Precipitation in Al-Zr-Sc alloys: a comparison between kinetic Monte Carlo, cluster dynamics and classical nucleation theory

Details Precipitation in Al-Zr-Sc alloys: a comparison between kinetic Monte Carlo, cluster dynamics and classical nucleation theory Precipitation in Al-Zr-Sc alloys: a comparison between kinetic Monte Carlo, cluster dynamics and classical nucleation theory

2005-07-12

arxiv.org/abs/cond-mat/0507259v2

Physics

Condensed Matter

Materials Science

submitted for publication in "Solid-Solid Phase Transformations in Inorganic Materials", edited by TMS, 2005

Scientific paper

Zr and Sc precipitate in aluminum alloys to form the Al\_3Zr\_xSc\_{1-x} compound which, for low supersaturations of the solid solution, exhibits the L1\_2 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 interest. In this purpose, we use some ab initio calculations and experimental data to fit an Ising type model describing thermodynamics of the Al-Zr-Sc system. Kinetics of precipitation are studied with a kinetic Monte Carlo algorithm based on an atom-vacancy exchange mechanism. Cluster dynamics is then used to model at a mesoscopic scale all the different stages of homogeneous precipitation in the two binary Al-Zr and Al-Sc alloys. This technique correctly manages to reproduce both the kinetics of precipitation simulated with kinetic Monte Carlo as well as experimental observations. Focusing on the nucleation stage, it is shown that classical theory well applies as long as the short range order tendency of the system is considered. This allows us to propose an extension of classical nucleation theory for the ternary Al-Zr-Sc alloy.

Affiliated with

Also associated with

No associations

Rating

Precipitation in Al-Zr-Sc alloys: a comparison between kinetic Monte Carlo, cluster dynamics and classical nucleation theory does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Precipitation in Al-Zr-Sc alloys: a comparison between kinetic Monte Carlo, cluster dynamics and classical nucleation theory, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Precipitation in Al-Zr-Sc alloys: a comparison between kinetic Monte Carlo, cluster dynamics and classical nucleation theory will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-371805