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Abstract Background During maxillary arch expansion with a clear aligner (CA), buccal tipping of the posterior teeth often occurs, resulting in an unsatisfactory arch expansion effect. The aim of this study was to analyze the appropriate maxillary arch expansion stride length and torque compensation angle for maxillary dentition to achieve an ideal moving state when a CA was used for upper arch expansion. Methods This study established a three-dimensional (3D) finite element model including a CA, maxilla, periodontal ligament (PDL), and maxillary dentition. The stress distribution, stress situation, expansion efficiency, and movement trends of the maxillary dentition during upper arch expansion of different stride (0.1 mm, 0.2 mm, and 0.3 mm) and torque compensation (0°, 0.5°, 1°, and 1.5°) were measured. Results Maxillary arch expansion lead to buccal tilt of the posterior teeth, lingual tilt of the anterior teeth, and extrusion of the incisors. As the angle of compensation increased, the degree of buccal tilt on the posterior teeth decreased, with this reducing the efficiency of upper arch expansion. When the stride length was 0.1 mm, the torque compensation was 1.2°, and when stride length was 0.2 mm and the torque compensation was approximately 2°, there was a tendency for the posterior teeth to move bodily. However, when the stride length was 0.3 mm, the increase in torque compensation could not significantly improve the buccal tilt phenomenon. In addition, the equivalent von-Mises stress values of the maxillary root, PDL, and alveolar bone were in the same order of magnitude. Conclusions This study indicated that the posterior teeth cause a degree of buccal tilt when maxillary arch expansion is ensured. The specific torque compensation angle should be determined based on the patient’s situation and the desired effect.