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Analysis of Li-ion Diffusion in Solid-State Batteries
We quantify Li-ion transport in oxide-type solid electrolytes by combining first-principles or all-atom MD with AI extrapolation. Short MD/DFT trajectories provide accurate early-time mean-squared displacement (MSD). An AI…
Electrode Calendering Process
Using the Discrete Element Method (DEM), compression and subsequent elongation of a dry electrode powder layer are simulated to represent the calendering step. From the simulated packing states,…
J-OCTA : Integrated System for Multiscale Modeling and Simulation
J-OCTA is the commercial platform built around OCTA, a multi-scale simulation system originating from a Japanese national project. It couples polymer/soft-matter solvers with a simple GUI and Python…
Slurry-Coating Process for Electrode Systems
Coarse-grained molecular dynamics captures solvent evaporation and particle consolidation during slurry coating (courtesy of Toyota Motor Corporation) . As the solvent leaves, active-material particles and conductive additives rearrange…