About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Environmental Degradation of Multiple Principal Component Materials
|
Presentation Title |
Modeling Element-resolved Dissolution of Compositionally Complex Alloys in Aqueous Environments |
Author(s) |
Kang Wang, Bi-Cheng Zhou |
On-Site Speaker (Planned) |
Bi-Cheng Zhou |
Abstract Scope |
Theoretical modeling of dissolution during aqueous corrosion is challenging due to the intertwined processes of electrochemical/chemical reactions, mass/charge transport and migration of metal/electrolyte interface. The additional compositional degrees of freedom in compositionally complex alloys (CCAs) further complicate this issue. Previous modeling efforts generally focus on the overall dissolution rate, while the role of individual alloy element leading to selective dissolution of multicomponent alloys is rarely considered. Here, we apply the principles of nonequilibrium thermodynamics to model the kinetics at the metal/electrolyte interface and incorporate the multiple internal dissipation processes of alloy elements by the maximum entropy production principle. Coupled with realistic thermodynamic and kinetic databases, the dissolution kinetics and corresponding predominant reaction mechanisms for 304 stainless steel and Ni38Fe20Cr22Mn10Co10 CCA are analyzed. With enhanced capability for element-resolved dissolution kinetics, the current work brings corrosion theories primarily for simple metals closer to real-life applications for multicomponent alloys in aqueous environments. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, Modeling and Simulation |