Objective To analyze the mechanical effect of invisible appliances with different material hardness and provide theoretical basis for selecting the suitable material for invisible appliance and its clinical application. Methods Three different three-dimensional (3D) finite element models of invisible appliance were established, of which the elastic modulus was chosen as 415.6, 816.308 and 2 400 MPa, respectively. In these models, the upper central incisors were all designed to move 0.3 mm mesially. Then 3D nonlinear finite element method was used to analyze the stress-distribution in invisible appliance, teeth and periodontal ligament and the instant displacement of every tooth. The comparative study was made among three invisible appliances with different hardness． Results Under experimental condition, the most instant stress and displacement of teeth was the upper central incisor, with initial displacement greater in crown section than that in apical section and the greatest displacement was 0.17 mm. The tendency of central incisor movement was tipping in all situations. The movement of lateral incisor had the second greatest distance (the greatest displacement was 0.10 mm) and the tendency of its movement was in the opposite directions of aimed teeth. When elastic modulus of material decreased, the stress on the invisible appliance increased. The stress in periodontal ligament and the displacement of aimed teeth were also increased. Conclusions If the hardness of invisible appliance increases, the displacement of the designed tooth and treatment efficacy increases, but the appliance with more hardness couldn’t provide better ability in controlling of orthodontic tooth movement. The study suggested clinicians should use attachments or cooperate with fixed appliance to help move teeth bodily.