About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Enabling Nuclear Materials Innovation via the Nuclear Science User Facility Capabilities
|
| Presentation Title |
Synchrotron XRD and atomistic modeling of solute effects on ordering in Ni-Cr-based alloys |
| Author(s) |
Jia-Hong Ke, Noah Weible, Scott C Bozeman, Julie Tucker, David Sprouster |
| On-Site Speaker (Planned) |
Jia-Hong Ke |
| Abstract Scope |
Understanding solute effects on ordering and precipitate evolution is important for predicting the long-term performance of Ni-Cr-based structural alloys in advanced nuclear energy systems. This presentation combines synchrotron X-ray diffraction, density functional theory, cluster expansion, and Monte Carlo simulations to examine ordering behavior, phase stability, and microstructural evolution in thermally aged and neutron-irradiated Ni-Cr-based alloys, with emphasis on the role of Fe. First-principles calculations parameterize cluster expansion Hamiltonians, and Monte Carlo simulations predict equilibrium atomic configurations and solute partitioning. The simulations show how Fe changes chemical ordering and the stability of ordered Ni-Cr phases. Synchrotron XRD measurements evaluate ordering trends and phase evolution. Direct comparison between experiments and atomistic predictions links atomic-scale energetics with irradiation and thermally induced microstructural evolution. This combined approach provides a framework for understanding solute effects on phase transformations and supports the design of radiation-tolerant materials for current and future advanced reactor environments. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Nuclear Materials, Characterization, Computational Materials Science & Engineering |