Solid-state Lithium-ion (Li-ion) batteries can revolutionize battery performance due to their inherent safety, high voltage stability, and high conductivity. As the field grows, there is a need for computational tools that can allow engineers to explore the effects of material and geometry and their subsequent impact on battery performance as demonstrated in recent research.¹ This will enable optimization of a given battery design without the need for expansive experimental tests. In this poster, we summarize the key components that are needed to enable a multi-physics modeling framework and highlight our initial progress. We use a three-dimensional (3D) computational framework called AMPERES,² developed at Oak Ridge National Laboratory (ORNL), as a case study to examine the requirements of modeling the electrode-electrolyte interface of solid-state Li-ion batteries. Because AMPERES enables one to model arbitrary battery and electrode configurations, we also illustrate potential 3D architectures that can enhance battery performance. Longer term, our goal is to create a framework that enables rapid design, manufacture, and testing of new electrode architectures for solid-state Li-ion batteries with a focus on both current and emerging chemistries.

References

1. C. L. Cobb and S. E. Solberg, J. Electrochem. Soc., 164, A1339–A1341 (2017).
2. S. Allu et al., J. Power Sources, 325, 42–50 (2016).