About this Abstract |
| Meeting |
TMS Specialty Congress 2026
|
| Symposium
|
4th World Congress on Artificial Intelligence in Materials & Manufacturing (AIM 2026)
|
| Presentation Title |
From Quantum-Informed Descriptors to Additive Manufacturing Process: A Scale-Bridging Workflow for TCP Phase Prediction |
| Author(s) |
Sachin Rangaswamy |
| On-Site Speaker (Planned) |
Sachin Rangaswamy |
| Abstract Scope |
Benchmarking a scale-bridging workflow for TCP phase risk in additively manufactured Ni alloys: Topologically close-packed (TCP) phases such as σ in steels and μ in Ni-based alloys degrade long-term mechanical performance and corrosion resistance. TCP-risk prediction for sustainable alloy and process design must link electronic-structure disorder, CALPHAD thermodynamic driving forces, and additive manufacturing (AM) non-equilibrium solidification plus precipitation kinetics. We connect EMTO-CPA stability and disorder descriptors with high-throughput CALPHAD equilibrium and Scheil-Gulliver solidification, then feed segregation-informed states into kinetic precipitation simulations using assessed thermodynamic and mobility databases. Outputs are distilled into interpretable surrogate models. We benchmark the pipeline on a representative Ni-based system and provide a dataset and criteria to quantify predictive reliability under AM-relevant thermal histories. |
| Proceedings Inclusion? |
Undecided |