Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1451372 | Acta Materialia | 2005 | 6 Pages |
Abstract
The morphological evolution of nanoscale precipitates in Al–Cu alloys is studied by integrating first-principles calculations, the mixed-space cluster expansion, and Monte Carlo simulations. Without a priori assumptions, we predict generic precipitate morphologies dominated by strain-induced long-range interactions: single atomic layers consisting of 100%Cu atoms along {1 0 0} planes of a face-centered-cubic lattice of Al atoms, consistent with experimental measurements. We analyze the precipitation kinetics using the Johnson–Mehl–Avrami phase transformation theory and obtain a transformation exponent close to 1.5.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
Jianwei Wang, C. Wolverton, Stefan Müller, Zi-Kui Liu, Long-Qing Chen,