Global challenges have promoted the rapid development of rechargeable lithium battery technology. Solid-state electrolytes are less flammable than liquid electrolytes. If the ion transport behavior in solid electrolytes is well understood, the lithium dynamic stability and rate performance of solid state batteries can be accurately regulated. With the rapid development of calculation technology, atomic scale simulation technology has become an important method to understand the ion transport of materials. To solve the above problems, this review firstly summarizes the common diffusion mechanisms in solid materials. Then the transport mechanism of lithium ions in solid electrolytes is introduced, and the important factors(crystal structure, electronic structure, external factors, grain boundaries) affecting the transport of lithium ions in solid electrolytes are emphatically included. Finally, the transport mechanism of lithium ion in solid electrolytes is summarized and prospected.