A Molecular Dynamics-Based Framework for Dynamic Response and Damage Assessment of Structural Systems

  • Louhghalam, Arghavan (University of Massachusetts Lowell)
  • Pourvaghar, Ermia (University of Massachusetts Lowell)
  • Tootkaboni, Mazdak (University of Massachusetts Dartmouth)

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Civil infrastructure systems are increasingly exposed to extreme natural hazards, such as hurricanes, earthquakes, and floods, that impose dynamic loading leading to damage and progressive collapse. Accurate assessment of structural resilience under such conditions calls for modeling frameworks capable of capturing nonlinear behavior and failure while remaining computationally tractable for large-scale simulations, including community-scale analyses. The authors have previously developed and applied the Potential-of-Mean-Force–based Lattice Element Method (LEM) for a range of structural mechanics problems, including linear elastic response [1], nonlinear structural behavior [2], and fracture simulations [3]. These studies demonstrated that LEM, as a discrete modeling approach, can effectively simulate the structural response. However, LEM is inherently quasi-static, which limits its applicability to the dynamic nature of natural hazard events. To address this limitation, we introduce a molecular dynamics (MD)-based simulation framework for modeling structural response under dynamic loads. Structural members are represented as interacting particles connected through effective potentials calibrated to replicate corresponding continuum properties. Dynamic response is captured through MD time-integration schemes, with enhancements that include bending and torsional degrees of freedom. The results are validated against analytical solutions and finite element models. To assess the effectiveness of the proposed framework, it will be applied to building-scale simulations, demonstrating its potential as a scalable and flexible tool for next-generation resilience assessment of hazard-prone civil infrastructure. References [1] Razi, S., Louhghalam, A., & Tootkaboni, M. (2025). A potential of Mean Force-based Lattice Element Method for nonlinear analysis of structures. International Journal of Mechanical Sciences, 111022. [2] Razi, S., Wang, X., Mehreganian, N., Tootkaboni, M., & Louhghalam, A. (2023). Application of mean-force potential lattice element method to modeling complex structures. International Journal of Mechanical Sciences, 260, 108653. [3] Wang, X., Botshekan, M., Ulm, F. J., Tootkaboni, M., & Louhghalam, A. (2021). A hybrid potential of mean force approach for simulation of fracture in heterogeneous media. Computer Methods in Applied Mechanics and Engineering, 386, 114084.