Monte Carlo simulation of phase separation behavior in a Cu-Co alloy nanoparticle

Abstract

The phase separation behavior in a Cu-Co nanoparticle was investigated using Monte Carlo (MC) simulation. The modified embedded atom method (MEAM) was adopted to describe the interatomic potentials for the Cu-Co alloy system. Some of the cross potential parameters were fitted with experimental data such as mixing enthalpy and lattice constants of Cu-Co alloys. The present MC simulation combined with the MEAM potential describes well the phase separation between face-centered-cubic (fee) Cu and fcc Co during the annealing of the particle.