The pre-research project aims to propose a method of optimizing tooth surface modification (TSM) fitting under thermoelastic lubrication (TEL) conditions to reveal the most popular and concerned mechanism issues in the field of mechanical engineering. This is an exploratory study, mainly considering the gear comprehensive error and TSM state of TEL contact interfaces are extremely harsh, which complicates simulation analysis and optimal design. TSM simulation has fitted numerically agreement with optimized results obtained experimentally, which means that they can, whether isolated or by using a multiscale coupling method, start to be adopted to revise, and verify meta-models for thermoelastic characteristics (TECs) under TEL problems. This subject involves the TSM fitting of the theoretical teeth surface superimposed structure, and performs 3D and diagonal modification optimization design, obtains the modified surface position and normal vectors, according to load teeth contact analysis (LTCA), a variety of optimized modification models are established and complex curved surfaces are analyzed to fit the actual gear teeth surface thermoelastic contact numerical simulation, which has been further demonstrated and expressed in the type experiment combined with actual key working conditions and multiple influencing parameters, which is of great significance to the development of modern gear transmission system.