About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
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Materials Systems for the Future of Fusion Energy
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Presentation Title |
Multi-scale Model for Segregation of Transmutation-generated Solutes in Neutron Irradiated Tungsten |
Author(s) |
Duc Nguyen-Manh, Matthew J. LLoyd , Jan S Wrobel, Michael Klimenkov, Luca Messina, Sergei L Dudarev, Enrique Martinez , Charlotte Becquart, Christophe Domain |
On-Site Speaker (Planned) |
Duc Nguyen-Manh |
Abstract Scope |
Understanding how the properties of materials change due to nuclear transmutations initiated by exposure to neutrons is a major challenge for the structural components of a fusion reactor. In this study, the multiscale modelling approach is used to investigate segregation of transmutation-generated solutes in neutron irradiated tungsten. Monte-Carlo simulations using a cluster expansion energy model for W-Re-Os-Vacancy system shows the formation of voids decorated by both Re and Os at concentrations of only 1.5% and 0.1%, respectively. This anomalous segregation is analysed in terms of the correlations between Re and Os and found in agreement with APT and STEM experimental observations of W exposed at 1200K in HFR. A systematic DFT investigation of the interaction between solutes and a <111 > dislocation loop in W demonstrates that Os has the strongest binding energy. The new energy model was employed to predict the formation of solute denuded zones near grain boundaries. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Nuclear Materials, High-Temperature Materials |