| About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Titanium Technology
|
| Presentation Title |
Characterization and Slip of <a> Screw Dislocation in Pure hcp α Titanium from Atomistic Simulations |
| Author(s) |
Ali Rida, Satish Rao, Jaafar El-Awady |
| On-Site Speaker (Planned) |
Jaafar El-Awady |
| Abstract Scope |
The plastic deformation of pure hcp α Ti is carried out by the glide of <a> screw dislocations on the{-1100} prismatic planes. In this work, we used Molecular statics and dynamics simulations to determine the core structure and critical stress for the motion of <a> screw dislocations on the prism plane in α-Ti at low temperatures using a recently developed MEAM-spline potential for Ti-Nb. From Molecular statics at 0K we found two core structures, one spread on the pyramidalI plane and the other one on the prismaticI plane. In agreement with first-principle calculations, the pyramidalI core is the ground state core and ΔE between the two cores is 18.8 mev/b. Finally, MD simulations show that the screw dislocations glide by a kink-pair mechanism on the prismatic plane and the calculated Peierls stress vs T for the prismatic core are in good agreement with experimental low-temperature yield data for prismatic slip. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Titanium, Modeling and Simulation, Mechanical Properties |