Unveiling Phase Formation in High Entropy Alloys During Physical Vapor Deposition
Published:
Utilizing molecular dynamics (MD) simulations, this study provides a detailed analysis of the physical vapor deposition (PVD) process for high entropy alloys (HEAs) using LAMMPS. The visualizations, crafted using OVITO, shed light on the intricate phase formation dynamics in these materials.
The videos display the deposition of CoFeNiTi HEA onto a FCC Ni substrate. The left video shows the phase formation in CoFeNiTi0.16 alloy, where Ti’s molar ratio is 0.16. This Ti content results in a FCC structure similar to the substrate with a few defects. Contrastingly, as shown on the right, increasing Ti’s molar ratio to 1 induces a phase transition from FCC to an amorphous structure. This observation aligns with experimental findings, underscoring that the larger atomic size difference introduced by more Ti atoms plays a crucial role in the phase formation.
For an in-depth understanding of our research and findings, please refer to our published paper in Acta Materialia: CoFeNiTix and CrFeNiTix high entropy alloy thin films microstructure formation