The evolution of the primary damage in FeCu alloys was investigated using kinetic Monte Carlo simulations based upon a vacancy diffusion mechanism. The calculations rely on adapted, phenomenological, n-body potentials that satisfactorily reproduce properties of FeCu. At room temperature, experimentally identified defects such as Cu-vacancy complexes (one Cu atom bound to three or four vacancies) form in the course of the simulations. Furthermore, it appears that complex defects such as a Cu atom linked to two vacancies were very mobile and were responsible for the formation of small Cu clusters.

Kinetic Monte Carlo Simulations of FeCu Alloys. C.Domain, C.S.Becquart, J.C.Van Duysen: Materials Research Society Symposium – Proceedings, 1999, 538, 217-22. See also: Materials Research Society Symposium – Proceedings, 1999, 540, 643-8