| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Additive Manufacturing and Alloy Design: Bridging Fundamental Physical Metallurgy, Advanced Characterization Techniques, and Integrated Computational Materials Engineering for Advanced Materials
|
| Presentation Title |
Atomistic Simulations of Surface Energies in Immiscible Alloys to Promote Inward Marangoni Convection |
| Author(s) |
Kenyi Choy-Hernandez, Pascal Bellon |
| On-Site Speaker (Planned) |
Kenyi Choy-Hernandez |
| Abstract Scope |
Additive manufacturing of immiscible alloys has the potential to synthesize novel nanostructured materials owing to phase decomposition in the liquid phase and during solidification. We investigate whether solute additions can be used to change the radial Marangoni convection from outward to inward to avoid processing defects. Surface energies of Fe-Cu and Ni-Cu alloys obtained from CALPHAD-based models predict contradictory trends on the effect of solute concentration and temperature on the sign of this radial convection. We employ molecular dynamics simulations to calculate these surface energies in the liquid state directly. Additions of 3 to 7 at.% Cu to Fe result in a drastic decrease of the surface tension, as large as 25%, due to surface segregation. Dependence of the surface tension with solute content and temperature suggests that Cu can promote a radially inward Marangoni flow. The potential benefits of adding Ni as a second solute are investigated. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Additive Manufacturing, ICME |