Data for: Oxidation driven lithium uptake in nickel-base alloys – Smoking gun evidence for an inner cathode under LWR conditions
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Documentation files
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Citation and access
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Creator/Principal investigator(s):
- Jiaxin Chen - Chalmers University of Technology - Chemistry and Chemical Engineering
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No
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Method and outcome
Method and outcome
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Administrative information
Administrative information
Responsible department/unit:
Energy and Materials, Chemistry and Chemical Engineering
Funding
Funding
Funding agency:
- Swedish Radiation Safety Authority
Opens a new window at ror.org.
ROR
Award number:
SSM2021-7174
Award title:
Modelling Environmental Sensitization of Chromia Forming Nickel Base Alloys Toward Stress Corrosion Cracking in Light Water Reactors by Atomistic Simulations
Funding information:
High temperatures and pressures, jointly with effects of radiation field on coolant composition define the conditions that cause corrosion in Light Water Reactors. Stress corrosion cracking (SCC) in load bearing structures has been a longstanding issue both in pressurized and boiling water reactors. Here, a sensitization process is proposed, and validated by means of density functional theory, for the chromia forming nickel base alloys that are resorted to for strength as well as corrosion resilience. The protective chromia scale is subject to chromate dissolution as well as intermittent microcracking, where healing is provided by outward diffusion of Cr in the alloy grain boundaries to Cr depleted regions such as crack tips. Corrosion ensues if Cr is not supplied by the alloy. This may be owing to Cr depletion in front of the crack tip into the oxide or by Cr mobility mitigation in the alloy.
Funding agency:
- Swedish Research Council
Opens a new window at ror.org.
ROR
Award number:
2023-00209
Award title:
Impact of hydrogen on alloy performance: When expecting what
Funding information:
This project aims to study alloy integrity loss caused by hydrogen entry and how to monitor it. Hydrogen in alloys causes loss of the material's elasticity, which can be detrimental to their mechanical properties, a process known as hydrogen embrittlement. Despite decades of research, H embrittlement is still challenging to be understood at the atomic scale. I want to set a breakthrough in understanding processes that control hydrogen ingress in functional alloys by combining ab initio atomistic simulations and experiments. I will: A. Describe potential mechanisms that stabilise local phases. B. Define phase formations induced by hydrogen. C . Quantify the effect of hydrogen on diffusion barriers. These objectives contribute to developing a novel comprehensive understanding of H embrittlement. My role is the design and execution of atomistic simulations that will be done side-by-side with state-of-the-art near-atomic experiments. My first case study is a Ni-base alloy. I will investigate steady-state transformations leading to hydrogen ingress, how phases are locally stabilised at interfaces, and how hydrogen affects material properties, such as vacancy mobility. The same methodology will be applied to other alloys. In the short term, these studies will help design strategies to monitor hydrogen entry in the case studies. In the long run, I will contribute to discovering materials properties that control hydrogen ingress and propose new high-strength alloys resistant to embrittlement.
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Topic and keywords
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