837
Numerical Study of the Effect of Stress on Diffusion in Silicon Nanowires

Tuesday, 21 June 2016
Riverside Center (Hyatt Regency)
F. Mashayek, A. Ramasubramanian (University of Illinois at Chicago), A. Khounsary (Illinois Insitute of Technology), R. Shahbazian-Yassar (University of Illinois at Chicago), and A. Najafi (ANSYS. Inc)
Silicon is widely recognized as a promising anode material for a new generation of high capacity lithium (Li)-ion batteries due to its high energy density. However, silicon anodes have limited applications due to the large volume change (about 300%) associated with the lithiation process. This large swelling causes cracking and pulverization of the anode resulting in a loss of electrical contact and sudden fading of capacity. Recent research has revealed that the problems caused by the electrode deformations can be remedied through better electrode geometry design. Numerical models will greatly facilitate this design process. Although from a theoretical perspective, different macroscopic scale models have been proposed regarding the stress evolution in these electrodes, the effect of stress on the kinetics of lithium diffusion is poorly understood. Thus a clear understanding of the stress evolution on kinetics of diffusion in such electrodes is very crucial. Here, we report on the development of a coupled - diffusion / expansion model which is solved using finite element analysis. The model incorporates the effect of stress on the diffusion rate, using a non-linear diffusivity relationship. The effect of stress on the kinetics of lithiation is well captured and is discussed in detail. The - structural changes in different electrode geometries such as nanospheres, nanowires, and thin films are demonstrated, are shown to be in good agreement with the experiments results in the literature.