Journal
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
Volume 34, Issue 10, Pages 1773-1780Publisher
JOURNAL MATER SCI TECHNOL
DOI: 10.1016/j.jmst.2018.02.009
Keywords
First-principles calculations; Magnesium alloys; Stacking-fault energy; Alloying effect
Funding
- National Key Researchand Development Program of China [2016YFB0701202]
- National Natural Science Foundation of China [51474149, 51631006]
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Generalized stacking-fault energies (GSFEs) of basal-plane stacking faults I-1 and I-2 in Mg alloys have been studied based on first-principles calculations, where 43 alloying elements were considered. It is found that the most contributing features of alloying elements to GSFEs are bulk modulus, equilibrium volume, binding energy, atomic radius and ionization energy. Both bulk modulus and ionization energy exhibit positive relationships with GSFEs, and the others show opposite relationships. Multiple regressions have been performed to offer a quantitative prediction for basal-plane GSFEs in Mg-X systems. GSFEs, alloying effects of elements and the prediction model established within this work may provide guidelines for new Mg alloys design with better ductility. (C) 2018 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
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