Journal
ACTA MATERIALIA
Volume 52, Issue 14, Pages 4213-4227Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2004.05.037
Keywords
aluminum alloys; precipitates; crystal structure; enthalpy of formation; first-principles calculation
Ask authors/readers for more resources
Al-Mg-Si-(Cu) alloys form the basis of a wide variety of commercial precipitation-hardened alloys, and the observed precipitation sequence in these alloys is complex and involves a wide variety of metastable phases (e.g. GP zones, beta, U1, U2, B', beta'). Calculations of metastable phase equilibria in these alloys are virtually nonexistent due to the lack of quantitative information on the thermodynamics of the precipitate phases. We have undertaken an extensive, systematic first-principles study of energetics of all the reported precipitate phases of Al-Mg-Si-(Cu) alloys, using density functional-based calculations in both the local density and generalized gradient approximations. Our calculations help clarify the energetics of the metastable precipitate phases, and in certain cases, provide insight into the compositional changes of precipitates during aging. In addition to energetics, we also examine the relative volumes of the various phases, and discuss cases of significant deviation from that of the solid solution. (C) 2004 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available