Twin-boundary segregation energies and solute-diffusion activation enthalpies in Mg-based binary systems: A first-principles study

  • Zhang J
  • Dou Y
  • Zheng Y
  • 31

    Readers

    Mendeley users who have this article in their library.
  • 27

    Citations

    Citations of this article.

Abstract

The twin-boundary segregation energies of {10-12} tension twins and the solute-diffusion activation enthalpies for various Mg-based binary systems were computed using density functional theory. The twin boundary segregation probabilities of the alloying elements were evaluated, considering both migration and segregation ability of randomly distributed solutes into twin boundaries. A design map based on the interaction between solutes and twins was proposed. The results provide a basis for future investigations of tailoring twins through solutes and the development of new high-performance Mg alloys. © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Author-supplied keywords

  • Diffusion
  • First-principles calculation
  • Magnesium alloys
  • Segregation
  • Twinning

Get free article suggestions today

Mendeley saves you time finding and organizing research

Sign up here
Already have an account ?Sign in

Find this document

Get full text

Authors

  • Jing Zhang

  • Yuchen Dou

  • Yi Zheng

Cite this document

Choose a citation style from the tabs below

Save time finding and organizing research with Mendeley

Sign up for free