In order to research the mechanical properties of the blend of polytetrafluoroethylene (PTFE) and polyetheretherketone (PEEK) from the micro perspective,based on the molecular dynamics (MD) simulation research method,the PTFE/PEEK composite system with gradient ratio was established and the mechanical properties were simulated by 〖JP2〗the material studio (MS)simulation platform with the method of molecular dynamics.The young’s modulus,bulk modulus and shear modulus of PTFE/PEEK〖JP〗 blend were measured by constant strain method.The mechanical properties of PTFE/PEEK composites with different ratios were compared and analyzed.The MS simulation results show that with the increase of PEEK content,the mechanical properties of the composite increase and then decrease significantly,and the mechanical properties of PTFE/PEEK blend with the ratio of 90/10 are the best.The simulation results are in good agreement with the existing experimental results,which verifies the correctness of the simulation research method and provide theoretical reference for the subsequent modification of PTFE/PEEK blends.