ATOMISTIC MODELING OF KINETICS IN INTERMETALLICS

Phenomenological treatments have been widely used for modeling diffusi on-controlled phenomena. There are however cases where such treatments are difficult to handle, either because they require unknown paramete rs (like transfert coefficients across an interface) or because of the complexity of the dynamics (e.g. displacement cascades in a concentra ted alloy under irradiation). An alternative modeling procedure is pro vided by atomistic simulations. After a brief review of the latter, we will illustrate their application through two problems: the segregati on induced by irradiation at sinks in concentrated alloys and the roug hening of interfaces in an alloy under plastic deformation or under ir radiation.