Ordering of Bimetallic Nanoalloys Predicted from Bulk Alloy Phase Diagrams

The Metropolis Monte Carlo method is used to demonstrate the relationship between the bulk phase diagram of alloys with limited miscibility and the equilibrium configurations of nanoparticles. Using the Au-Pt system as a case study, an embedded atom potential is parametrized so as to match the phase diagram exactly. The smooth temperature dependence of the short-range order parameter is shown correlated with an onion-like configuration intermediate between solid solution and phase separated states.