The forming mechanism of hole flanging on a thick-wall heavy cylinder forging is simulated by DEFORM3D. The cylinder is 4 390 mm in diameter and 390 mm in thickness. The results show that the compound deformation with bending and expanding happens in the process of hole flanging. The diameter of pre-hole of the workpiece is one of the key parameters in the process of hole flanging. The optimal diameter is obtained for reverse-conical hole of average diameter 40 mm by simulation of hole flanging process on 5 pre-holes with different diameters and 3 pre-holes with different shapes. The results can provide the scientific base for engineering application of the process. The forming mechanism of hole flanging on a thick-wall heavy cylinder forging is simulated by DEFORM3D. The cylinder is 4 390 mm in diameter and 390 mm in thickness. The results show that the compound deformation with bending and expanding happens in the process of hole flanging. The diameter of pre-hole of the workpiece is one of the key parameters in the process of hole flanging. The optimal diameter is obtained for reverse-conical hole of average diameter of 40 mm by simulation of hole flanging process on 5 pre-holes with different diameters and 3 pre-holes with different shapes. The results can provide the scientific base for engineering application of the process.