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Modélisation électro-mécanique multi-échelle des nanocomposites graphène/polymère

Abstract : This work contributes to developing numerical methodologies for predicting the electrical and mechanical properties of graphene/polymer nanocomposites, which can provide a better view for the design of new materials.First, a nonlinear electrical conduction model taking into account the tunneling effect is introduced to determine the effective conductivity of the graphene/polymer nanocomposites through a numerical homogenization procedure. The influences of barrier height and microstructural parameters on the conductivity were demonstrated.Then, to characterize the properties of interphases and interfaces, we employed the Murdoch-Hardy procedure combined with the molecular dynamics method to study the mechanical properties of the graphene/polymer nanocomposites. The stiffness tensor components of the interphase, interface andnbulk polymer region are identified. Based on these fields, a continuous elastic model with imperfect interface has been identified and compared with the results of molecular dynamics simulations.Finally, the atomistic model was used to identify a nonlinear cohesive zone model to simulate the decohesion at the interface of polymer and graphene. A numerical homogenization procedure by finite element method was introduced to estimate the effective mechanical properties in the framework of the finite strains. The proposed mechanical modeling is finally extended to the finite strain problem to predict the evolution of percolation threshold under tension within the proposed electrical model.
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Submitted on : Thursday, April 5, 2018 - 4:32:09 PM
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  • HAL Id : tel-01756392, version 2

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Xiaoxin Lu. Modélisation électro-mécanique multi-échelle des nanocomposites graphène/polymère. Autre. Université Paris-Saclay, 2017. Français. ⟨NNT : 2017SACLC058⟩. ⟨tel-01756392v2⟩

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