结构电池复合材料全电池的电化学-力学建模

IF 11.9 1区 材料科学 Q1 CHEMISTRY, PHYSICAL
Carl Larsson, Fredrik Larsson, Johanna Xu, Kenneth Runesson, Leif E. Asp
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引用次数: 0

摘要

结构电池复合材料是一种既能储存电化学能量又能承受机械载荷的多功能材料。在这项研究中,我们重点研究了Asp及其同事开发的层压结构电池设计,该电池利用多功能碳纤维作为活性材料和负极的机械增强。正极由附着在铝箔上的活性磷酸铁锂颗粒组成。在前人研究的基础上,我们建立了一个完全耦合的数值多物理场模型来模拟结构电池的充放电过程。该模型包括非线性反应动力学,与巴特勒-沃尔默关系有关。此外,我们采用了多孔正极的简化连续体表示,从而能够在电池单元水平上进行模拟。材料参数的可用实验数据在可能的情况下被利用,而剩余的参数是根据两种不同速率的实验充放电电压曲线进行校准获得的。结果表明,所建立的模型反映了不同充电速率下实验电压分布的总体趋势。通过这项工作,我们的目标是为未来的结构电池设计工作提供见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Electro-chemo-mechanical modelling of structural battery composite full cells

Electro-chemo-mechanical modelling of structural battery composite full cells

Structural battery composites are multifunctional materials capable of storing electrochemical energy and carry mechanical load at the same time. In this study, we focus on the laminated structural battery design developed by Asp and co-workers, which utilises multifunctional carbon fibres as both active material and mechanical reinforcement in the negative electrode. The positive electrode consists of active lithium iron phosphate particles adhered to an aluminium foil. Building upon previous research, we develop a fully coupled numerical multiphysics model to simulate the charge–discharge processes of the structural battery full cell. The model includes non-linear reaction kinetics, pertinent to the Butler–Volmer relation. Furthermore, we employ a simplified continuum representation of the porous positive electrode, enabling simulations at the battery cell level. Available experimental data for material parameters is utilised when possible, while the remaining parameters are obtained from calibration against experimental charge–discharge voltage profiles at two different rates. Results show that the presented model captures the general trend of the experimental voltage profiles for a range of charge rates. Through this work, we aim to provide insights for future structural battery design efforts.

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来源期刊
npj Computational Materials
npj Computational Materials Mathematics-Modeling and Simulation
CiteScore
15.30
自引率
5.20%
发文量
229
审稿时长
6 weeks
期刊介绍: npj Computational Materials is a high-quality open access journal from Nature Research that publishes research papers applying computational approaches for the design of new materials and enhancing our understanding of existing ones. The journal also welcomes papers on new computational techniques and the refinement of current approaches that support these aims, as well as experimental papers that complement computational findings. Some key features of npj Computational Materials include a 2-year impact factor of 12.241 (2021), article downloads of 1,138,590 (2021), and a fast turnaround time of 11 days from submission to the first editorial decision. The journal is indexed in various databases and services, including Chemical Abstracts Service (ACS), Astrophysics Data System (ADS), Current Contents/Physical, Chemical and Earth Sciences, Journal Citation Reports/Science Edition, SCOPUS, EI Compendex, INSPEC, Google Scholar, SCImago, DOAJ, CNKI, and Science Citation Index Expanded (SCIE), among others.
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