About this Abstract |
Meeting |
2021 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Molecular Dynamics Modeling of Embrittlement in Irradiated Nickel-base Alloys |
Author(s) |
Michael J. Demkowicz |
On-Site Speaker (Planned) |
Michael J. Demkowicz |
Abstract Scope |
Nickel(Ni)-base alloys used in nuclear energy applications experience several forms of radiation damage, including displacement damage as well as formation of helium (He) impurities through transmutation reactions. As a result, these materials become embrittled. Molecular dynamics (MD) simulations are increasingly able to capture the atomic-scale mechanism responsible for this embrittlement. I will present recent work on MD modeling of crack initiation and propagation in Ni. The effect of different forms of radiation damage (defect clusters, He bubbles) as well as various microstructural elements (grain boundaries, slip bands) on embrittlement will be described. Prospects for direct comparisons between MD simulations of fracture and experimental investigations will be discussed. |
Proceedings Inclusion? |
Planned: |