| About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Titanium Technology
|
| Presentation Title |
Multiscale Modeling of Metal-hydrogen Interactions: A Case Study of Hydride Formation in Titanium |
| Author(s) |
Tae Wook Heo, Kyoung Eun Kweon, Nathan D. Keilbart, Rongpei Shi, Ryan G. Mullen, Brandon C. Wood |
| On-Site Speaker (Planned) |
Tae Wook Heo |
| Abstract Scope |
Metal-hydrogen interactions are an important topic in physical metallurgy. The associated mechanisms involve the complicated coupling of chemical/physical processes over multiple length and time scales. This presentation will focus on our multiscale modeling effort for hydrogen-titanium interactions. Ti alloys are outstanding materials for aerospace and biomedical applications owing to their excellent strength to weight ratio and corrosion resistance. However, gradual pickup of hydrogen often forms hydrides, degrading mechanical properties. We will discuss how the associated multiphysics modeling factors are combined within the mesoscale modeling framework to describe hydride formation in a polycrystalline system. We will then present how materials parameters for polycrystalline Ti-H, which are derived from atomistic modeling approaches, are incorporated into the integrated framework. Particularly, we will show our systematic simulation study for analyzing the impacts of grain boundaries and surfaces on hydrogen diffusion kinetics, propensity for hydride formation, and hydride microstructure in concert with experimental characterizations. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Titanium, Modeling and Simulation, Other |