6533b871fe1ef96bd12d1193

RESEARCH PRODUCT

Parallelization of Cellular Automata for Surface Reactions

R. SalazarA. P. J. JansenV. N. Kuzovkov

subject

Condensed Matter - Materials ScienceCellular Automata and Lattice Gases (nlin.CG)Materials Science (cond-mat.mtrl-sci)FOS: Physical sciencesPattern Formation and Solitons (nlin.PS)Computational Physics (physics.comp-ph)Nonlinear Sciences - Cellular Automata and Lattice GasesNonlinear Sciences - Pattern Formation and SolitonsPhysics - Computational Physics

description

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.

https://dx.doi.org/10.48550/arxiv.nlin/0207059