Abstract
The Ag/Ni system is chosen as a model system for metal/metal interfaces with a large lattice mismatch. This system is well suited for both experimental and theoretical studies, and Ag/Ni boundaries are among the best studied metal/metal heterophase interfaces. Simple embedded atom method (EAM) potentials have been shown to successfully predict boundary structures of Ag/Ni interfaces. In this paper, EAM potentials are used in a Monte Carlo (MC) scheme to study the equilibrium structures of various experimentally observed low-energy boundaries. The importance of faceting on the atomic scale is demonstrated for parallel oriented (cube-on-cube) interfaces as well as for misoriented interfaces like the (100) twist boundaries with twist angles 0‡ < θ < 10‡.
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Gumbsch, P. The accommodation of lattice mismatch in Ag/Ni heterophase boundaries. JPE 18, 556 (1997). https://doi.org/10.1007/BF02665811
DOI: https://doi.org/10.1007/BF02665811