A combination of atomic and continuum models describing the evolution of nanoclusters

Abstract

Ion beam synthesis is a promising technique to form nanoclusters. However, the synthesis of an ensemble of nanoclusters having a specific size and depth distribution requires a comprehensive understanding of the physical processes. We present two models, a discrete and a continuous one, where each is suited to study special stages of ion implantation and annealing. On the atomic scale our kinetic 3D lattice Monte-Carlo (MC) model is used to study nucleation and growth of nanoclusters. On the mesoscopic scale, rate-equations are used to describe their coarsening. By a combination of both methods the use of data from the MC simulation provides for the first time realistic initial conditions for the rate-equation approach to Ostwald ripening. As an application, the combined atomic-scale and continuum simulation tools are used to study the evolution and self-organization of nanoclusters. Copyright © 1998 Elsevier Science B.V.