About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Photomechanical and Electromechanical Effects in Structural and Functional Materials
|
| Presentation Title |
Light Illumination-induced Dislocation Line Roughening in Semiconductors |
| Author(s) |
Liming Xiong, Qi An |
| On-Site Speaker (Planned) |
Liming Xiong |
| Abstract Scope |
In this talk, taking ZnS as a sample material, we present results from atomistic and coarse-grained (CG) atomistic simulation of dislocation motion in semiconductors under deformation in darkness and light. Using a recently developed machine learning interatomic potential (MLIP), we calculate the energy barrier associated with the kink formation and dislocation mobility in ZnS under deformation in dark and light. The line length-, temperature-, stress-, and light illumination-dependence of dislocation line configuration and its mobility are characterized. Three main findings are: (i) the mobility barrier for dislocations in ZnS under light illumination is significantly higher than that in darkness; (ii) under the same shear stress, the dislocation line in light is much rougher than that in darkness; and thus (iii) the mobility of dislocations in ZnS exhibits a stronger dependence on dislocation line length than it does in dark. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Mechanical Properties, Nanotechnology |