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中文核心期刊

基于相场理论模拟重要因素对固态电解质中锂枝晶生长的影响

THE EFFECT OF IMPORTANT FACTORS ON THE GROWTH OF LITHIUM DENDRITES IN SOLID ELECTROLYTE WAS SIMULATED BASED ON PHASE FIELD THEORY

  • 摘要: 锂枝晶的生长是固态电池安全性面临的重要挑战之一. 为了深入探讨锂枝晶的形成机制, 建立了电化学-力学耦合的相场模型, 以模拟重要因素对固态电解质中锂枝晶生长的影响. 该研究模拟了锂离子浓度场、电势场以及应力场的动态分布, 揭示了各向异性强度、反应常数、外界压力、环境温度以及初始成核形状等重要因素对锂枝晶生长形貌的影响规律, 并与针状和苔藓状枝晶的形态特征进行了对比分析. 结果表明: 降低各向异性强度和反应常数能在一定程度上抑制锂枝晶的生长;增大外压和提高环境温度均能有效抑制锂枝晶的生长; 锂枝晶的初始成核形状会显著影响其分支方向. 对比3种不同形态的锂枝晶可知, 针状枝晶分支较少, 且应力主要集中在枝晶根部; 而苔藓状枝晶由于具备更高的空间生长自由度, 其分支结构更大, 在生长过程中会形成更高的内部应力水平; 树枝状枝晶则介于针状和苔藓状枝晶之间, 分支与应力分布较均匀. 本研究对优化固态电池的设计及提升其安全性具有重要意义.

     

    Abstract: The growth of lithium dendrites is one of the important challenges for the safety of solid-state batteries. In order to further investigate the formation mechanism of lithium dendrites, a phase field model of electrochemic-mechanical coupling was established to simulate the influence of important factors on the growth of lithium dendrites in solid electrolyte. In this study, the dynamic distribution of lithium ion concentration field, electric potential field and stress field was simulated, and the influence of anisotropy intensity, reaction constant, external pressure, ambient temperature and initial nucleation shape on the growth morphology of lithium dendrites were revealed, and the morphological characteristics of needle and moss dendrites were compared. The results show that reducing the anisotropy intensity and reaction constant can inhibit the growth of lithium dendrites to a certain extent. The growth of lithium dendrites can be effectively inhibited by increasing external pressure and ambient temperature. The initial nucleation shape of lithium by in creasing external pressure and ambient temperature. The initial nucleation shape of lithium dendrit- es can significantly affect their branching direction. The comparison of the three different forms of lithium dendrites shows that the acicular dendrites have fewer branches, and the stress is mainly concentrated in the dendrite root. Mossy dendrites have larger branch structure due to their higher spatial freedom of growth and higher internal stress level during growth. Dendritic dendrites are intermediate between acicular dendrites and moss dendrites, with uniform distribution of branches and stresses. This study is of great significance for optimizing the design of solid-state batteries and improving their safety.

     

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