Kinetic Monte Carlo simulation of clustering in an Al–Zn–Mg–Cu alloy (7050)

A kinetic Monte Carlo technique using a simple vacancy jump for atomic diffusion has been employed for the first time to simulate early-stage precipitation in an Al–Zn–Mg–Cu (7050) alloy. Using interaction parameters deduced from the matrix compositions in over-aged samples measured using 3-dimensio...

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Bibliographic Details
Published in:Acta materialia 2005-02, Vol.53 (4), p.907-917
Main Authors: Sha, G., Cerezo, A.
Format: Article
Language:English
Subjects:
3DAP
Aluminium alloy
ALUMINIUM ALLOYS
Applied sciences
COMPUTERIZED SIMULATION
COPPER ALLOYS
Cross-disciplinary physics: materials science
rheology
Exact sciences and technology
INTERACTIONS
MAGNESIUM ALLOYS
MATERIALS SCIENCE
Metals. Metallurgy
MONTE CARLO METHOD
Monte Carlo technique
Phase diagrams and microstructures developed by solidification and solid-solid phase transformations
Physics
PRECIPITATION
Simulation
Solidification
VACANCIES
ZINC ALLOYS
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Summary:A kinetic Monte Carlo technique using a simple vacancy jump for atomic diffusion has been employed for the first time to simulate early-stage precipitation in an Al–Zn–Mg–Cu (7050) alloy. Using interaction parameters deduced from the matrix compositions in over-aged samples measured using 3-dimensional atom probe, the simulation has successfully reproduced early-stage metastable GPI zone precipitation behaviour including evolution of the cluster chemistry, the cluster number density and cluster size. The simulation has revealed the effect of strong Mg–vacancy interaction on the composition of small clusters and has indicated that there is Zn enrichment of some clusters, which further explains previous experimental observation of smaller GPI zones transforming to η′ precipitates.
ISSN:1359-6454
1873-2453
DOI:10.1016/j.actamat.2004.10.048