| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Atomistic Simulations Linked to Experiments to Understand Mechanical Behavior: A MPMD Symposium in Honor of Professor Diana Farkas
|
| Presentation Title |
The Origin of Photo Plasticity in ZnS |
| Author(s) |
Maryam Ghazisaeidi |
| On-Site Speaker (Planned) |
Maryam Ghazisaeidi |
| Abstract Scope |
Photoplasticity, the transition from brittle to ductile behavior in materials under different lighting conditions, is observed in Group II-VI semiconductors like ZnS. ZnS tends to fracture under white light but can withstand strains up to 45% in darkness. Here, we examine how light affects the dislocation core structure and mobility using first-principles calculations. We determine the stable geometry and charge state for the glide set of Shockley partial dislocations. Our analysis of charge-dependent Peierls barriers reveals that light irradiation immobilizes dislocations, with significant asymmetry in mobilities based on type (edge or mixed) and stoichiometry (Zn or S rich). We also discuss experiments designed to validate these theoretical predictions. These findings offer a deeper understanding of the mechanical response of II-VI semiconductors under varying light conditions. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Mechanical Properties, Electronic Materials |