Journal
MATERIALS CHEMISTRY AND PHYSICS
Volume 149, Issue -, Pages 140-144Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.matchemphys.2014.09.056
Keywords
Alloys; Arc discharges; Ab initio calculations; Diffusion
Categories
Funding
- Natural Science and Engineering Research Council of Canada (NSERC)
- Auto21
- Compute/Calcul Canada
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Mechanical and electrochemical properties of Al alloys can be improved by adding a small amount of rare-earth such as yttrium. Here we demonstrate that adding yttrium also helps suppress the porosity in cast Al alloys, thus minimizing its detrimental effect on mechanical properties of the alloys. The mechanism behind is elucidated based on the hydrogen binding energies and the diffusion activation energies of hydrogen atoms in Al and Al-Y phases, calculated using the first-principle method. (C) 2014 Elsevier B.V. All rights reserved.
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