About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Radiation Effects in Solid-State Materials: An SMD Symposium Honoring William J Weber
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| Presentation Title |
Helium Bubbles in Fe-Cr Alloys: Stability and Coalescence from Molecular Dynamics Simulations |
| Author(s) |
Manuel Pascual-García, Santiago Heredia-Avalos, Maria J. Caturla, Cristian Denton |
| On-Site Speaker (Planned) |
Maria J. Caturla |
| Abstract Scope |
We employ molecular dynamics simulations to investigate helium bubbles in Fe-Cr alloys. The calculations were performed using LAMMPS and the concentration dependent interatomic potential [1] and [2] for the He-Fe and He-Cr interactions. For single bubbles, we evaluate the equilibrium pressure of bubbles, the corresponding surface tension and the conditions under which the loop-punching mechanism occurs. The coalescence of two He bubbles is investigated placing them at different distances and examining both spontaneous coalescence and coalescence triggered by collision cascades. Our results show that the formation of a single coalesced He bubble depends on bubble radius, He-vacancy ratio, and separation between bubbles. Collision cascades also promote coalescence, while the Cr content of the alloy has a negligible effect.
[1] G. Bonny, R.C. Pasianot, D. Terentyev, and L. Malerba, Phil. Mag. 91, 1724 (2011).
[2] D. Terentyev, et al, J. of Appl. Physics 105, 103509 (2009). |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Iron and Steel, Modeling and Simulation |