作者: V.B. Shenoy , P. Johari , Y. Qi
DOI: 10.1016/J.JPOWSOUR.2010.04.044
关键词:
摘要: Abstract Knowledge of the elastic properties Li–Si alloys as a function Li concentration is crucial in development reliable deformation and fracture mechanics models for Si anodes Li-ion batteries. Here, we have studied these using first-principles calculations both amorphous crystalline phases observed during lithiation anodes. In case alloys, present anisotropic tensors well homogenized Young's, shear, bulk moduli Poisson's ratios. We find that while decrease an approximately linear manner with increasing leading to significant softening (by about one order magnitude) systems, ratios remain range 0.05–0.20 0.20–0.30 respectively. Further, given concentration, structures are elastically somewhat softer than their counterparts, difference being more (about 30–40%) Li-poor phases. Our results underscore importance including dependence constants analysis stress fields de-lithiation