About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Photomechanical and Electromechanical Effects in Structural and Functional Materials
|
| Presentation Title |
Temperature-dependent competition between dislocation motion and phase transition in CdTe |
| Author(s) |
Li Jun, Qi An |
| On-Site Speaker (Planned) |
Li Jun |
| Abstract Scope |
We systematically examined the temperature-dependent Peierls stress for 30 ° and 90 ° partial dislocations in CdTe, using a combination of molecular statics and molecular dynamics simulations, as well as density functional theory simulations. Our findings reveal that the 0 K Peierls stresses for these partial dislocations in CdTe are relatively low, ranging from 0.52 GPa to 1.46 GPa, due to its significant ionic bonding characteristics. Notably, in the CdTe system containing either a 30 ° Cd-core or 90 ° Te-core partial dislocation, a phase transition from the zinc-blende phase to the β- Sn-like phase is favored over dislocation motion. This suggests a competitive relationship between these two mechanisms, driven by the bonding characteristics within the dislocation core and the relatively low phase transition stress of ∼1.00 GPa. Furthermore, the dominant deformation mechanism in CdTe shifts from solid-state phase transition at low temperatures to dislocation motion at high temperatures. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Mechanical Properties, Modeling and Simulation, |