Computational Study of Atomic Mobility in hcp Mg–Al–Zn Ternary Alloys

Wang, Jingya and Li, Na and Wang, Chuan-Yun and Beltrán, Juan Ignacio and LLorca Martinez, Francisco Javier and Cui, Yuwen (2016). Computational Study of Atomic Mobility in hcp Mg–Al–Zn Ternary Alloys. "Calphad - Computer Coupling of Phase Diagrams and Thermochemistry", v. 54 ; pp. 134-143. ISSN 0364-5916. https://doi.org/10.1016/j.calphad.2016.07.003.

Description

Title: Computational Study of Atomic Mobility in hcp Mg–Al–Zn Ternary Alloys
Author/s:
  • Wang, Jingya
  • Li, Na
  • Wang, Chuan-Yun
  • Beltrán, Juan Ignacio
  • LLorca Martinez, Francisco Javier
  • Cui, Yuwen
Item Type: Article
Título de Revista/Publicación: Calphad - Computer Coupling of Phase Diagrams and Thermochemistry
Date: 7 August 2016
ISSN: 0364-5916
Volume: 54
Subjects:
Freetext Keywords: hcp Mg–Al–Zn Ternary System, “Darken-Type” Couple, Atomic Mobility, DICTRA
Faculty: E.T.S.I. Caminos, Canales y Puertos (UPM)
Department: Ciencia de los Materiales
Creative Commons Licenses: Recognition - No derivative works - Non commercial

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Abstract

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.

Funding Projects

TypeCodeAcronymLeaderTitle
Horizon 2020669141VIRMETALFUNDACIÓN IMDEA MATERIALESVirtual Design, Virtual Processing and Virtual Testing of Metallic Materials

More information

Item ID: 55493
DC Identifier: http://oa.upm.es/55493/
OAI Identifier: oai:oa.upm.es:55493
DOI: 10.1016/j.calphad.2016.07.003
Official URL: https://www.sciencedirect.com/science/article/pii/S0364591616300633?via%3Dihub
Deposited by: Memoria Investigacion
Deposited on: 19 Jun 2019 14:48
Last Modified: 20 Jun 2019 15:31
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