About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Advanced Materials for Energy Conversion and Storage 2023
|
Presentation Title |
Large-Scale Phase-field Modeling of Lithium Dendrite Growth |
Author(s) |
Jin Zhang, Alexander F. Chadwick, David L Chopp, Peter W Voorhees |
On-Site Speaker (Planned) |
Jin Zhang |
Abstract Scope |
The formation of dendrites during charging remains a critical safety issue in secondary lithium batteries. Phase-field models (PFMs) are increasingly popular tools to study dendrite growth, but they are rarely accurate with realistic system properties. Here, we present a nonlinear grand potential PFM that captures electrodeposition in a variationally correct manner. As written, this PFM imposes strong restrictions on interface width and numerical time step size. However, by combining efficient parallel solvers with a novel method of mapping and projecting driving forces, these limitations are eased, allowing simulations on comparatively large spatiotemporal scales. We demonstrate that quantitative accuracy is achieved through analytical verification. With this PFM, we examine how the thermodynamic and kinetic parameters of the anode and electrolyte determine the resulting dendrite growth. Comparisons are made against available experimental data when possible, with a goal of informing battery design. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Energy Conversion and Storage, ICME |