Computational study of atomic mobility in HCP Mg-Al-Zn ternary alloys

• Main Authors: Wang, J, Li, N, Wang, C, Beltran, J. I, LLorca, J, Cui, Y
• Format: Journal Article
• Language: English
• Published: 08-08-2016
• Subjects: Physics - Materials Science
• DOI: 10.48550/arxiv.1608.02349

CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry,
54, 134-143, 2016 The experimental data in the literature for the hcp phase of the Mg-Al-Zn
ternary system have been critically reviewed. Based on the concentration
profiles from the literature, the diffusion coefficients have been re-extracted
using the Hall method for the impurity diffusion, and the Sauer-Freise and the
Whittle-Green strategies for interdiffusion coefficients in binary and ternary
systems, respectively. Moreover, extra interdiffusion coefficients were
obtained from the Darken-type couples, which present relative maxima or/and
minima at the concentration profiles. This information was assessed to obtain
an atomic mobility database, by means of DICTRA software in conjunction with
the CALPHAD thermodynamic description that is able to reproduce the diffusion
couple experiments. Comprehensive comparisons between the calculated results
and experimental values show an excellent agreement not only for the diffusion
coefficient data, but also for the concentration profiles and the diffusion
paths.