First-principles study of the generalized stacking fault energy in Mg–3Al–3Sn alloy

• Published in: Scripta materialia Vol. 65; no. 8; pp. 723 - 726
• Main Authors: Wang, Hui-Yuan, Zhang, Nan, Wang, Cheng, Jiang, Qi-Chuan
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.10.2011
• Subjects: Aluminum; Doping; Ductility; First-principles electron theory; Generalized stacking fault energies; Magnesium; Magnesium alloys; Magnesium base alloys; Mathematical analysis; Slip; Stacking fault energy; First-principles electron theory; Ductility; Magnesium alloys; Generalized stacking fault energies; Slip
• ISSN: 1359-6462; 1872-8456
• DOI: 10.1016/j.scriptamat.2011.07.016

Generalized stacking fault energies of magnesium without and with Al and Sn dopings were studied using first-principles calculations to investigate mechanisms of improved ductility for a new Mg–3Al–3Sn alloy. Reduced unstable stacking fault energy ( γ us ) results in the improved activity of { 0 0 0 1 } 〈 1 1 2 ¯ 0 〉 and the activation of the { 1 0 1 ¯ 1 } 〈 1 1 2 ¯ 0 〉 and { 1 1 2 ¯ 2 } 〈 1 1 2 ¯ 3 〉 slip systems. Moreover, the lower γ us of { 1 0 1 ¯ 1 } 〈 1 1 2 ¯ 0 〉 than of { 1 0 1 ¯ 0 } 〈 1 1 2 ¯ 0 〉 leads to the replacement of the latter by the former to be the second primary slip system.