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Predicting the Benefits of Adding Ternary Elements to Al-Sc Alloys

Published online by Cambridge University Press:  26 February 2011

Darko Simonovic
Affiliation:
d.simonovic@nimr.nl, Delft University of Technology, Materials Sciene and Engineering, Mekelweg 2, Delft, 2628CD, Netherlands, +31 15 2782346
Marcel H. F. Sluiter
Affiliation:
M.H.F.Sluiter@tudelft.nl, Delft University of Technology, Materials Science and Engineering, Mekelweg 2, Delft, 2628 CD, Netherlands
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Abstract

We seek to explain 1) the effectiveness of substituting Sc with Dy, Er, Y and 2) the loss of properties when Sc is replaced with Yb, Gd and Sm [1]. For a preliminary insight into the stability of structures we utilize the concept of Atomic Environment Type (AET) as pertaining to trialuminides. Electronic density functional total energy calculations at zero temperature are performed to obtain the enthalpy of mixing of quasi-binary Al-Sc-X structures. Estimates of the entropy are used to compute the stability regions of Al3Sc1-αXα L12 phase. We show that Sc is completely miscible with X=Dy, Er, Y and that there is a miscibility gap for X=Yb, Gd and Sm at temperatures near the aging temperature of Al-Sc alloys.

Keywords

Type
Research Article
Copyright
Copyright © Materials Research Society 2007

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References

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