With the development of power plant units of higher capacity and with improved parameters, the proportion of high-capacity units for generating power has increased; this requires large capacity units to take responsibility for power-grid peak shaving. When the boiler operates at low loads, the working fluid in the boiler water wall tubes is subjected to high heat flux in the furnace, which can cause heat transfer deterioration, tube overheating or even leakage. Therefore, it is particularly important to study the reliability of the boiler hydrodynamic cycle during peak shaving (low load operation). This study takes a 1000 MW ultra-supercritical single-reheat Π type boiler with single furnace and double tangential firing as the research object. A furnace Computational Fluid Dynamics (CFD) and hydrodynamic coupling analysis model is established and verified according to the actual operating conditions on site. The calculation results show that the simulated value is in good agreement with the actual operating value. Therefore, the model established in this study can reflect the real situation of the on-site furnace to a certain extent, and has high reliability. Based on the fitting results, the causes of steam temperature deviation of the boiler water wall are analyzed, and measures to reduce the deviation are proposed to provide a necessary basis for power plant operation and boiler design.