Field-driven microstructure evolution and dynamic properties of magnetorheological elastomers: insights from coarse-grained molecular dynamics

Abstract A novel coarse-grained molecular dynamics simulation model is developed to investigate the influence of microstructure evolution on the dynamic properties of magnetorheological elastomers (MREs) during curing and shearing processes. The model explicitly accounts for particle–matrix interactions by introducing viscous damping and elastic restoring forces, enabling accurate representation of the mechanical constraints imposed by the elastomeric matrix. A series of numerical simulations are conducted to examine the effects of magnetic field intensity, particle concentration, and excitation frequency on the shear modulus of MREs. The results reveal that stronger magnetic fields and higher particle concentrations promote the formation of anisotropic, chain-like structures, thereby enhancing the shear modulus. While magnetic fields during curing initiate initial particle alignment, those applied during shearing more effectively increase stiffness by continuously reinforcing particle interactions beyond the alignment plateau. The simulation outcomes show good qualitative agreement with existing experimental findings, validating the model’s capability to capture both microstructural characteristics and macroscopic mechanical responses. This work offers valuable insights into the structure–property relationships of MREs and highlights the potential of advanced simulation techniques in guiding the design and optimization of magneto-responsive smart materials.