Thermodynamic properties of coherent interfaces in f.c.c.-based Ag–Al alloys: a first-principles study

The thermodynamic properties of coherent interphase boundaries (IPBs) between the Al-rich-matrix and Guinier–Preston-zone (GP-zone) precipitate phases in Ag–Al are studied from first principles. The cluster-variation-method (CVM), with effective-cluster-interaction (ECI) parameters derived from the results of ab initio total energy calculations, is used to compute the interfacial free energies (γ) and composition profiles of flat {111} and …