Papers by Author: Maylise Nastar

Abstract: A Self-Consistent Mean Field (SCMF) kinetic theory including an explicit description ofthe vacancy diffusion mechanism is developed. The present theory goes beyond the usual local equi-librium hypothesis. It is applied to the study of the early time spinodal decomposition in alloys. Theresulting analytical expression of the structure function highlights the contribution of the vacancydiffusion mechanism. Instead of the single amplification rate of the Cahn-Hillard linear theory, thelinearized SCMF kinetic equations involve three constant rates, first one describing the vacancy re-laxation kinetics, second one related to the kinetic coupling between local concentrations and paircorrelations and the third one representing the spinodal amplification rate. Starting from the same va-cancy diffusion model, we perform kineticMonte Carlo simulations of a Body Centered Cubic (BCC)demixting alloy. The resulting spherically averaged structure function is compared to the SCMF pre-dictions. Both qualitative and quantitative agreements are satisfying.

Abstract: The decomposition of Fe-Cr solid solutions during thermal aging is modeled by Atomistic Kinetic Monte Carlo (AKMC) simulations, using a rigid lattice approximation with composition dependant pair interactions that can reproduce the change of sign of the mixing energy with the alloy composition. The interactions are fitted on ab initio mixing energies and on the experimental phase diagram, as well as on the migration barriers in iron and chromium rich phases. Simulated kinetics is compared with 3D atom probe and neutron scattering experiments.

Abstract: To get a better understanding of oxidation behavior of Ni-base alloys in PWR primary water, a numerical model for oxide scale growth has been developed. The final aim of the model is to estimate the effects of possible changes of experimental conditions. Hence, our model has not been restricted by the classical hypothesis of quasi-steady state and can consider transient stages. The model calculates the chemical species concentration profiles, but also the vacancy concentration profiles evolution in the oxide and in the metal as a function of time. It treats the elimination of the possible supersaturated vacancies formed at the metal/oxide interface by introducing a dislocation density at the interface and in the metal bulk. This latter density can be related to the cold-working state. Its effect on the vacancy profile evolution is studied in the case of a pure metal. Eventually an extension of the present model to the oxidation of Ni-base alloys is discussed regarding a recent vacancy diffusion model adjusted on Ni-base alloys.