A novel DEM-based framework for engineering material selection : synthesizing elastic modulus, tensile strength and fracture toughness

Abstract

Engineering materials can suddenly fail through brittle fracture, posing substantial safety concerns for infrastructure projects. To address this critical issue, this research introduces a comprehensive framework that integrates three key components: advanced numerical modeling techniques, comprehensive validation procedures, and systematic property analysis for effective material selection. The foundation of this framework is built upon an improved discrete element model (DEM) with a dual-sphere configuration, which successfully overcomes previous limitations in displacement field calculations through optimized particle positioning. The effectiveness of this enhanced DEM has been rigorously validated through multiple comprehensive studies. Specifically, in elastic behavior tests using plates with circular holes, the displacement fields simulated by the DEM demonstrated exceptional agreement with finite element analysis, achieving an average relative error of only 5.1 %. Further validation through Brazilian splitting and three-point bending tests showed strong correlations with experimental observations, achieving peak loads of 5.3 kN and 1 kN respectively, while accurately reproducing crack propagation patterns. Building upon this robust numerical foundation, the framework then systematically develops a three-dimensional constrained materials space through an extensive series of 63 compact tension test simulations, incorporating key parameters such as elastic modulus (51.52–469 GPa), tensile strength (257.6–551.7 MPa), and numerical fracture toughness (0.13–9.08 kJ/m 2 ). The reliability of these established relationships is further validated through their alignment with established Ashby map trends and verification of consistency between the fitted equation and process zone equation. Ultimately, this framework enables precise positioning of materials on characteristic surfaces within well-defined three-dimensional boundaries, providing clear and practical criteria for material selection. To facilitate practical implementation, a comprehensive workflow has been developed that guides user through three sequential steps: engineering requirement assessment, material space construction, and material screening based on technical, economic, and practical constraints. This framework bridges theoretical foundations with practical considerations, enabling it to serve as a reliable engineering tool while maintaining the flexibility to accommodate diverse materials and scenarios.