Abstract
In this study, a numerical modeling framework is developed to model and predict the morphological evolution in lithium metal batteries. A two-dimensional moving boundary model is used to simulate the dendritic growth from a nucleated lithium metal protrusion at the surface of the negative electrode. Depending on the geometric, kinetic, and transport parameters, the growth rate and shape of the lithium seed varies and in turn, affects the cyclability and capacity loss of the battery. Compared to conventional approaches, the proposed approach enables simulation of 100 cycles of charge-discharge in less than 1 minute. This robust model and algorithm for predicting metal deposition and stripping in lithium metal batteries brings together the mesoscale and electrochemical models and can pave the path towards specifically tailored dendrite-free morphological evolution to make lithium metal anodes viable in commercial systems.
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