About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
Understanding Reaction Heterogeneity in Battery Electrodes Through Mesoscale Modeling and X-Ray Imaging |
| Author(s) |
Ming Tang |
| On-Site Speaker (Planned) |
Ming Tang |
| Abstract Scope |
Non-uniform reactions in battery electrodes are important causes for inferior battery performance and life. Here we present studies where we combine mesoscale modeling with X-ray imaging techniques to understand their origins in lithium-ion batteries (LIBs) and beyond. For LiFePO4, a mainstream LIB cathode, our study reveals that elastic strain and point defects play an instrumental role in inducing filamentary domains in single-crystals and agglomerates upon cycling, limiting fast (dis)charging capability. Moving to anode side, development of unstable deposition morphologies of metallic anodes poses a major challenge to their wide adoption. Using lattice kinetic Monte Carlo simulations, we reveal that the competition between surface passivation and diffusion alone could produce filamentary and mossy structures, in contrast to previous belief that surface energy anisotropy and/or electrical field concentration are essential for lithium and zinc dendrite growth. Such insights shed light on effective dendrite mitigation strategies such as pulsed plating. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Energy Conversion and Storage, Modeling and Simulation, |