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 optimization technique. Parameters for Cu, Ag, Au, Al, Ni, Pd, 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. We also find that the predicted total energy as a function of lattice parameter is in good agreement with the equation of state of Rose et al.
Volume Subject Area:Computer Applications/Technology and Bolted Joints
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