skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Multiscale modeling and characterization for performance and safety of lithium-ion batteries

Journal Article · · Journal of Applied Physics
DOI:https://doi.org/10.1063/1.4927817· OSTI ID:1213991

Lithium-ion batteries are highly complex electrochemical systems whose performance and safety are governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. In this paper we describe a new, open source computational framework for Lithium-ion battery simulations that is designed to support a variety of model types and formulations. This framework has been used to create three-dimensional cell and battery pack models that explicitly simulate all the battery components (current collectors, electrodes, and separator). The models are used to predict battery performance under normal operations and to study thermal and mechanical safety aspects under adverse conditions. The model development and validation are supported by experimental methods such as IR-imaging, X-ray tomography and micro-Raman mapping.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1213991
Alternate ID(s):
OSTI ID: 1229628
Journal Information:
Journal of Applied Physics, Vol. 118, Issue 7; ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 36 works
Citation information provided by
Web of Science

References (67)

Phase field modeling of electrochemistry I: Equilibrium text January 2003
Nanoscale design to enable the revolution in renewable energy journal January 2009
Three-Dimensional Battery Architectures journal December 2004
Challenges for Rechargeable Li Batteries journal February 2010
Origins and accommodation of cell variations in Li-ion battery pack modeling journal December 2009
Thermal/electrical modeling for abuse-tolerant design of lithium ion modules journal December 2009
Simulation and Optimization of the Dual Lithium Ion Insertion Cell journal January 1994
New Horizons for Conventional Lithium Ion Battery Technology journal September 2014
Analysis of Electrochemical and Thermal Behavior of Li-Ion Cells journal January 2003
Phase field modeling of phase boundary motion due to transport-limited electrochemical reactions conference April 2007
Homogenized mechanical properties for the jellyroll of cylindrical Lithium-ion cells journal November 2013
Phase field modeling of electrochemistry. I. Equilibrium journal February 2004
Calibration and finite element simulation of pouch lithium-ion batteries for mechanical integrity journal March 2012
Thermal runaway risk evaluation of Li-ion cells using a pinch–torsion test journal March 2014
Local Detection of Activation Energy for Ionic Transport in Lithium Cobalt Oxide journal June 2012
High thermal conductivity negative electrode material for lithium-ion batteries journal February 2001
Battery materials for ultrafast charging and discharging journal March 2009
Modeling discharge and charge characteristics of nickel–metal hydride batteries journal August 1999
What Are Batteries, Fuel Cells, and Supercapacitors? journal October 2004
Mathematical Analysis of a Zn∕NiOOH Cell journal January 1983
Multifunctional 3D nanoarchitectures for energy storage and conversion journal January 2009
Thermal Model for a Li-Ion Cell journal January 2008
Review of models for predicting the cycling performance of lithium ion batteries journal June 2006
Capacity Fade Mechanisms and Side Reactions in Lithium-Ion Batteries journal January 1998
Phase-Field Modeling of Transport-Limited Electrolysis in Solid and Liquid States journal January 2007
Comparison between computer simulations and experimental data for high-rate discharges of plastic lithium-ion batteries journal June 2000
Study of internal short in a Li-ion cell I. Test method development using infra-red imaging technique journal February 2014
A General Energy Balance for Battery Systems journal January 1985
Study of internal short in a Li-ion cell-II. Numerical investigation using a 3D electrochemical-thermal model journal February 2014
A Mathematical Model for a Lithium-Ion Battery/Electrochemical Capacitor Hybrid System journal January 2005
Development of First Principles Capacity Fade Model for Li-Ion Cells journal January 2004
Computational Study on the Solubility of Lithium Salts Formed on Lithium Ion Battery Negative Electrode in Organic Solvents journal April 2010
Mathematical modeling of the capacity fade of Li-ion cells journal September 2003
Micro-Macroscopic Coupled Modeling of Batteries and Fuel Cells journal January 1998
