Abstract
The plasticity of hexagonal titanium is reexamined based on the split slip modes phenomenon, revealing the existence of subslip modes in prismatic and pyramidal hcp slip systems. The energetics of dislocation emission and motions were described using all-dimension relaxed atomic models of crystal slip, calculated with density functional theory. The proposed computational methodology is based on the generalized stacking fault energy concept and respects all elastic effects arising within dislocation nucleation. As a result, improved accuracy has been obtained with regard to ductility prediction and a breach has been discovered in the fundamental Peierls-Nabarro rule. This approach is essential for the Rice and Peierls-Nabarro models and can be used as an effective tool for ductility predictions when designing new hexagonal alloys.
- Received 24 September 2013
- Revised 6 March 2014
DOI:https://doi.org/10.1103/PhysRevB.89.144105
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