Using neurocomputing techniques to determine microstructural properties in a Li-ion battery

Current ab-initio approaches such as Quantum Mechanics (QM) calculations or Molecular Dynamics (MD) simulations to study the doped cathode structures are computationally expensive. In this work, we present the development and application of neural computing models to study the crystal structure of the cathode materials in Lithium-ion batteries, Lithium Manganese Oxide (LMO) in particular. We do this using LMO crystal configurations doped with …