About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Materials Science and Engineering of Materials in Nuclear Reactors
|
Presentation Title |
E-39: Molecular Dynamics and Phase-field Study of Anisotropic Grain Growth Behavior in UO2 |
Author(s) |
Jarin French, Yipeng Gao, Xian-Ming Bai |
On-Site Speaker (Planned) |
Jarin French |
Abstract Scope |
UO2 is the primary nuclear fuel in light water reactors. The fuel performance while in-reactor can be significantly affected by the fuel’s grain growth behavior. Using a combination of molecular dynamics and phase-field simulations, we have systematically investigated microstructural evolution in UO2 as influenced by anisotropic grain boundary (GB) properties. Molecular dynamics simulations are conducted to study the misorientation- and rotation-axis-dependent anisotropy in GB energy and GB mobility in UO2. Our results show that GB mobility has a strong anisotropy, while GB energy is not sensitive to these two GB characters. In general, the GBs with a <111> rotation axis have higher mobility than other rotation axes. Phase-field simulations are performed to elucidate the effect of anisotropic GB properties on grain growth behavior at the mesoscale. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |