A General Embedded Atom Method and Application to Prediction for Thermodynamic Properties of Fe-Eu System
An analytic embedded-atom potentials was developed. It was applied to calculating mono-vacancy formation energy, divacancy binding energy, elastic constants, energy difference of different structures, the surface energy, and the phonon spectra of iron and europium. The formation enthalpies of Fe-Eu binary alloy were also calculated. The calculated physical properties are in agreement with the experiments available or other theoretical results. The formation enthalpies are in good agreement with the results obtained by Miedema’s theory.
Masaaki Naka and Toshimi Yamane
Y. F. Ouyang et al., "A General Embedded Atom Method and Application to Prediction for Thermodynamic Properties of Fe-Eu System ", Materials Science Forum, Vol. 502, pp. 57-62, 2005