The current carbon-based lithium-ion battery anode is facing a bottleneck due to its natural limitation on storing lithium ions. Abundant silicon (Si) is considered the most promising anode material for surpassing the theoretical capacity limit of carbonaceous anodes. However, Si can expand by 300% during lithiation, initiating cracks and even fractures and eventually leading to battery failure [2]. In this study, a multiphysics model based on the phase field method and coupled physics of solid mechanics, mass transport was developed to simulate the fracture behaviours of a single silicon particle during lithiation/delithiation. The simulations were conducted using multiphysics simulation software, COMSOL Multiphysics, and the model was validated by comparing simulation results with experimental results. The study investigated the effects of particle diameter, charge rate, initial crack length, and crack types on the fracture behaviour. The results showed that the increase in charge rate, particle diameter, and initial crack length leads to larger cracking rates and faster fracturing of the particle. Also, the initial surface crack and horizontal crack caused more serious fracturing than the internal crack and vertical crack, respectively. Then, a validated contour map of the Si particle’s fracture behaviours was developed, and the fatigue damage under low charge rates was studied. Finally, to alleviate the particle fracture, nanoholes were introduced in the particle, and the influence of nanoholes on the fracture behaviours was investigated. The study provide guidance for the design of lithium-ion batteries with Si-based anodes.