Combined molecular dynamics-finite element multiscale modeling of thermal conduction in graphene epoxy nanocomposites

By Bohayra Mortazavi, O. Benzerara, H. Meyer, J. Bardon, Saïd Ahzi. 2013

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Graphene or h-BN paraffin composite structures for the thermal management of Li-ion batteries: A multiscale investigation (2017, methodology): “Because of the computational limitations and the modeling complexities, 300 perfect particles were simulated, which were randomly oriented and distributed in a cube without having intersection which each other [13,46,47].”
A review on the mechanical and thermal properties of graphene and graphene-based polymer nanocomposites: understanding of modelling and MD simulation (2020, methodology): “[31] have used MD and FEM approach for the modelling of graphene which was further used as a reinforcement in their corresponding composites.”