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Influence of non-rare earth elements on basal stacking fault energy of Mg binary alloys in solid solution
National Engineering Research Center for Magnesium Alloys, College of Materials Science and Engineering, Chongqing University, Chongqing 400044, China; National Key Laboratory of Advanced Casting Technologies, Chongqing University, Chongqing 400044, China.
National Engineering Research Center for Magnesium Alloys, College of Materials Science and Engineering, Chongqing University, Chongqing 400044, China; National Key Laboratory of Advanced Casting Technologies, Chongqing University, Chongqing 400044, China.
National Engineering Research Center for Magnesium Alloys, College of Materials Science and Engineering, Chongqing University, Chongqing 400044, China; National Key Laboratory of Advanced Casting Technologies, Chongqing University, Chongqing 400044, China.
National Engineering Research Center for Magnesium Alloys, College of Materials Science and Engineering, Chongqing University, Chongqing 400044, China; National Key Laboratory of Advanced Casting Technologies, Chongqing University, Chongqing 400044, China.
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2025 (English)In: Scripta Materialia, ISSN 1359-6462, E-ISSN 1872-8456, Vol. 257, article id 116479Article in journal (Refereed) Published
Abstract [en]

Using first principle alloy theory, we calculate the basal stacking fault energies as a function of chemical composition for a series of Mg binary alloys by accounting for the chemical disorder in solid solution. We show that while the basal stacking fault energies significantly increase with the addition of Co, Ni, Ag, and Li, they obviously decline upon alloying with Sn, Y, Ca, and Al. In contrast, Zn and Ti exhibit negligible influence on the basal stacking fault energy of I1 and I2 fault. The varied influence of alloying species on basal stacking fault energies are demonstrated to predominately determined by the volume- and composition-dependent relative phase stability between face-centered cubic and hexagonal close-packed structure. The influence of alloy species predicted in solid solution are obviously different from those computed for segregated ones, underlining the significance of chemical disorder to the intrinsic energy barriers of Mg solid solutions.

Place, publisher, year, edition, pages
Elsevier BV , 2025. Vol. 257, article id 116479
Keywords [en]
Chemical disorder, First principle calculations, Magnesium alloys, Stacking fault energy
National Category
Chemical Engineering
Identifiers
URN: urn:nbn:se:kth:diva-357684DOI: 10.1016/j.scriptamat.2024.116479ISI: 001375524100001Scopus ID: 2-s2.0-85210394405OAI: oai:DiVA.org:kth-357684DiVA, id: diva2:1920791
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QC 20241213

Available from: 2024-12-12 Created: 2024-12-12 Last updated: 2025-12-08Bibliographically approved

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Vitos, Levente

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