About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Developments in Advanced Nuclear Structural Materials
|
| Presentation Title |
K-4: Design of Terminal Compositions for a Joinable/FGM-able Alloy System for Fusion Materials |
| Author(s) |
Samuel Ifada, Doğuhan Sarıtürk, Ahnaf Alvi, Brent Vela, James Hanagan, Raymundo Arrόyave |
| On-Site Speaker (Planned) |
Samuel Ifada |
| Abstract Scope |
Monolithic materials cannot meet fusion reactors' spatially heterogeneous requirements. We present a high-throughput computational framework for designing functionally graded materials (FGMs) for fusion applications. Our approach integrates CALPHAD modeling, universal interatomic potentials, and graph-based compositional navigation to explore Ti-V-Cr-Fe-W alloys. High-throughput CALPHAD screens single-phase BCC alloys, while the Maresca-Curtin model predicts yield strength. Our key innovation implements connectivity constraints via Nimplex graphs, ensuring selected alloys form connected subgraphs in compositional space, enabling feasible grading pathways. Multi-scale modeling spans atomic to component levels: UIPs assess defect energetics, and LAMMPS determines annihilation rates, feeding neutronics simulations of radiation damage. Gaussian Process emulators enable multi-objective optimization, and balancing irradiation resistance, mechanical integrity, and thermal management. Preliminary screening identified promising compositional pathways maintaining phase stability with tailored property gradients. This framework demonstrates how constraint satisfaction and graph-based design accelerate materials development for extreme environments, providing systematic navigation of multi-component alloy design complexity. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, Joining, Nuclear Materials |