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Meeting 2027 TMS Annual Meeting & Exhibition
Symposium AI/ML/Data Informatics for Materials Discovery: Bridging Experiment, Theory, and Modeling
Presentation Title A High throughput experimental-computational approach linking Stacking Fault Energy and nanotwin formation in Nickel-based thin film libraries
Author(s) Anthony A. Botros, Ashley Maldonado Otero, Mohammad Hadi Yazdani, Paulo Branicio, Andrea M. Hodge
On-Site Speaker (Planned) Anthony A. Botros
Abstract Scope As data-driven computational methods push the theoretical boundaries of material performance, accelerated experimental techniques are needed to provide necessary validation. In this work, an integrated computational-experimental approach is employed to explore Nickel-based super alloys, through precursor libraries for binary NiCr and NiFe, as well as ternary NiCrFe systems. The insights derived from atomistic simulations guide combinatorial high-throughput (CHT) experimentation via DC magnetron co-sputtering. The resulting material libraries, consisting of hundreds of compositionally distinct films, revealing direct links between alloy composition, stacking fault energy (SFE), and nanotwin formation. The experimental results are fed back to fine-tune simulation parameters, creating an iterative refinement process. This combined simulation-experimental framework offers new insights for compositional design of nanotwinned materials and complex alloy systems.
Proceedings Inclusion? Planned:
Keywords Thin Films and Interfaces, High-Temperature Materials, Other

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