Here we develop and deploy a Monte Carlo model of ion conduction to compare and contrast the theories of non-Arrhenius conductivity in glasses. In this relatively simple model ions hop between sites according Boltzmann statistics. The ions’ motion is coupled in the short range by geometrical factors, e.g., the network of interstitial sites and their occupancy, and in the long range by Coulomb interactions.

We further demonstrate that this model can be used to simulate the macroscale charging and discharging behavior of batteries. For these battery simulations, regions identified as cathode, electrolyte, and anode are identified. A jellium background charge is used in the electrolyte to maintain charge balance and used in the anode and cathode to account for the oxidation and reduction of the ions. This model accounts explicitly for the change in entropy during cycling and implicitly the overpotential that develops due to ion accumulation at the interfaces.