Insights into Lithium-ion battery degradation and safety mechanisms from mesoscale simulations using experimentally reconstructed mesostructures

Roberts, Scott A.; Mendoza, Hector; Brunini, Victor E.; Trembacki, Bradley L.; Noble, David R.; Grillet, Anne M.

doi:10.1115/1.4034410

Title: Insights into Lithium-ion battery degradation and safety mechanisms from mesoscale simulations using experimentally reconstructed mesostructures

Journal Article · Wed Oct 19 20:00:00 EDT 2016 · Journal of Electrochemical Energy Conversion and Storage

DOI: https://doi.org/10.1115/1.4034410 · OSTI ID:1340511

Roberts, Scott A. ^[1]; Mendoza, Hector ^[1]; Brunini, Victor E. ^[2]; Trembacki, Bradley L. ^[1]; Noble, David R. ^[1]; Grillet, Anne M. ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sandia National Lab. (SNL-CA), Livermore, CA (United States)

Battery performance, while observed at the macroscale, is primarily governed by the bicontinuous mesoscale network of the active particles and a polymeric conductive binder in its electrodes. Manufacturing processes affect this mesostructure, and therefore battery performance, in ways that are not always clear outside of empirical relationships. Directly studying the role of the mesostructure is difficult due to the small particle sizes (a few microns) and large mesoscale structures. Mesoscale simulation, however, is an emerging technique that allows the investigation into how particle-scale phenomena affect electrode behavior. In this manuscript, we discuss our computational approach for modeling electrochemical, mechanical, and thermal phenomena of lithium-ion batteries at the mesoscale. Here, we review our recent and ongoing simulation investigations and discuss a path forward for additional simulation insights.

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Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Sandia National Laboratories, Livermore, CA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Program (EE-2G)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1340511

Report Number(s):: SAND--2016-6389J; 643813

Journal Information:: Journal of Electrochemical Energy Conversion and Storage, Journal Name: Journal of Electrochemical Energy Conversion and Storage Journal Issue: 3 Vol. 13; ISSN 2381-6872

Publisher:: ASMECopyright Statement

Country of Publication:: United States

Language:: English

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