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

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.
Authors:
 [1] ;  [1] ;  [2] ;  [1] ;  [1] ;  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  2. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Publication Date:
Report Number(s):
SAND-2016-6389J
Journal ID: ISSN 2381-6872; 643813
Grant/Contract Number:
AC04-94AL85000
Type:
Accepted Manuscript
Journal Name:
Journal of Fuel Cell Science and Technology (Online)
Additional Journal Information:
Journal Name: Journal of Fuel Cell Science and Technology (Online); Journal Volume: 13; Journal Issue: 3; Journal ID: ISSN 2381-6872
Publisher:
ASME
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sandia National Laboratories, Livermore, CA (United States)
Sponsoring Org:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; 36 MATERIALS SCIENCE; particulate matter; binders (materials); simulatio; engineering simulation; Lithium-ion batteries; electrical conductivity; electrolytes; stress; batteries
OSTI Identifier:
1340511

Roberts, Scott A., Mendoza, Hector, Brunini, Victor E., Trembacki, Bradley L., Noble, David R., and Grillet, Anne M.. Insights into Lithium-ion battery degradation and safety mechanisms from mesoscale simulations using experimentally reconstructed mesostructures. United States: N. p., Web. doi:10.1115/1.4034410.
Roberts, Scott A., Mendoza, Hector, Brunini, Victor E., Trembacki, Bradley L., Noble, David R., & Grillet, Anne M.. Insights into Lithium-ion battery degradation and safety mechanisms from mesoscale simulations using experimentally reconstructed mesostructures. United States. doi:10.1115/1.4034410.
Roberts, Scott A., Mendoza, Hector, Brunini, Victor E., Trembacki, Bradley L., Noble, David R., and Grillet, Anne M.. 2016. "Insights into Lithium-ion battery degradation and safety mechanisms from mesoscale simulations using experimentally reconstructed mesostructures". United States. doi:10.1115/1.4034410. https://www.osti.gov/servlets/purl/1340511.
@article{osti_1340511,
title = {Insights into Lithium-ion battery degradation and safety mechanisms from mesoscale simulations using experimentally reconstructed mesostructures},
author = {Roberts, Scott A. and Mendoza, Hector and Brunini, Victor E. and Trembacki, Bradley L. and Noble, David R. and Grillet, Anne M.},
abstractNote = {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.},
doi = {10.1115/1.4034410},
journal = {Journal of Fuel Cell Science and Technology (Online)},
number = 3,
volume = 13,
place = {United States},
year = {2016},
month = {10}
}