|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Advanced Characterization and Modeling of Nuclear Fuels: Microstructure, Thermo-physical Properties
||An Atomistic Study of the Anisotropic Elastic Response of Defects in Alpha Uranium
||Yuhao Wang, Benjamin Beeler, Andrea Jokisaari
|On-Site Speaker (Planned)
The alpha-uranium phase can play an important role in the performance and structure evolution of metallic fuels under irradiation. However, an atomistic understanding of alpha uranium is still lacking in the areas of fundamental defect structural and transport properties, especially at non-zero temperatures. In this work, molecular dynamics is used to determine the energetic and thermodynamic properties of point defects in alpha uranium. The formation energy and crystallographically-dependent diffusion coefficients of single defects and small defect clusters were determined, along with the anisotropic thermal expansion and the heat capacity of a bulk crystal. The elastic response for different types of defects is evaluated by calculations of the volumetric strain, elastic dipole tensor, and λ-tensor. These results will serve as important inputs for mesoscale phase-field simulations and provide insight into the anisotropic growth of alpha uranium under irradiation.
||Other, Other, Other