About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
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Microstructure-Sensitive Modeling Across Length Scales: An MPMD/SMD Symposium in Honor of David L. McDowell
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| Presentation Title |
Molecular Dynamics Investigation of Dislocation Mobility in Fe-Cr Alloys |
| Author(s) |
Kieran Edmonds, Manikandan Muruganandam, Enrique Martinez, Tomohisa Kumagai, Anter El-Azab |
| On-Site Speaker (Planned) |
Kieran Edmonds |
| Abstract Scope |
Ferritic steels based on the Fe-Cr system are leading candidates for fusion reactor components due to their low activation and high-temperature mechanical strength. These alloys are susceptible to irradiation-induced hardening and embrittlement. Dislocation-dynamics (DD) modeling of these radiation effects requires reliable, composition- and character-dependent dislocation mobility laws for these materials. While previous atomistic studies have extracted mobility laws for pure metals and alloys primarily for screw and edge dislocations, a systematic understanding of dislocation mobility for mixed dislocations in these alloys is still needed. Here, we use molecular dynamics simulations to obtain dislocation mobility for mixed dislocations as a function of Cr concentration and temperature. We derive and fit mobility laws for use in DD simulations, identify trends across these varying conditions, and interpret them in the context of existing theory. We conclude by outlining paths toward more physically grounded and broadly transferable mobility models. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Mechanical Properties, Modeling and Simulation |