Effect of charge redistribution factor on stacking-fault energies of Mg-based binary alloys
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Author(s)
Detail(s)
Original language | English |
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Pages (from-to) | 101-105 |
Journal / Publication | Scripta Materialia |
Volume | 112 |
Online published | 27 Sept 2015 |
Publication status | Published - Feb 2016 |
Externally published | Yes |
Link(s)
Abstract
The energies of deformation fault (I2) and twin-like fault (T2) of thirteen binary Mg alloys were studied using density functional theory. It is shown that the faulted regions are energetically favorable for solute segregation, and the reduction of stacking-fault energy (SFE) was caused by charge redistribution. We define a charge redistribution factor, F, to quantify the solute-induced charge redistribution. An analytical model was established to calculate SFE from F.
Research Area(s)
- Charge redistribution factor, First-principles calculations, Magnesium alloys, Stacking-fault energies, Suzuki segregation
Citation Format(s)
Effect of charge redistribution factor on stacking-fault energies of Mg-based binary alloys. / Wu, Y.F.; Li, S.; Ding, Z.G. et al.
In: Scripta Materialia, Vol. 112, 02.2016, p. 101-105.
In: Scripta Materialia, Vol. 112, 02.2016, p. 101-105.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review