About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Advanced Materials for Energy Conversion and Storage 2022
|
Presentation Title |
Adsorption and Surface Diffusion of Metals for Advanced Manufacturing Applications |
Author(s) |
Austin Biaggne, Lan Li |
On-Site Speaker (Planned) |
Austin Biaggne |
Abstract Scope |
Advanced manufacturing has been shown to be a viable method for the development of sensors for in-pile nuclear reactors. The advanced manufacturing process involves the printing of metal, such as Mo and Nb, on substrates. Mo and Nb metals are strong candidates for the construction of in-pile thermocouples due to their temperature and irradiation resistance. However, surface diffusion and bonding between the metals and substrates have not been fully addressed. Density functional theory (DFT) calculations were performed to study the adsorption, bonding, and surface diffusion of Mo and Nb adatoms on substrates. Nudged elastic band methods were used to calculate surface diffusion paths. Electronic structure calculations were used to explore the bonding characteristics between the metals and the substrate. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Additive Manufacturing |