bd12acd09
RESEARCH PRODUCT
Comment on “Surface diffusion near the points corresponding to continuous phase transitions” [J. Chem. Phys. 109, 3197 (1998)]
Tapio Ala-nissilaJuha MerikoskiS. C. YingIlpo Vattulainensubject
Surface diffusionMechanical equilibriumContinuous phase modulationCondensed matter physicsW(110)ChemistryMonte Carlo methodGeneral Physics and AstronomyThermodynamicsBoundary (topology)ComputingMilieux_LEGALASPECTSOFCOMPUTINGKinetic energyNON-ARRHENIUS BEHAVIOROXYGENlaw.inventionMODELBOUNDARYlawPhysical and Theoretical ChemistryDiffusion (business)Phase diagramdescription
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.
year | journal | country | edition | language |
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1999-12-22 | The Journal of Chemical Physics |