About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Radiation Effects in Solid-State Materials: An SMD Symposium Honoring William J Weber
|
| Presentation Title |
Radiation induced amorphization and structural modifications in oxide ceramics and glasses: insights on from atomistic simulations |
| Author(s) |
Jincheng Du |
| On-Site Speaker (Planned) |
Jincheng Du |
| Abstract Scope |
Radiation induced defect formation, amorphization and property changes in ceramic and glass materials are critical for materials in nuclear and related applications from fuel to waste management. Atomistic simulations are powerful techniques that complement experimental methods to gain fundamental understanding of defect processes. In this talk, I will present several examples of large scale molecular dynamics simulations of radiation induced defect formation in zircon, cristobalite and borosilicate glass materials. The focus will be on characterization of defect formation, particularly in complex systems such amorphous materials or crystals with grain boundaries. Recent development of machine learning potentials and applications to simulations of these materials and radiation effects will be discussed. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Ceramics, Modeling and Simulation |