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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.

DOI: 10.3367/UFNe.2020.01.038761
Citation: Belashchenko D K "Does the Embedded Atom Model have predictive power?" Phys. Usp., accepted

Received: 1st, November 2019, revised: 19th, January 2020, 23rd, January 2020

Оригинал: Белащенко Д К «Имеет ли модель погруженного атома предсказательную силу?» УФН, принята к публикации; DOI: 10.3367/UFNr.2020.01.038761

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