Does the Embedded Atom Model have predictive power?
National University of Science and Technology "MISIS", Leninskii prosp. 4, Moscow, 119049, Russian Federation
Using examples of potassium, rubidium, aluminum, iron, nickel, and tin models, it is studied how well the properties of the metal are described by the EAM potentials calculated using the shape of the shock adiabats and/or the data of static compression (function of cold pressure). To obtain consistent results, account has to be taken of the contributions of collectivized electrons to energy and pressure, especially in the case of transition metals. Accounting or neglecting electronic contributions has little effect on the calculated melting lines of the models, on the self-diffusion coefficients, and on the viscosity. The shape of the melting line is sensitive to the behavior of the repulsive branch of the pair contribution to the EAM potential at small distances.