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    Molecular dynamics simulation of the dynamical mechanical analysis of polybutadiene by Sadollah Ebrahimi, Marc Meunier, Armand Soldera

    Published 2022-07-01
    “…Dynamical and mechanical properties of polymers have thus been investigated using atomistic simulation to characterize the viscoelastic response of 1,4-Polybutadiene (PBD), an important synthetic rubber. For this, the dynamic moduli of the 1,4-Polybutadiene (PBD) at different regimes have been analyzed considering two different methods using molecular dynamics simulations with GPU acceleration: one based on Green-Kubo expression, and the second one on calculating stress response in a cyclic deformation. …”
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