First-principles calculations of stacking fault energy in titanium alloys
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Abstract
The research of plastic deformation of metals attaches great importance to stacking fault energy (SFE). In this paper, we derive the expressions of four types (I1, I2, E and T2) of basal plane SFEs of hcp-Ti within the framework of the Ising model. Based on this model, alloying effects on the stacking fault energy (SFE) of titanium alloys are investigated via first-principles calculations. It is found that SFE always decreases with addition of alloying elements. The distribution of lattice parameters of all the studied Ti95X5 has a direct relationship with alloying element’s atomic radii. Additionally, SFEs decrease linearly with the solutes concentration increasing in the Ti-based alloys. This work provides some useful data for new Ti alloys design.
Keywords
Stacking fault energy; Ising model; Alloying and concentration effects; First-principles calculations
Cite this paper
Angyang Yu,
First-principles calculations of stacking fault energy in titanium alloys
, SCIREA Journal of Physics.
Volume 1, Issue 1, October 2016 | PP. 1-10.
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