About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Additive Manufacturing of Metals: Multiscale and Non-Equilibrium Solidification Fundamentals
|
| Presentation Title |
Ab Initio Prediction of Suitable Ceramics as Inoculants to Promote Small Equiaxed Grains by Grain Nucleation during Solidification in Additive Manufacturing |
| Author(s) |
Styler Theron Goring, Nathaniel Lies, Aaron Stebner |
| On-Site Speaker (Planned) |
Styler Theron Goring |
| Abstract Scope |
Inoculants, particles added to molten metal to nucleate grains during solidification, can promote small equiaxed grains in the resulting microstructure.
The traditional methodology for choosing which inoculant particle to add has consisted of finding a material, solid and stable at the metal melting temperature, which has minimal difference in lattice structure to the metal. Built off of research performed comparing only metals, this tradition has held with little improvement.
This work predicts the efficacy of different inoculant particles in nucleation during solidification, through examining the energies of metal-inoculant interfaces with density functional theory (DFT) calculations.
The predictions are then validated experimentally in additive manufacturing, showing a decrease in resulting grain size with an increase in predicted efficacy. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Additive Manufacturing, Computational Materials Science & Engineering, Solidification |