Fuel atomization plays an important role in premixed combustion of aero-engine. In order to improve the atomization characteristics of an aviation fuel nozzle and optimize its structural parameters, the volume of fluid (VOF) interface capture algorithm and orthogonal experimental design were used to study the influence of internal flow and structural parameters (expansion angle, length of straight section, rise angle of swirl groove, and number of swirl groove) on the atomization characteristics. The results show that the local vortex on the swirl groove affects the fuel flow in the nozzle, and the local pressure loss can be eliminated by changing the structure of the swirl groove inlet. The number of swirl grooves has the most significant effect on Sauter mean diameter (SMD), the expansion angle is the biggest factor affecting the atomization cone angle, there is an optimal swirl groove elevation angle to minimize the oil film thickness, and the length of straight section has relatively little effect on the atomization characteristics. When the expansion angle is 60°, the length of straight section is 0.25 mm, the rising angle of swirl groove is 45°, the number of swirl grooves is 2, and the optimization effect is the best. After optimization, the oil film thickness decreases by 43.68%, the atomization cone angle increases by 3.70%, and the SMD decreases by 14.79%.