Eam calculation of formation enthalpies of Al, Li and Mg(Ti) intermetallic compounds

The model parameters of the general analytic embedded-atom method (EAM) for Al, Li, Mg and Ti have been determined by fitting the lattice constant, the mono-vacancy formation energy, the cohesive energy and the bulk elastic modulus of pure element. The parameters of the pair-potential between two different elements have been determined by fitting to experimental data or results calculated with first principles. The enthalpies of formation of intermetallic compounds for binary and ternary systems composed of Al, Li, Mg(Ti) have been calculated. The calculated results are in agreement with the experiments and the ab initio results or other EAM results.