Simple analytic embedded atom potential for FCC materials
by Young Ho Park; Iyad A. Hijazi
International Journal of Microstructure and Materials Properties (IJMMP), Vol. 6, No. 5, 2011

Abstract: A simple empirical embedded-atom potential that includes a long range force is developed for FCC metals. The potential parameters of this model are determined by fitting lattice constant, three elastic constants, cohesive energy, and vacancy formation energy using an optimisation technique (Arora, 2007). Parameters for Cu, Ag, Au, Al, Ni, Pd and Pt have been obtained. The obtained parameters are used to calculate bulk modulus, divacancy formation energy, and melting point. The predicted values are in good agreement with experimental results. The predicted total energy as a function of lattice parameter is also in good agreement with the equation of state of Rose et al.

Online publication date: Wed, 09-Nov-2011

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