Thermodynamic modeling of the Sc-Zn system coupled with first-principles calculation

Thermodynamic modeling of the Sc-Zn system coupled with first-principles calculation

The Sc-Zn system has been critically reviewed and assessed by means of CALPHAD (CALculation of PHAse Diagram) approach. By means of first-principles calculation, the enthalpies of formation at 0 K for the ScZn, ScZn2, Sc17Zn58, Sc3Zn17 and ScZn12 have been computed with the desire to assist ther...

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Bibliographic Details
Main Authors:	Tang C., Zhou P., Zhao D.D., Yuan X.M., Tang Y., Wang P.S., Hu B., Du Y., Xu H.H.
Format:	Article
Language:	English
Published:	University of Belgrade, Technical Faculty, Bor 2012-01-01
Series:	Journal of Mining and Metallurgy. Section B: Metallurgy
Subjects:	Sc-Zn system thermodynamic calculation first-principles calculation CALPHAD
Online Access:	http://www.doiserbia.nb.rs/img/doi/1450-5339/2012/1450-53391200017T.pdf

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