Interface properties and microstructural stabilization in elastically inhomogeneous multiphase systems.
Using a two-dimensional multiscale model based on the classical time-dependent density-functional theory for lattice systems we recently introduced, we numerically study the impact of elastic inhomogeneities on the growth of isolated inclusions in multiphase alloys. We demonstrate that the coupling between the overall interface structure (as determined by the shape of the inclusions) and the local, atomic-scale structure can be very large, and is able to significantly affect the behavior of inclusions during growth. Elasticity is shown to have a strong influence on the local energetics at interfaces, leading to shape modulations and kinetic faceting. Morphological and energetic changes induce oscillations in the chemical potential of the inclusions, opening the way to the stabilization of multi-inclusion microstructures, consistent with experiment. We demonstrate that the interface elastic misfit is a key parameter for controlling the strength of elastic effects.
Perez
Danny
D
Département de Physique et Regroupement Québécois sur les Matériaux de Pointe (RQMP), Université de Montréal, C.P. 6128, Succursale Centre-Ville, Montréal, Québec, Canada H3C 3J7.
Lewis
Laurent J
LJ