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RESEARCH PRODUCT

Simulation of Reaction-Induced Phase Separation in Surface Alloy

E. E. TornauG. Zvejnieks

subject

Surface (mathematics)Materials scienceMonolayerAlloyengineeringGeneral Physics and AstronomyThermodynamicsKinetic Monte Carloengineering.materialVolumetric flow rateDomain formation

description

Using kinetic Monte Carlo method we simulate the dynamics of biatomic Au0.3Ni0.7 surface alloy separation on Ni(111) due to Ni(CO)4 out-reaction. The experiment of Vestergaard et al. is modeled by counterbalancing dynamical processes and interactions between reactants. The simulations demonstrate step flow rate increase with CO coverage, cCO, in qualitative agreement with the experiment only for cCO <∼ 0.45 monolayer. Moreover, we demonstrate both CO influence on reaction process and Au domain formation.

yearjournalcountryeditionlanguage
2008-03-01Acta Physica Polonica A
https://doi.org/10.12693/aphyspola.113.1099