| About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational and Modeling Challenges in Metals and Alloys for Extreme Environments
|
| Presentation Title |
Multi-scale Simulations of Crystallographic Facet-orientation Dependent Corrosion Behavior in Metallic Alloys |
| Author(s) |
Rongpei Shi, Stephen Weitzner, Tim Hsu, Xiao Chen, Tae Wook Heo, Tuan Anh Pham, Christine Orme, Morris Wang, Brandon Wood |
| On-Site Speaker (Planned) |
Rongpei Shi |
| Abstract Scope |
The development of successful metal corrosion mitigation strategies is impeded by an incomplete mechanistic understanding of the connection between corrosion performance and microstructure; for instance, crystallographic facet dependent morphology and kinetics of pitting corrosion have not been fully addressed. Here, we present a meso-scale phase field model for pitting corrosion that takes into account interfacial electrochemical reactions, mass transport of electrolytes and morphological evolution of the corroding interface. The model is parameterized using facet-orientation dependent dissolution rates obtained by combining electron backscatter diffraction (EBSD) with atomic force microscopy (AFM). The model is then employed to quantify the individual and combine effect of different microstructure attributes and environment conditions on corrosion behaviors. The model can also be parameterized using facet-orientation dependent equilibrium dissolution potentials computed by density functional theory and then validated by EBSD and AFM measurements. Overall, the findings improve our understanding of the crystallographic controls of corrosion processes. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Environmental Effects, ICME |