Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method

IF 8.7 2区 工程技术 Q1 Mathematics Engineering with Computers Pub Date : 2024-08-13 DOI:10.1007/s00366-024-02016-9
Kristen Susuki, Jeffery Allen, Jiun-Shyan Chen
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Abstract

An interface-modified reproducing kernel particle method (IM-RKPM) is introduced in this work to allow for a direct model construction from image pixels of heterogeneous polycrystalline Li-ion battery microstructures. The interface-modified reproducing kernel (IM-RK) approximation is constructed through scaling of a kernel function by a regularized distance function in conjunction with strategic placement of interface node locations. This leads to RK shape functions with either weak or strong discontinuities across material interfaces, suitable for modeling various interface mechanics. With the placement of a triple junction node and distance-based scaling of kernel functions, the resulting IM-RK shape function also possesses proper discontinuities at the triple junctions. This IM-RK approximation effectively remedies the well-known Gibb’s oscillation in the smooth approximation of discontinuities. Different from the conventional meshfree approaches for interface discontinuities, this IM-RK approach is done without additional degrees of freedom associated with the enrichment functions, and it is formulated with the standard procedures in the RK shape function construction. This work focuses on identifying the accuracy and convergence properties of IM-RKPM for modeling the coupled electro-chemo-mechanical system. A linear patch test is formulated and numerically tested for the electro-chemo-mechanical coupled problem with a Butler–Volmer boundary condition representing the physical conditions in Li-ion battery microstructures. This is followed by verification of the optimal rates of convergence of IM-RKPM for solving the coupled problem with higher order solutions. The image-based modeling of Li-ion battery microstructures in the numerical examples demonstrates the applicability of the proposed method to realistic Li-ion battery materials modeling.

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基于图像的锂离子电池阴极电-热-机械耦合行为建模(采用界面修正再现核粒子法
本研究引入了一种界面修正再现核粒子法(IM-RKPM),可从异质多晶锂离子电池微结构的图像像素直接构建模型。界面修正再现核(IM-RK)近似是通过正则化距离函数对核函数进行缩放,并结合界面节点位置的战略布局来构建的。这使得 RK 形状函数在材料界面上具有弱或强的不连续性,适用于各种界面力学建模。通过放置三重交界节点和基于距离的核函数缩放,得到的 IM-RK 形状函数在三重交界处也具有适当的不连续性。这种 IM-RK 近似方法有效地解决了非连续性平滑近似中众所周知的吉布斯振荡问题。与传统的无网格界面不连续性方法不同的是,这种 IM-RK 方法不需要与富集函数相关的额外自由度,而且是用 RK 形状函数构造的标准程序来制定的。这项工作的重点是确定 IM-RKPM 的精度和收敛特性,以模拟耦合的电-化-机系统。针对带有代表锂离子电池微结构物理条件的 Butler-Volmer 边界条件的电气-化学-机械耦合问题,制定了线性补丁测试并进行了数值测试。随后验证了 IM-RKPM 在求解具有高阶解的耦合问题时的最佳收敛速率。数值示例中基于图像的锂离子电池微结构建模证明了所提出的方法适用于现实的锂离子电池材料建模。
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来源期刊
Engineering with Computers
Engineering with Computers 工程技术-工程:机械
CiteScore
16.50
自引率
2.30%
发文量
203
审稿时长
9 months
期刊介绍: Engineering with Computers is an international journal dedicated to simulation-based engineering. It features original papers and comprehensive reviews on technologies supporting simulation-based engineering, along with demonstrations of operational simulation-based engineering systems. The journal covers various technical areas such as adaptive simulation techniques, engineering databases, CAD geometry integration, mesh generation, parallel simulation methods, simulation frameworks, user interface technologies, and visualization techniques. It also encompasses a wide range of application areas where engineering technologies are applied, spanning from automotive industry applications to medical device design.
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