| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
2024 Technical Division Student Poster Contest
|
| Presentation Title |
SPG-77: Stress Fluctuations due to Random Interstitials in HCP Ti |
| Author(s) |
Siying Li, Daryl C. Chrzan |
| On-Site Speaker (Planned) |
Siying Li |
| Abstract Scope |
Core structures control dislocation dynamics and affect mechanical properties. Atomistic simulations showed that for a-type screw dislocations in HCP Ti, the pyramidal core is the ground state core, the prism core is metastable, and the basal core is unstable. Our previous study showed that the long-ranged linear elastic interaction between octahedral oxygen and the a-type screw dislocation could change the relative stability of core structures. In this study, we argue that the fluctuation of non-Schmid stress due to random interstitials leads to such a variety of stable core structures. Linear elasticity theory is used to calculate stress fluctuations due to octahedral and hexahedral solutes in HCP Ti. Input parameters (i.e. elastic dipole tensors) are computed with density functional theory. This study provides insights into alloy design by engineering core structures via solute additions. This research was funded by ONR under grants N00014-17-1-2283 and N00014-19-1-2376 and NSF under grant DMR-2324022. |
| Proceedings Inclusion? |
Undecided |
| Keywords |
Titanium, Computational Materials Science & Engineering, Modeling and Simulation |