2025 AIChE Annual Meeting

(439f) CFD-DEM Simulation of NMC622 Particles in Cold Spray Deposition for the Fabrication of Solid-State Batteries

Authors

Eunjeong Kim, Lawrence Livermore National Laboratory
Nadira Surghani, Lawrence Livermore National Laboratory
Harry Radousky, Lawrence Livermore National Laboratory
Sohail Mohammed, Florida International University
Ambreen Nisar, Florida International University
Denny John, Florida International University
Arving Agarwal, Florida International University
Alexander Baker, Lawrence Livermore National Laboratory
Jennifer Curtis, University of California Davis
The fabrication of Solid-State Batteries (SSBs) faces challenges related to slow manufacturing processes, scalability issues, unstable interfaces, and elevated costs. Cold-spray deposition presents a promising solution for battery fabrication due to its advantages such as a high deposition rate, simple multi-layer fabrication, the ability to bond dissimilar materials, and adaptability to coat different geometries. In this study, Computational Fluid Dynamics (CFD), in conjunction with experiments conducted at Lawrence Livermore National Laboratory (LNLL), is used to assess the impact of cold spray process parameters, including pressure, temperature, and gas carrier, on NMC622 particles. A 3-D nozzle model, utilizing helium or nitrogen as the carrier gas, is employed to develop the flow field in which NMC622 particles are accelerated. At the nozzle exit, a radial decrease in mass concentration is observed, which mimics the conical-shape deposit seen in experiments. As temperature increases, an increase in coating density is observed, which simulations attribute this change to an increase in particle velocities. The particle exit angles from the nozzle in the simulation correspond to the size of the deposit’s cross-sectional area. Smaller particles (<10μm) present a lower exit angle due to their low Stokes number, while larger particles (>10μm) experience more particle-wall collisions, resulting in higher exit angles. The effect of particle properties and spray conditions on the cold spray deposition mechanism is evaluated using Discrete Element Method (DEM) modelling, where particles are presented as constituent spheres held together by elastic-plastic bonds that can break, twist, and stretch.

Prepared by LLNL under Contract DE-AC52-07NA2