Abstract
This study presents a comparative investigation of MgCu intermetallic compounds, CuCoMnSn Heusler alloys, and carbon steel for spur gear applications using a novel tooth contact analysis (TCA) method. The TCA employs a nonlinear two-variable equation, providing a fast and accurate computational tool for evaluating gear contact behavior. By integrating material-specific elastic properties from density functional theory (DFT) studies, the analysis predicts contact paths, stress distributions, and responses to angular misalignments. Material selection strongly influences gear performance: MgCu is promising for lightweight applications, while CuCoMnSn is better suited where mechanical performance is prioritized. The CuCoMnSn alloy also exhibits half-metallic ferromagnetic behavior, offering potential functional advantages beyond mechanical performance. These results highlight the promise of intermetallics and Heusler alloys for high-performance, misalignment-tolerant gears and demonstrate the effectiveness of combining DFT-informed material modeling with the novel TCA method for optimized spur gear design.