Abstract
Nanoscale self-assembly dynamics of submonolayer bimetallic films was studied through simulation of a coarse-grained mesoscopic model. Simulations predict a phase transition sequence (hexagonal→stripe→inverse hexagonal) consistent with experimental observations of Pb/Cu(111) heteroepitaxial growth. Post-transition ordering dynamics of hexagonal and inverse hexagonal patterns was simulated and quantified in order to predict pattern quality and evolution mechanisms. Correlation length scaling laws and nanoscale evolution mechanisms were predicted through simulation of experimentally relevant length (≈1 μm(2)) and time scales, with findings supporting evidence of universal pattern behavior with other hexagonal systems. Results provide detailed dynamics and structure of this novel self-assembly process applicable to the design and optimization of functional bimetallic materials, such as bimetallic catalysts.
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