Multiscale modeling of grain boundary-mediated damping capacities in polycrystalline metals

XF Wang and S Qian and JH Shen and YF Ni and HX Chen and XL Yang and SD Feng and FJ Meng and XQ Shi and Y Gong and Q Tonga, ENGINEERING FRACTURE MECHANICS, 325, 111228 (2025).

DOI: 10.1016/j.engfracmech.2025.111228

Understanding the damping properties of polycrystalline metals is essential for improving the performance and durability of materials used in various engineering applications. Grain boundaries, as critical microstructural features, significantly influence these damping properties. This study addresses the challenge of bridging the gap between microscale precision and macroscale applications by employing an atomistically-informed interface model that accurately captures grain- boundary activities. Molecular dynamics (MD) simulations are utilized to establish precise constitutive relations for grain boundaries. The parameters derived from these atomistic simulations are then employed to calibrate continuum methods, specifically cohesive-zone models. The proposed multiscale model incorporates loading-unloading mechanisms to reflect cyclic dynamic behaviors, providing a comprehensive approach to understanding and predicting damping properties. The effectiveness of this model is demonstrated through numerical examples, which showcase its capability to capture essential damping properties under various scenarios. Parametric studies are conducted on strain amplitude and grain-boundary void density, as well as comparative analyses between gradient and homogeneous structures. By integrating atomistic insights with continuum approaches, this study offers a robust framework for predicting and enhancing the damping performance of polycrystalline metals, contributing to the development of more resilient materials in engineering applications.

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