A new extension of the self-consistent mean field (SCMF) theory is developed to describe diffusion in dilute alloys, special attention being paid to the problem of self-diffusion in presence of solute atoms. We start from a microscopic model of the atom-vacancy exchange frequency including nearest neighbour interactions and derive kinetic equations from a Master equation. The non-equilibrium distribution function is expressed trough time dependent effective interactions. Their range of interaction is controlling the level of description of the paths of a vacancy after a first exchange. In contrast to the previous diffusion models devoted to concentrated alloys, the present formulation makes appear into the final result several exchange frequencies associated to a given atom depending on the chemical species of the atoms nearby. A first approximation restricted to nearest neighbour effective interactions yields analytical expressions of the transport coefficients of a face centered cubic dilute binary alloy.
One usual way to strengthen a metal is to add alloying elements and to control the size and the density of the precipitates obtained. However, precipitation in multicomponent alloys can take complex pathways depending on the relative diffusivity of solute atoms and on the relative driving forces involved. In Al-Zr-Sc alloys, atomic simulations based on first-principle calculations combined with various complementary experimental approaches working at different scales reveal a strongly inhomogeneous structure of the precipitates: owing to the much faster diffusivity of Sc compared with Zr in the solid solution, and to the absence of Zr and Sc diffusion inside the precipitates, the precipitate core is mostly Sc-rich, whereas the external shell is Zr-rich. This explains previous observations of an enhanced nucleation rate in Al-Zr-Sc alloys compared with binary Al-Sc alloys, along with much higher resistance to Ostwald ripening, two features of the utmost importance in the field of light high-strength materials.
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