Alloys 4 Computer simulation 4 Embedded atom method Ab initio density functional calculations 2 Approximation theory 2 Cluster variation methods 2 Computer software 2 Crystal atomic structure 2 Crystal lattices 2 Degrees of freedom (mechanics) 2 Elastic constants 2 Electronic density of states 2 Free energy 2 Hamiltonians 2 Harmonic analysis 2 Lattice dynamics 2 Metals 2 Molecular dynamics 2 Monte Carlo methods 2 Palladium 2 Phase diagrams 2 Probability density function 2 Quasi harmonic lattice dynamics 2 Rhodium 2 Semigrand-canonical ensemble simulation 2 Simulations 2 Structural distortion 2 Surface 2 Surface energy 2 Thermal effects 2