| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Microstructural, Mechanical and Chemical Behavior of Solid Nuclear Fuel and Fuel-cladding Interface
|
| Presentation Title |
Molecular Dynamics Study of the Anisotropic Elastic Response of Defects in Alpha-Uranium |
| Author(s) |
Yuhao Wang, Benjamin Beeler, Andrea Jokisaari |
| On-Site Speaker (Planned) |
Andrea Jokisaari |
| Abstract Scope |
Alpha-uranium is a highly anisotropic material that demonstrates a complicated mechanical behavior under irradiation. Understanding the elastic response of defects in alpha-uranium and its relationship with temperature will provide critical insight into the structural evolution of metallic fuels under irradiation, such as the anisotropic growth. In this work, molecular dynamics simulations are performed to calculate the elastic constant of alpha-uranium and the volumetric strain induced by single defects and small defect clusters. The homogeneous strain of different defects is calculated in both NVT and NPT ensembles, and the results of different ensembles are compared to validate the reliability of the method. Moreover, the elastic dipole tensor and the lambda-tensor are determined for each type of defect considered, and the anisotropy of these elastic response properties is analyzed. These results will contribute to mesoscale phase-field modeling with important atomistic inputs. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Other, Other, Other |