A systematic investigation of cycle number, temperature and electric field strength effects on Si anode

•Deformation behavior and microstructure evolution of Si anode are analyzed by MD simulations.•Effects of cycling number, crystal orientation, temperature and electric field strength are explored.•Considering surface stress, analytical modeling of diffusion-induced stress is established.•Number and radius of nanovoid depend upon cycling number, temperature and electric field strength.•Surface morphology of Si electrode relies on cycling number and temperature as well as electric field strength.