This study proposes a novel multi-scale numerical approach to explore the mechanical behavior and damage evolution in nickel (Ni)-based superalloys containing various carbide particles. At the nanoscale, the elastic properties of two distinct carbides are determined using first-principles calculations. At the microscale, finite element simulations (FEM) in ABAQUS are used to analyze the stress–strain relationship and local stress distribution within a three-dimensional representative volume element, as well as damage and fracture behavior. The model integrates the elastic–plastic response of the Ni matrix, the elastic-brittle fracture of micro-scale carbides, and the interface behavior between carbide and matrix. FEM findings are consistent with tensile test data, indicating that skeletal carbide promotes plasticity while blocky carbide elevates strength. The interface between blocky carbide and matrix is susceptible to cracking. When the carbide is oriented at 45° to the load direction, offering a balance of strength and plasticity. Stress concentration is reduced when carbides are uniformly distributed and present in high-volume fractions. The numerical method is well-suited for a thorough analysis of the comprehensive behavior of reinforced phase/metal-matrix composites.
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