Coupled electrochemical-mechanical modeling with strain gradient plasticity for lithium-ion battery electrodes
Coupled electrochemical-mechanical modeling with strain gradient plasticity for lithium-ion battery electrodes
复制标题
锂离子电池电极应变梯度塑性耦合电化学机械建模
DOI：
10.1016/j.euromechsol.2021.104230
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发表时间：
2021-05
期刊：
影响因子：
--
通讯作者：
Zengsheng Ma
中科院分区：
文献类型：
--
作者：
Yan Wang;Hui Wu;Lizhong Sun;Wenjuan Jiang;Chunsheng Lu;Zengsheng Ma
首先建立了一个球形电极的电化学反应与应变梯度塑性耦合模型，分析了锂化过程中电化学反应位错和扩散诱导应力的演化和分布。通过原位TEM观察到的几个关键特征被纳入该模型，如两相边界和高密度位错在反应前沿。结果表明，电极材料的微观结构演变会影响其力学性能和电化学性能。通过有限差分法得到的结果表明，随着锂化的进行，锂化壳的表面上的周向应力从压缩应力变为拉伸应力，这可能导致活性材料的断裂。特别是电化学反应位错区在界面前沿产生了较大的应力。此外，锂化反应表现出强烈的尺寸效应，反应前沿的移动速率随着颗粒尺寸的减小而减小。这项工作为高容量锂离子电池电极的大容量、多规模研究提供了框架。
We first present a model coupling the electrochemical reaction with strain gradient plasticity for a spherical electrode, which aims to analyze the evolutions and distributions of electrochemical-reaction dislocations and diffusion-induced stress during lithiation process. Several critical features viewed byin-situTEM are incorporated into this model, such as the two-phase boundary and high-density dislocations at the reaction front. It is shown that the microstructure evolution can impact the mechanical properties and electrochemical performances of electrode materials. The results obtained by a finite difference method indicate that, as lithiation proceeds, the circumferential stress on the surface of the lithiated shell changes from compression to tensile stress, which may cause fracture of the active materials. Especially, the electrochemical-reaction dislocation zone results in fairly large stresses at the front of the interface. Furthermore, the lithiation reaction displays a strong size effect, and the movement rate of reaction front reduces as the size of the particles decreases. This work provides a framework for large-capacity, multi-scale research on high-capacity lithium-ion battery electrodes.
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