About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
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Nanostructured Materials in Extreme Environments
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Presentation Title |
Experimental and Computational Studies of Defect and Microstructure Evolution under Irradiation in Cathode Battery Materials |
Author(s) |
Muhammad Mominur Rahman, Feng Lin, Xian-Ming Bai |
On-Site Speaker (Planned) |
Xian-Ming Bai |
Abstract Scope |
Understanding defect evolution and structural transformations in advanced battery materials under extreme environments is important for ultimately controlling their electrochemical properties. Here we utilize in-situ high-energy Kr ion irradiation with transmission electron microscopy to monitor how defects and microstructures evolve in Na- and Li-layered cathode oxide particles (LiNiO2 and Na2/3Fe1/2Mn1/2O2). Our experiments reveal that the Li-layered cathodes are more resistant to radiation-induced structural transformations, such as amorphization, than the Na-layered cathodes. Our density functional theory based calculations show that the resistance to amorphization is closely related to the energetics of cation antisite defects as well as the ionic radius difference between cations. Our quantitative mathematical analysis of the dynamic bright-field imaging shows that dislocation-loop-like defect clusters preferentially align along the Na/Li ion diffusion channels (a-b planes). The understanding of defect and microstructure evolution in layered oxides from this work provides critical insights into designing radiation-tolerant battery materials in extreme environments. |
Proceedings Inclusion? |
Planned: |
Keywords |
Ceramics, Modeling and Simulation, Nuclear Materials |