The dynamic and energetic properties of the alkali and halide ions were calculated using molecular dynamics (MD) and free energy simulations with various different water and ion force fields including ...

Abstract: A battery model predicts the battery performance, which can be a useful tool for optimizing battery design and preventing unsafe operation. This becomes especially significant in second-life ...

Abstract: The thermal runaway (TR) is one of the most dangerous phenomena related to lithium-ion batteries. For this reason, there are different proposals in the literature for its modelling. Most of ...