First-Principles Studies of Tritium Species Diffusivity Across the Interface of Nickel-Plated Zircaloy-4
- National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)
α-Zr and its alloys are known as best 3H getters due to their excellent corrosion resistance under chemically corrosive environment, low thermal neutron absorption cross-section and robust mechanical strength at high temperature. In this work, we conducted a systematic study on constructing and optimizing Ni and Zr surfaces, interfacing the stable Ni and Zr surfaces to create an optimal Ni-Zr interface, and an understanding the diffusion mechanisms for 3H across Ni(111)-Zr(0001) interface with and without vacancies and impurities such as Sn and O.
- Research Organization:
- National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Materials & Manufacturing Technologies Office (AMMTO)
- OSTI ID:
- 2500850
- Report Number(s):
- DOE/NETL--2025/4904
- Country of Publication:
- United States
- Language:
- English
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