Atomistic mechanisms of fracture in amorphous lithiated silicon

Abstract eng:
In the process of lithiation and delithiation, the destruction of silicon electrode in lithium ion battery always begins with the crack initiation. We performed atomistic simulations for the crack propagation in amorphous LixSi alloy, and found that fracture mechanism changes from intrinsic nanoscale cavitation to shear bandings in front of the crack tip. The observed mechanism transition can be understood from changing ratio between critical stresses for cavitation and plastic yield as lithium concentration increases.

• Export as: BibTeX | MARC | MARCXML | DC | EndNote | NLM | RefWorks
• Add to your basket