Multiscale Lithium-Battery Modeling from Materials to Cells

New experimental technology and theoretical approaches have advanced battery research across length scales ranging from the molecular to the macroscopic. Direct observations of nanoscale phenomena and atomistic simulations have enhanced the understanding of the fundamental electrochemical processes...

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Главные авторы: Li, G, Monroe, CW
Формат: Journal article
Язык:English
Опубликовано: Annual Reviews 2020
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author Li, G
Monroe, CW
author_facet Li, G
Monroe, CW
author_sort Li, G
collection OXFORD
description New experimental technology and theoretical approaches have advanced battery research across length scales ranging from the molecular to the macroscopic. Direct observations of nanoscale phenomena and atomistic simulations have enhanced the understanding of the fundamental electrochemical processes that occur in battery materials. This vast and ever-growing pool of microscopic data brings with it the challenge of isolating crucial performance-decisive physical parameters, an effort that often requires the consideration of intricate interactions across very different length scales and timescales. Effective physics-based battery modeling emphasizes the cross-scale perspective, with the aim of showing how nanoscale physicochemical phenomena affect device performance. This review surveys the methods researchers have used to bridge the gap between the nanoscale and the macroscale. We highlight the modeling of properties or phenomena that have direct and considerable impact on battery performance metrics, such as open-circuit voltage and charge/discharge overpotentials. Particular emphasis is given to thermodynamically rigorous multiphysics models that incorporate coupling between materials’ mechanical and electrochemical states.
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spelling oxford-uuid:3cc7d03d-c90e-4ffc-8d4a-47045771d4d42022-03-26T14:15:39ZMultiscale Lithium-Battery Modeling from Materials to CellsJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:3cc7d03d-c90e-4ffc-8d4a-47045771d4d4EnglishSymplectic ElementsAnnual Reviews2020Li, GMonroe, CWNew experimental technology and theoretical approaches have advanced battery research across length scales ranging from the molecular to the macroscopic. Direct observations of nanoscale phenomena and atomistic simulations have enhanced the understanding of the fundamental electrochemical processes that occur in battery materials. This vast and ever-growing pool of microscopic data brings with it the challenge of isolating crucial performance-decisive physical parameters, an effort that often requires the consideration of intricate interactions across very different length scales and timescales. Effective physics-based battery modeling emphasizes the cross-scale perspective, with the aim of showing how nanoscale physicochemical phenomena affect device performance. This review surveys the methods researchers have used to bridge the gap between the nanoscale and the macroscale. We highlight the modeling of properties or phenomena that have direct and considerable impact on battery performance metrics, such as open-circuit voltage and charge/discharge overpotentials. Particular emphasis is given to thermodynamically rigorous multiphysics models that incorporate coupling between materials’ mechanical and electrochemical states.
spellingShingle Li, G
Monroe, CW
Multiscale Lithium-Battery Modeling from Materials to Cells
title Multiscale Lithium-Battery Modeling from Materials to Cells
title_full Multiscale Lithium-Battery Modeling from Materials to Cells
title_fullStr Multiscale Lithium-Battery Modeling from Materials to Cells
title_full_unstemmed Multiscale Lithium-Battery Modeling from Materials to Cells
title_short Multiscale Lithium-Battery Modeling from Materials to Cells
title_sort multiscale lithium battery modeling from materials to cells
work_keys_str_mv AT lig multiscalelithiumbatterymodelingfrommaterialstocells
AT monroecw multiscalelithiumbatterymodelingfrommaterialstocells