Simulations of decomposition kinetics of Fe-Cr solid solutions during thermal aging

Details Simulations of decomposition kinetics of Fe-Cr solid solutions during thermal aging Simulations of decomposition kinetics of Fe-Cr solid solutions during thermal aging

2011-02-05

arxiv.org/abs/1102.1091v1

Physics

Condensed Matter

Materials Science

6 pages, 5 figures, PTM 2010

Scientific paper

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.

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