Simulation of traveling interface pulses in bistable surface reactions

Phys Rev E. 2019 Oct;100(4-1):042206. doi: 10.1103/PhysRevE.100.042206.

Abstract

A couple of bistable oxidation reactions on Rh(110), the CH_{3}OH+O_{2} and the NH_{3}+O_{2} reactions, exhibit localized excitations at the interface between oxygen-poor and oxygen-rich phase that propagate in a pulselike manner along the interface. A three-variable reaction-diffusion model is set up based on a mechanism that explains the localized excitations as being caused by temporary structural defects generated in the vicinity of the interface. The structural defects are a consequence of different densities of surface atoms in the oxygen-induced reconstruction phases and in the nonreconstructed (1×1) phase. One- and two-dimensional simulations show that traveling interface pulses (TIPs) exist in a region of so-called double metastability adjacent to the equistability point of the bistable system. As in the experiment, we observe triangular-shaped TIPs that move fast along the interface. Diffusional anisotropy is not required for the occurrence of TIPs. All essential features of the experiment are reproduced by the simulations.