| About this Abstract |
| Meeting |
Materials in Nuclear Energy Systems (MiNES) 2021
|
| Symposium
|
Materials in Nuclear Energy Systems (MiNES) 2021
|
| Presentation Title |
First-principles Study of the Interfaces between Gamma-U and Uranium Carbide |
| Author(s) |
Zhi-Gang Mei, Bei Yei, Abdellatif Yacout, Benjamin Beeler |
| On-Site Speaker (Planned) |
Benjamin Beeler |
| Abstract Scope |
To understand the effect of uranium carbide formation on the mechanical properties of UMo alloy fuel, we investigated the interfaces formed between bcc gamma-U metal and uranium carbide using first-principles density-functional theory calculations. Two representative interfacial plane orientations, i.e., U(110)/UC(100) and U(100)/UC(100), were investigated for different potential terminations of UC. Calculations show that both lattice mismatch and interfacial bonding play crucial roles in determining the interfacial stability and adhesion strength of the gamma-U and UC interfaces. The effect of Mo alloy in gamma-U metal and non-stoichiometric of UC on the adhesion strength of gamma-U/UC interfaces were investigated. We studied the effect of the defect concentration and their locations with respect to the interface on the interfacial stability. Finally, the predicted interface models of gamma-U/UC interface were used to simulate the fracture toughness of gamma-UMo/UC interfaces. |
| Proceedings Inclusion? |
Undecided |