Abstract: In this paper, the dynamics of a single neutrally buoyant spherical particle in three-dimensional lid-driven cavity flow is simulated by the multiple-relaxation time lattice Boltzmann method. The effects of initial position, particle size and Reynolds number are considered. For the cases with symmetric boundary conditions in the spanwise direction, it is found that the initial position of the particle critically affects its final trajectory. According to the phase diagram, it's roughly divided into three regions, the outer stable region, the inner stable region and the vortex center region. The mechanisms for the dynamics of particle on the stable limit cycle trajectory are explained by the force decomposition. In addition, a clockwise rotating motion of particle on the limit cycle trajectory is described in detail. With the increase of Reynolds number, the particle gradually approaches to the periphery, continuously rotates to reach the corresponding limit cycle trajectory. For the selected initial position, we observe that large particle migrates outward at higher Reynolds number, while the limit cycle of large particle at lower Reynolds number is close to vortex core. As for the cases of confined solid walls with no-slip boundaries, the limit cycle is independent of the initial positions of the particle. The limit cycle orbit tends to migrate outward with the increases of Reynolds number, except the top left corner of the cavity, and it will shrink if the particle’s size increases.