About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
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Transmutation Effects in Materials in Fission, Fusion, and Spallation Environments
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| Presentation Title |
Effects of Transmutation on Local Ordering and Energetics in Tungsten-Based Plasma-Facing Materials |
| Author(s) |
Gaurav Arora, Aasif Majeed, Mark R. Gilbert, Lucile Dezerald, Duc Nguyen-Manh, David Cereceda |
| On-Site Speaker (Planned) |
David Cereceda |
| Abstract Scope |
Tungsten (W) is a leading candidate plasma-facing material for fusion devices because of its high melting point, thermal conductivity, low sputtering yield, and favorable long-term activation behavior. However, its low fracture toughness and susceptibility to intergranular failure motivate the development of W-based alloys, including W high-entropy alloys and “smart” alloys. Because these materials will operate under intense neutron fluxes, understanding how transmutation products such as Re, Os, and Ta alter their evolving chemical order and energetics is essential. Here, we present a computational framework that integrates transmutation inventory calculations, Monte Carlo sampling, first-principles density functional theory, and machine-learning methods to quantify irradiation-induced changes in tungsten-based plasma-facing materials. We focus on the evolution of local chemical environments, short-range order, clustering tendencies, and formation and mixing energetics during irradiation. This approach reveals how transmutation-driven compositional evolution influences local ordering behavior and energetics, supporting predictive modeling of critical plasma-facing materials. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Nuclear Materials, Machine Learning |