| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
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Atomistic Simulations Linked to Experiments to Understand Mechanical Behavior: A MPMD Symposium in Honor of Professor Diana Farkas
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| Presentation Title |
CRSS for Slip in Titanium: Theoretical Predictions and In-Situ Experimental Measurements |
| Author(s) |
Orcun Koray Celebi, Tolga Berkay Celebi, Daegun You, Ashley Bucsek, Huseyin Sehitoglu |
| On-Site Speaker (Planned) |
Orcun Koray Celebi |
| Abstract Scope |
CRSS for slip in titanium is investigated through a combination of experimental and theoretical approaches. Nanomechanical testing in in-situ TEM, employing a push-to-pull device with a picoindenter under tensile loading, enables direct and reliable measurement of stress, providing CRSS values for the activated slip systems by controlling the crystal orientation to isolate a single system. Experimentally measured CRSS levels show good agreement with theoretical predictions derived from energy barriers using DFT simulations. Our findings reveal that the dislocation core structures in titanium are highly distorted, governing their glide barrier. Additionally, core distortion and asymmetry, along with the strong core interaction of the two partials, lead to tension-compression asymmetry in CRSS levels for pyramidal slip systems. Furthermore, we demonstrate that the coupling between individual Schmid factors of the partials and their glide tracing minimum energy path contributes to deviations from the Schmid law, uncovering a novel mechanism for non-Schmid behavior. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Titanium, Mechanical Properties, Computational Materials Science & Engineering |