Abstract
A multi-body atomistic model has been developed for precipitation within a FCC substitutional aluminium alloy based upon the CALPHAD thermodynamic databases. Combined with diffusivity data, the model is applied to kinetic Monte Carlo simulation of solute Cu clustering in a binary Al-Cu alloy. Both pairwise and four-body interactions are employed and it is demonstrated that, although limited to next nearest-neighbour distances, the multi-body description results in features that resemble Guinier–Preston (GP) zones. It is not necessary to explicitly introduce long-range elastic interactions to simulate the monatomic planar dimensions, form and crystallography of GP-zones because these effects are inherently captured in the CALPHAD phase descriptions. This result shows that, although long-range interactions are believed to be crucial in the formation of planar features such as GP-zones, first nearest-neighbour multi-body interactions could, in principle, explain their appearance. The model is potentially readily generalised to multi-component alloys.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
