Voltage oscillation simulation of Li-ion batteries with multiscale and multiphysics models

• Grant number: 23/08663-0
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate (Direct)
• Start date: March 18, 2024
• End date: March 17, 2025
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Raphael Nagao de Sousa
• Grantee: Eduardo de Oliveira Prates Fantini Parma
• Supervisor: Bai-Xiang Xu
• Host Institution: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Institution abroad: Technische Universität Darmstadt (TU Darmstadt), Germany
• Associated to the scholarship: 20/12632-5 - Studying the emergence of potential oscillations in lithium-ion batteries through computer simulations, BP.DD

Abstract

Recent reports have shown that phase separating electrodes may induce macroscopic voltage oscillations in Li-ion batteries. These oscillations happen as many electrode particles phase transition in conjunction, and how they synchronize is still poorly understood. The individual particle intercalation depends on the surface condition of every other particle, as they are coupled by their intercalation rate through the galvanostatic condition. To accurately simulate this process, a faithful representation of such surfaces is required, and this might not be the case for the pseudo two-dimensional (P2D) model. For this project, we propose the expansion of the P2D model, increasing the dimensionality in the active particle level. In addition to a better surface representation, the proposed model will be able to capture material anisotropic properties and mechanical effects, which may impact the properties of the voltage oscillations. (AU)