| Numéro |
J. Phys. Colloques
Volume 49, Numéro C5, Octobre 1988
Interface Science and Engineering '87An International Conference on the Structure and Properties of Internal Interfaces |
|
|---|---|---|
| Page(s) | C5-483 - C5-495 | |
| DOI | https://doi.org/10.1051/jphyscol:1988560 | |
Interface Science and Engineering '87
An International Conference on the Structure and Properties of Internal Interfaces
J. Phys. Colloques 49 (1988) C5-483-C5-495
DOI: 10.1051/jphyscol:1988560
Theoretical Division, Sandia National Laboratories, Livermore, CA 94550, U.S.A.
An International Conference on the Structure and Properties of Internal Interfaces
J. Phys. Colloques 49 (1988) C5-483-C5-495
DOI: 10.1051/jphyscol:1988560
APPLICATION OF THE EMBEDDED ATOM METHOD TO THE FRACTURE OF INTERFACES
M.I. BASKES, S.M. FOILES et M.S. DAWTheoretical Division, Sandia National Laboratories, Livermore, CA 94550, U.S.A.
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.