From atomistic lattice-gas models for surface reactions to hydrodynamic reaction-diffusion equations
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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
Atomistic lattice-gas models for surface reactions can accurately describe spatial correlations and ordering in chemisorbed layers due to adspecies interactions or due to limited mobility of some adspecies. The primary challenge in such modeling is to describe spatiotemporal behavior in the physically relevant “hydrodynamic” regime of rapid diffusion of (at least some) reactant adspecies. For such models, we discuss the development of exact reaction-diffusion equations (RDEs) describing mesoscale spatialpattern formation in surface reactions. Formulation and implementation of these RDEs requires detailed analysis of chemical diffusion in mixed reactant adlayers, as well as development of novel hybrid and parallel simulation techniques.
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The following article appeared in Chaos 12, 1 (2002): 131, and may be found at doi:10.1063/1.1450566.