About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Nanostructured Materials in Extreme Environments IV
|
| Presentation Title |
Atomistic Simulations Investigating the Effects of Nano-Dispersoids on Early-Stage Oxidation Mechanisms |
| Author(s) |
Gabriel Plummer, Mikhail Mendelev, Timothy Smith, John Lawson |
| On-Site Speaker (Planned) |
Gabriel Plummer |
| Abstract Scope |
Recent innovations in additive manufacturing processes at NASA have enabled the development of new alloys with a near-uniform dispersion of nanosized oxide particles. Such oxide dispersion strengthened (ODS) alloys exhibit remarkable improvements to high temperature properties such as creep and oxidation resistance, but their mechanistic underpinnings remain elusive. To address this problem and further optimize the processing of these ODS alloys, we have developed several new atomistic simulation tools to enable large-scale molecular dynamics simulations of metal/oxide systems. We demonstrate their utility with simulations of early-stage oxidation in Ni. Owing to their ability to access longer time scales than previous methods, the simulations successfully recover low temperature mechanisms observed in experiments, and a new mechanism is observed at high temperatures. Building on this success, we investigate early-stage oxidation in the Ni-Y2O3 system, placing an emphasis on the ability of Y2O3 nano-dispersoids to stabilize the growing oxide film. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, High-Temperature Materials, Environmental Effects |