| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Radiation Effects in Metals and Ceramics
|
| Presentation Title |
Investigating the Influence of Cu Rich Precipitates (CRPs) on the Formation of Complex Mn-Ni-Si Rich Precipitate Phases using Density Functional Theory (DFT) |
| Author(s) |
Alexander Myles Garrett, Christopher Race |
| On-Site Speaker (Planned) |
Alexander Myles Garrett |
| Abstract Scope |
It is suggested that when subjected to elevated temperatures and very high neutron fluences low-alloy reactor pressure vessel (RPV) steels could experience anomalous embrittlement due to the formation of complex Mn-Ni-Si precipitates (MNSPs). Cu rich precipitates (CRPs) are suspected of assisting the formation of these MNSPs by acting as sites of segregation for the constituent solute species.
This work utilises multi-scale modelling to investigate the morphology of CRPs, using this information to provide insights into the role of CRPs in the formation of complex precipitate phases. Specifically, we have used density functional theory (DFT) in combination with particle swarm optimisation (PSO) and molecular statics to predict the geometries and strain states of CRPs. With these calculated geometries and strains we then investigated the segregation (and co-segregation) of Mn, Ni and Si to CRPs of different radii with DFT, allowing segregation behaviour predictions to be made. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |