Molecular dynamics and thermodynamic simulations of segregation phenomena in binary Au-Ag nanoparticles
A complex approach combining atomistic molecular dynamics (MD) and thermodynamic simulations was applied to predict segregation in binary Au-Ag nanoparticles consisting read more of 2000 atoms (of about 4 nm in size).Both approaches predict the surface segregation of Ag to the surface of Au-Ag nanoalloys.Besides, Au-Ag nanoparticles demonstrated an