0000000001256650
AUTHOR
A. P. J. Jansen
A new synchronization mechanism via Turing-like microscopic structures for CO oxidation on Pt(110)
We discuss an alternative to the traditional gas-phase coupling approach in order to explain synchronized global oscillations in CO oxidation on Pt(110). We use a minimalist microscopic model which includes structural Pt surface reconstruction via front propagation, and large diffusion rates for CO. The synchronization mechanism is associated with the formation of a Turing-like structure of the substrate. By using large parallel microscopic simulations we derive a scaling laws which allow us to extrapolate to realistic diffusion rates, pattern size, and oscillation periods.
Parallelization of Cellular Automata for Surface Reactions
We present a parallel implementation of cellular automata to simulate chemical reactions on surfaces. The scaling of the computer time with the number of processors for this parallel implementation is quite close to the ideal T/P, where T is the computer time used for one single processor and P the number of processors. Two examples are presented to test the algorithm, the simple A+B->0 model and a realistic model for CO oxidation on Pt(110). By using large parallel simulations, it is possible to derive scaling laws which allow us to extrapolate to even larger system sizes and faster diffusion coefficients allowing us to make direct comparisons with experiments.