Abstract: Using molecular dynamics simulation, the influence of the thickness of the carbide interface layer, the position of the thermal bath of the system, the crystal orientation, temperature and strain on the interfacial thermal conductance(ITC) of the titanium carbide coated copper/diamond composites were qualitatively analyzed from a microscopic point of view. The results show that the interfacial thermal conductance of the composites first increases and then decreases with the increase of the thickness of the titanium carbide interface layer, which is consistent with the change trend of the experimental data.When the titanium carbide interface layer is three layers, the interfacial thermal conductance of the composite is the best. The simulation analysis was performed by setting up the different heat bath positions of the system, it is found that it has little effect on heat conduction.The simulation results show that increasing the temperature and compressive strain can improve the interfacial thermal conductance of the composites. The research results provide a theoretical reference for further understanding and optimizing the interfacial thermal conductance of copper/diamond composites.