APPLICATION OF THE EMBEDDED ATOM METHOD TO THE FRACTURE OF INTERFACES

Abstract
A modern theory of metallic bonding, the Embedded Atom Method (EAM) provides a simple but accurate method of evaluating the energy and forces in a cluster of atoms. As an example of the utility of the EAM, surface segregation in Ni-Cu alloys and reconstruction of fcc(110) surfaces will be predicted and compared to experiment. Using energetics from the EAM and a Monte Carlo procedure, the structure and cohesive energy of grain boundaries in nickel and Ni3Al are predicted. The brittle fracture strength of these boundaries at room temperature is determined using molecular dynamics calculations