Nucleation of Al3Zr and Al3Sc in aluminum alloys: from kinetic Monte Carlo simulations to classical theory
نویسندگان
چکیده
HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L’archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d’enseignement et de recherche français ou étrangers, des laboratoires publics ou privés. Nucleation of Al3Zr and Al3Sc in aluminum alloys: from kinetic Monte Carlo simulations to classical theory Emmanuel Clouet, Maylise Nastar, Christophe Sigli
منابع مشابه
Precipitation kinetics of Al3Zr and Al3Sc in aluminum alloys modeled with cluster dynamics
Precipitation kinetics of Al3Zr and Al3Sc in aluminum supersaturated solid solutions is studied using cluster dynamics, a mesoscopic modeling technique which describes the various stages of homogeneous precipitation by a single set of rate equations. The only parameters needed are the interface free energy and the diffusion coefficient which are deduced from an atomic model previously developed...
متن کاملAl(f.c.c.):Al3Sc(L12) INTERPHASE BOUNDARY ENERGY CALCULATIONS
ÐThese calculations assess the applicability of classical nucleation theory to the reaction f.c.c.4 L12 occurring in dilute Al±Sc alloys. The orientation and temperature dependence of the energies of coherent Al(f.c.c.):Al3Sc(L12) interphase boundaries were studied using atomistic simulation and a low temperature expansion (LTE) of the grand potential. Embedded atom method potentials were devel...
متن کاملPrecipitation in Al-Zr-Sc alloys: a comparison between kinetic Monte Carlo, cluster dynamics and classical nucleation theory
Zr and Sc precipitate in aluminum alloys to form the Al3ZrxSc1−x compound which, for low supersaturations of the solid solution, exhibits the L12 structure. The aim of the present study is to model at an atomic scale the kinetics of precipitation and to build mesoscopic models so as to extend the range of supersaturations and annealing times that can be simulated up to values of practical inter...
متن کاملParallelization of Kinetic Monte Carlo Algorithm to Simulate Al3sc Precipitation
INTRODUCTION It is truthfully proven that kinetic Monte Carlo (kMC) is an extremely powerful method to simulate the time evolution of Markovian processes. kMC relies on the a priori knowledge of a given set of transition rates characterizing the simulated processes, which are assumed to obey Poisson statistics. Because of its versatility, ease of implementation, and wide range of applications, ...
متن کاملNanovoid nucleation by vacancy aggregation and vacancy-cluster coarsening in high-purity metallic single crystals
A numerical model to estimate critical times required for nanovoid nucleation in high-purity aluminum single crystals subjected to shock loading is presented. We regard a nanovoid to be nucleated when it attains a size sufficient for subsequent growth by dislocation-mediated plasticity. Nucleation is assumed to proceed by means of diffusion-mediated vacancy aggregation and subsequent vacancy cl...
متن کامل