| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Atomistic Simulations Linked to Experiments to Understand Mechanical Behavior: A MPMD Symposium in Honor of Professor Diana Farkas
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| Presentation Title |
The Impact of Initial Grain Boundary Structure on the Properties of Irradiated Materials |
| Author(s) |
Saryu Jindal Fensin, Sarah Paguaga, Ian Chesser, Calvin Lear |
| On-Site Speaker (Planned) |
Saryu Jindal Fensin |
| Abstract Scope |
The complex radiation-induced defect evolution of alloys near grain boundaries (GBs) is still poorly understood. In this work, we employ atomistic simulations to study the high radiation dose limit of grain boundary (GB) structures for many types of GBs in pure Ni and NiCoCr alloys. We find that, upon continuously loading a GB with Frenkel pairs in the athermal limit, a steady state disordered GB structure is reached with fluctuating excess properties. Steady state GB structures vary with macroscopic GB crystallography, but are found to depend only weakly on initial metastable GB structure. The mechanical responses of pristine and irradiated GB structures are compared under an applied shear stress and are found to differ significantly in many, but not all cases. Case studies are given for particular alloy compositions and GB geometries with comparisons to in-situ TEM data. We discuss implications of this study for engineering radiation damage tolerant alloys. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Mechanical Properties, Computational Materials Science & Engineering |