Generalized stacking fault energy in magnesium alloys: Density functional theory calculations

• Published in: Scripta materialia Vol. 66; no. 5; pp. 219 - 222
• Main Authors: Muzyk, M., Pakiela, Z., Kurzydlowski, K.J.
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01-03-2012
• Subjects: Ab initio calculations; Faults; Magnesium alloys; Twinning; Faults; Twinning; Ab initio calculations; Magnesium alloys
• ISSN: 1359-6462; 1872-8456
• DOI: 10.1016/j.scriptamat.2011.10.038

The generalized stacking fault energies of magnesium and their alloys have been calculated using density functional theory. It is shown that the deformation tendency caused by partial dislocations emission varies with alloying elements. Three slip systems have been considered: (0
0
0
1)[1
1
2
0], {1
1
¯
0
0}[
1
¯
1
¯
2
0] and (0
0
0
1)[1
1
0
0]. It has been shown that Pb and Sn strongly change the generalized stacking fault energy of Mg, thus reducing the stacking fault energy.