Surrogate-accelerated parameterisation of physics-based Li-ion battery models

Abstract

Physics-based lithium-ion battery models provide access to physically meaningful internal electrochemical states and processes, but cell-specific parameter inference from terminal current-voltage data is computationally expensive and limited by identifiability. We present a surrogate-accelerated inverse framework based on a single-particle model with electrolyte dynamics (SPMe). Its forward map uses our Artiphy surrogate framework for rapid, differentiable evaluation of voltage and selected internal states. After rescaling to remove exact structural redundancies, we infer non-redundant transport, kinetic and capacity parameter groups, including concentration-dependent solid and electrolyte diffusivities. Synthetic voltage data from a Doyle-Fuller-Newman (DFN) model under a WLTP-like current protocol provide a benchmark with known reference parameters and controlled model discrepancy. The inferred SPMe reproduces the benchmark voltage with an error of order 1 mV and recovers electrode capacities well. Positive-electrode diffusivity is recovered accurately over much of the probed stoichiometric range. Local sensitivity and Fisher-information analysis identifies correlated kinetic-Ohmic and electrolyte-transport directions, and shows how localised information and the global diffusivity parameterisation can yield narrow Fisher-curvature envelopes despite weak voltage sensitivity to negative-electrode diffusion over much of the drive cycle. These results represent a step towards rapid physics-based in-silico parameterisation and reduced reliance on destructive cell characterisation.