Gallium Nitride chips are widely used in high-frequency and high-power devices. However, Thermal management is a critical challenge for gallium nitride devices.To improve thermal dissipation of gallium nitride devices, the Nonequilibrium Molecular Dynamics method was employed to investigate the effects of operating temperature, interface size, defect density and defect types on the interfacial thermal conductance of gallium nitride/graphene/diamond heterostructure. Furthermore, the phonon state density and phonon participation ratio under various conditions were calculated to analyze the interface thermal conduction mechanism. The results indicate that interfacial thermal conductance increases with rising temperatures, highlighting the inherent self-regulating heat dissipation capabilities of heterogeneous. The interfacial thermal conductance of monolayer graphene structures increases by 2.1 times as the temperature increases from 100 K to 500 K. This is attributed to the overlap factor increases with temperature, which enhanced the phonon coupling between interfaces, leading to an increase in interfacial thermal conductance. Additionally, The study discovered that both increasing the number of layers of gallium nitride and graphene leads to reduction in interfacial thermal conductance.When the number of gallium nitride layers increases from 10 to 26, the interfacial thermal conductance decreases by 75%. The diminishing overlap factor with the increase in layer number is attributed to the decreased match of phonon vibrations between interfaces, resulting in lower thermal transfer efficiency. Similarly, when the number of graphene layers increases from 1 to 5, the interfacial thermal conductance decreases by 74%. The increase in graphene layers leads to reduction in low-frequency phonons, consequently lowering the interfacial thermal conductance. Moreover, multilayer graphene intensifies phonon localization, exacerbating the reduction in interfacial thermal conductance. The introduction of four types of vacancy defects is found to influence interfacial thermal conductance. Diamond carbon atom defects lead to increase in interfacial thermal conductance, whereas defects in gallium, nitrogen, and graphene carbon atoms result in decrease. As the defect concentration increases from 0 to 10%, Diamond carbon atom defects increased the interfacial thermal conductance by 40% due to defect scattering, which increased the number of low-frequency phonon modes and expanding the channels for interfacial heat transfer, thus ameliorating interfacial thermal conductance. Defects in graphene intensify the degree of graphene phonon localization, consequently leading to reduction in interfacial thermal conductance. Gallium and nitrogen defects both intensify the phonon localization of gallium nitride, impeding phonon transport channels. Moreover, gallium defects induce more severe phonon localization compared to nitrogen, consequently leading to lower interfacial thermal conductance. This research provides references for the manufacturing of highly reliable gallium nitride devices and the widespread use of gallium nitride heterostructures.</p>