The flat end face mechanical seals are widely used in shaft sealing at moderate rotational speed. The thermal deformation of the rotating and stationary rings initiated by friction heat of fluid film should be primarily considered in the design of mechanical seal. In consideration of the coupling effect among the thermal deformation of sealing rings, the fluid flow in the gap composed by end faces of sealing rings and the heat transfer from fluid film to sealing rings, the optimum design method for flat end face mechanical seal is established. The end faces are fabricated to form a divergent gap at the inner side of the sealing rings, and a convergent gap will occur at the outer side and a parallel gap will be obtained at where the original divergent gap is due to the thermal deformation. After optimization, the leakage rate can be reduced while the bearing force of fluid film is still large enough to keep the fluid lubrication of the end faces.