Electrochemical-mechanical modeling of solid polymer electrolytes: Impact of mechanical stresses on Li-ion battery performance

We analyze the effects of mechanical stresses arising in a solid polymer electrolyte (SPE) on the electrochemical performance of the electrolyte component of a lithium ion battery. The SPE is modeled with a coupled ionic conduction-deformation model that allows to investigate the effect of mechanical stresses induced by the redistribution of...

Characterization of the structural response of a lithiated SiO₂ / Si interface: A reactive molecular dynamics study

We report the results of a computational study regarding the mechanical properties of a lithiated Si/SiO2 interface using reactive molecular dynamics. The study is motivated by an intended application of SiO2-coated Si<br/>nanotubes as fibers in structural batteries with a fiber-reinforced composite architecture while serving as anodes....