About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Seeing is Believing -- Understanding Environmental Degradation and Mechanical Response Using Advanced Characterization Techniques: An SMD Symposium in Honor of Ian M. Robertson
|
Presentation Title |
Grain Boundary Diffusion in Stainless Steel from Atomistic Simulations |
Author(s) |
Diana Farkas |
On-Site Speaker (Planned) |
Diana Farkas |
Abstract Scope |
Diffusion, particularly chromium diffusion along grain boundaries plays an important role in the corrosion of stainless steels. Austenitic stainless steels can be susceptible to stress corrosion cracking due the breakdown of the protective nature of the surface oxide, affecting crack initiation. Grain boundary diffusion is critically dependent on the details of grain boundary structure and in the present work we utilize atomistic techniques to study this variation. We use empirical potentials and molecular dynamics techniques in a polycrystalline sample with random misorientations. We report a wide variation of grain boundary diffusion coefficients, depending on the specific details of the local grain boundary structure. This can have important implications for the understanding of phenomena such as stress corrosion cracking in these materials. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Iron and Steel, Modeling and Simulation |