Numerical calculation of lithiation-induced stress in a spherical electrode: Effect of lithiation-induced structural damage

Numerical calculation of lithiation-induced stress in a spherical electrode: Effect of lithiation-induced structural damage
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球形电极中锂化引起的应力的数值计算:锂化引起的结构损伤的影响

DOI:
10.1016/j.msea.2022.142873
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发表时间:
2022-02
期刊:
Materials Science and Engineering: A
影响因子:
--
通讯作者:
Fuqian Yang
Fuqian Yang
中科院分区:
其他
文献类型:
--
作者:
Yong Li;Fuqian Yang

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提高金属离子电池的长期稳定性需要了解电化学循环过程中电极材料的结构完整性。利用杨提出的损伤状态变量、局部浓度和溶质原子浓度梯度之间的相关性[Journal of Energy Storage 45 (2022) 103748],我们分析了在恒电位和恒电流操作下,在扩散与应力耦合的线性弹性框架下,锂化引起的结构损伤/退化对球形电极应力演化的影响。在没有浓度梯度对结构损伤/降解的贡献的情况下,对于恒电位和恒电流操作,在远离球形电极中心的空间位置处,有效应力呈现增加趋势,达到局部最大值,然后随着锂化时间的增加而减小。对于恒电位操作,最大有效应力出现在锂化开始后立即出现在球形电极的表面处;对于恒电流操作,最大有效应力出现在球形电极内部。由于恒电流操作比恒电位操作引入更小的浓度梯度,所以在恒电流操作下浓度梯度比在恒光操作下引起更少的结构损伤/退化。
The improvement of the long-time stability of metal-ion batteries requires the understanding of structural integrity of electrode materials during electrochemical cycling. Using the correlation between damage state variable, local concentration and concentration gradient of solute atoms proposed by Yang [Journal of Energy Storage 45 (2022) 103748], we analyze the effects of lithiation-induced structural damage/degradation on the stress evolution in a spherical electrode in the framework of linear elasticity with the coupling between diffusion and stress under respective potentiostatic and galvanostatic operation. Without the contribution of the concentration gradient to structural damage/degradation, the effective stress exhibits an increasing trend, reaches local maximum and then decreases with the increase of the lithiation time at a spatial position away from the center of the spherical electrode for both the potentiostatic and galvanostatic operations. The largest maximum effective stress is present at the surface of the spherical electrode immediately after the onset of the lithiation for potentiostatic operation and inside the spherical electrode for galvanostatic operation. The concentration gradient causes less structural damage/degradation under galvanostatic operation than under photentiostatic operation due to that galvanostatic operation introduces less concentration gradient than potentiostatic operation.
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