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Related Experiment Video

Updated: Dec 25, 2025

Identification and Quantification of Decomposition Mechanisms in Lithium-Ion Batteries; Input to Heat Flow Simulation for Modeling Thermal Runaway

Identification and Quantification of Decomposition Mechanisms in Lithium-Ion Batteries; Input to Heat Flow Simulation for Modeling Thermal Runaway

Published on: March 7, 2022

Multiscale Lithium-Battery Modeling from Materials to Cells.

Guanchen Li^1,2, Charles W Monroe^1,2

¹Department of Engineering Science, University of Oxford, Oxford OX1 3PJ, United Kingdom;

Annual Review of Chemical and Biomolecular Engineering

|March 28, 2020

Summary

This summary is machine-generated.

Advanced battery research uses cross-scale modeling to link molecular phenomena to device performance. This approach connects nanoscale processes to macroscopic metrics like voltage and overpotentials for better battery design.

Keywords:

lithium-ion battery multiscale modeling transport theory

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Last Updated: Dec 25, 2025

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Area of Science:

Materials Science
Electrochemistry
Computational Science

Background:

Battery research is advancing with new experimental and theoretical methods across molecular to macroscopic scales.
Understanding fundamental electrochemical processes in battery materials is enhanced by nanoscale observations and atomistic simulations.
Microscopic data presents challenges in identifying key physical parameters affecting battery performance due to complex interactions across scales.

Purpose of the Study:

To review methods bridging nanoscale and macroscale understanding in battery research.
To highlight modeling approaches for phenomena impacting battery performance metrics.
To emphasize physics-based models integrating mechanical and electrochemical states.

Main Methods:

Cross-scale modeling integrating molecular and macroscopic perspectives.
Atomistic simulations and direct nanoscale observations.
Development of multiphysics models incorporating mechanical-electrochemical coupling.

Main Results:

Identification of crucial physical parameters influencing battery performance.
Demonstration of how nanoscale phenomena impact device-level metrics.
Highlighting the importance of coupled mechanical and electrochemical modeling.

Conclusions:

Effective battery modeling requires a cross-scale perspective.
Physics-based models are essential for understanding battery performance.
Multiphysics models incorporating material mechanics offer rigorous insights into battery behavior.