Local State-of-Charge Mapping of Lithium-Ion Battery Electrodes journal July 2011
Micro-Macroscopic Coupled Modeling of Batteries and Fuel Cells journal January 1998
Raman microscopy as a quality control tool for electrodes of lithium-ion batteries journal July 2001
A Model for the Behavior of Battery Separators in Compression at Different Strain/Charge Rates journal January 2014
Relaxation Phenomena in Lithium-Ion-Insertion Cells journal January 1994
Failure analysis of pinch–torsion tests as a thermal runaway risk evaluation method of Li-ion cells journal November 2014
Potential and Current Distribution in Electrochemical Cells journal January 1993
Characterizing and modeling mechanical properties and onset of short circuit for three types of lithium-ion pouch cells journal February 2014
Comparison of Modeling Predictions with Experimental Data from Plastic Lithium Ion Cells journal January 1996
Three-Dimensional Battery Architectures journal October 2004
Computational Modeling and Simulation for Rechargeable Batteries journal August 2002
Modeling of Galvanostatic Charge and Discharge of the Lithium/Polymer/Insertion Cell journal January 1993
A three-dimensional thermal abuse model for lithium-ion cells journal July 2007
A new method to study Li-ion cell safety: laser beam initiated reactions on both charged negative and positive electrodes journal July 2001
A Molecular Dynamics study of the influence of side-chain length and spacing on lithium mobility in non-crystalline LiPF6·PEOx; x=10 and 30 journal October 2009
Mathematical Modeling of the Lithium Deposition Overcharge Reaction in Lithium-Ion Batteries Using Carbon-Based Negative Electrodes journal January 1999
Effect of Additives on Shape Evolution during Electrodeposition journal January 2007
From single cell model to battery pack simulation for Li-ion batteries journal January 2009
What Are Batteries, Fuel Cells, and Supercapacitors? journal December 2004
Transition from 'supercapacitor' to 'battery' behavior in electrochemical energy storage conference January 1990
The Cathode Ray Oscillograph Applied to the Dropping Mercury Electrode journal January 1938
A new open computational framework for highly-resolved coupled three-dimensional multiphysics simulations of Li-ion cells journal January 2014
Experimental simulation of internal short circuit in Li-ion and Li-ion-polymer cells journal September 2011
Raman Microscopy of Lithium-Manganese-Rich Transition Metal Oxide Cathodes journal November 2014
Anomalous Discharge Product Distribution in Lithium-Air Cathodes journal April 2012
Modeling fractal electrodes for Li-ion batteries journal October 2009
Abuse behavior of high-power, lithium-ion cells journal January 2003
Transition from “Supercapacitor” to “Battery” Behavior in Electrochemical Energy Storage journal January 1991
Computational battery dynamics (CBD)—electrochemical/thermal coupled modeling and multi-scale modeling journal August 2002
In Situ Raman Microscopy of Individual LiNi 0.8 Co 0.15 Al 0.05 O 2 Particles in a Li-Ion Battery Composite Cathode journal January 2005
Mechanical behavior of representative volume elements of lithium-ion battery modules under various loading conditions journal February 2014
Analysis of internal short-circuit in a lithium ion cell journal October 2009
A Generalized 3D Multiphysics Model for Li-Ion Intercalation Batteries journal August 2014

Cited By (5)

Editors' Choice—Critical Review—Mathematical Formulations of Electrochemically Gas-Evolving Systems journal January 2018
Quasi-Isothermal External Short Circuit Tests Applied to Lithium-Ion Cells: Part II. Modeling and Simulation journal January 2019
Microscopic photoelectron analysis of single crystalline LiCoO2 particles during the charge-discharge in an all solid-state lithium ion battery journal August 2019
Boosting Rechargeable Batteries R&D by Multiscale Modeling: Myth or Reality? journal March 2019
Heat Generation and Thermal Transport in Lithium-Ion Batteries: A Scale-Bridging Perspective journal November 2018

Similar Records

Multiscale modeling and characterization for performance and safety of lithium-ion batteries
Journal Article · Fri Aug 21 00:00:00 EDT 2015 · Journal of Applied Physics · OSTI ID:1213991

Safer Batteries through Coupled Multiscale Modeling (ICCS 2015)
Conference · Thu Jan 01 00:00:00 EST 2015 · OSTI ID:1213991

Lithium-Ion Batteries with Safer Current Collectors
Technical Report · Sat Oct 01 00:00:00 EDT 2022 · OSTI ID:1213991