Abstract
Segregation is studied at the (001) and (310) surfaces, as well as for the $\ensuremath{\Sigma}=5$ (310) [001] tilt grain boundary (GB), in the Cu(Ag) system. Based on an effective Ising model with energetic parameters obtained from an N-body interatomic potential, we compare the segregation driving forces for the three interfaces in this system, which presents a strong tendency toward phase separation in the bulk. Within mean-field theory, we derive segregation isotherms, and we find an essential difference between the flat (001) surface and the open (310) surface. For the first one, the isotherm is characterized by a succession of monolayer phase transitions, whereas the isotherm of the (310) surface exhibits a multilayer phase transition, all these transitions occurring well within the domain of the Cu(Ag) solid solution. The segregation isotherm for the (310) [001] tilt grain boundary is similar to the (310) surface one, with the presence of a multilayer phase transition too. The behavior of the GB plane itself is rather intricate, a multireentrant phase transition being predicted. A ground-state analysis and a simple bilayer model allows us to detail the conditions for the existence of an interfacial multilayer phase transition, as a function of both the energetic and crystallographic parameters and the temperature.
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