A Cellular Automaton Simulation for Predicting Phase Evolution in Solid-State Reactions
Published in Chemistry of Materials, 2024
We present a cellular automaton simulation framework for predicting phase evolution during solid-state reactions. The approach enables high-throughput screening of reaction pathways and is demonstrated on a range of battery-relevant oxide and sulfide systems.
Recommended citation: Gallant, M.C., McDermott, M.J., Li, B., Persson, K.A. (2024). "A Cellular Automaton Simulation for Predicting Phase Evolution in Solid-State Reactions." Chemistry of Materials, 37(1), 210–223.
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