| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
2025 Technical Division Student Poster Contest
|
| Presentation Title |
SPU-18: Computational Method to Predict Volumetric Contraction of Alloys During the Liquid-to-Solid Phase Transition |
| Author(s) |
Audrey Thiessen, Aurora Pribram-Jones, Jonas Kaufman, Lori Bassman, Kevin Laws |
| On-Site Speaker (Planned) |
Audrey Thiessen |
| Abstract Scope |
Solidification shrinkage results from atomic structure rearrangements during the liquid-to-solid phase transition. This shrinkage causes imperfections in cast metal products. Our group has developed a range of high-entropy brasses that exhibit a reduction in the degree of casting shrinkage compared to conventional casting alloys. Using ab initio molecular dynamics (AIMD) simulations, we created thermal expansion curves of disordered FCC crystal lattice and liquid phase structures of alloys to predict shrinkage during the liquid-to-solid phase transition. The method was validated against experimental thermal expansion and volume contraction. AIMD provides additional information about the liquid phase, which is critical to understanding how alloy composition affects liquid packing density and volumetric change between the liquid and the solid. We are exploring the method’s use for optimizing alloy composition to minimize solidification shrinkage. |
| Proceedings Inclusion? |
Undecided |
| Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, Solidification |