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RISAgent-Based Modeling: Partitioned Density Analysis of Unidirectional Atomistic Diffusion in Li-Ion Batteries
Publisher: The American Society of Mechanical Engineers (ASME)
Abstract: Abstract. Atomic-scale simulations, such as molecular dynamics (MD) and Monte Carlo (MC), are powerful tools for uncovering microscopic diffusion mechanisms in lithium-ion batteries (LIBs). However, these methods are ...