论文标题
可充电锂金属电池中树突形成的三维实验尺度相位模型
Three-dimensional experimental-scale phase-field modelling of dendrite formation in rechargeable lithium-metal batteries
论文作者
论文摘要
我们对电沉积工艺进行相位模拟，该过程在金属阳极电池内形成树突，包括各向异性表示。我们描述了相位场的演变，锂离子浓度和电势在电池充电周期内使用具有自动时间段调整的时间构造算法求解方程，并在开源有限元库上实现。提出并通过不同的数值测试对相位场电沉积模型模型进行了修饰的晶体表面各向异性表示，并评估了对数值参数的低灵敏度。树突形态行为的变化是通过模拟电极间距离的变化来捕获的。提出了一组仿真来验证提议的配方，显示了它们与实验观察到的树突生长速率的一致性，以及文献中报道的形态学。
We perform phase-field simulations of the electrodeposition process that forms dendrites within metal-anode batteries including anisotropic representation. We describe the evolution of a phase field, the lithium-ion concentration, and an electric potential, during a battery charge cycle, solving equations using time-marching algorithms with automatic time-step adjustment and implemented on an open-source finite element library. A modified lithium crystal surface anisotropy representation for phase-field electrodeposition model is proposed and evaluated through different numerical tests, exhibiting low sensitivity to the numerical parameters. Change of dendritic morphological behaviour is captured by a variation of the simulated inter-electrode distance. A set of simulations are presented to validate the proposed formulation, showing their agreement with experimentally-observed lithium dendrite growth rates, and morphologies reported in the literature.
