Fluctuations and bistability in a "hybrid" atomistic model for CO oxidation on nanofacets: An effective potential analysis
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Ames National Laboratory is a government-owned, contractor-operated national laboratory of the U.S. Department of Energy (DOE), operated by and located on the campus of Iowa State University in Ames, Iowa.
For more than 70 years, the Ames National Laboratory has successfully partnered with Iowa State University, and is unique among the 17 DOE laboratories in that it is physically located on the campus of a major research university. Many of the scientists and administrators at the Laboratory also hold faculty positions at the University and the Laboratory has access to both undergraduate and graduate student talent.
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Abstract
An analysis on the existence of bistability in the hybrid reaction model for CO oxidation in finite systems is demonstrated. As such, numerical evidence to indicate the existence of an effective potential characterizing this behavior is provided. This potential is determined by exact kinetic Monte Carlo (KMC) simulation analysis, but reasonable estimate available from approximate master equations, and from Fokker-Planck equations which are obtained from further approximation of the master equations.
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The following article appeared in Journal of Chemical Physics 117, 15 (2002): 7319 and may be found at doi:10.1063/1.1507105.