Abstract
This study proposes a novel strategy based on a CALPHAD/MD coupling model to reveal the influence of microstructure evolution on the mechanical properties of Cu-Pb-(Sn) alloys. The CALPHAD method is utilized to calculate the phase composition and fraction of Cu-Pb-(Sn) alloys, followed by the establishment of MD geometric models to simulate the actual microstructure evolution. The results demonstrate that the addition of Sn promotes the transformation of secondary phases (SPs) from a continuously reticular to a dispersedly granular morphology, significantly enhancing the strength and ductility of the alloys. By conducting MD tensile simulations on SPs with different morphologies, this study further elucidates the mechanism by which the evolution of SP morphology impacts the mechanical properties of the alloys. The final MD simulation results are in excellent agreement with experimental data, validating the effectiveness of the proposed model. This work provides new insights into the relationship between microstructure and mechanical properties in Cu-Pb-(Sn) alloys and offers a reference for the study of other alloy systems.
Published Version
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