Abstract: Single-crystal diamond tools play a crucial role in ultra-precision machining. To enhance tool performance, a multi-objective optimization scheme was proposed to identify the optimal crystal plane and grinding angle of diamond. Based on the dynamic microscopic tensile strength theory, a tensile strength fitting model for arbitrary crystal planes was established, enabling continuous and symmetric strength distribution calculations on both sides of the diamond crystal symmetry plane. By integrating a non-dominated sorting genetic algorithm, an optimization approach for the crystal plane layout and grinding angle of arc-edged tools was developed considering tool edge strength, profile accuracy and grinding efficiency. Using an arc-edged tool with a rake angle of 0°, clearance angle of 10°, and tool tip angle of 60° as a case study, the optimization results indicate that the proposed method can effectively reduce the required grinding strength, enhance edge strength, improve the strength distribution on the clearance face, and increase profile accuracy. It provides an effective theoretical basis and technical pathway for the design and fabrication of high-performance diamond tools.