Multiscale Stochastic Finite Elements Modeling of Polymer Nanocomposites

Kontsos, Antonios; Cuadra, Jefferson

doi:10.1002/9783527644346.ch7

Cited by 3 publications

(3 citation statements)

References 49 publications

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“…The obtained results confirm that a precrystallization, also showed for polyolefins, , affects the mechanical properties of the polyimide. This is crucial for the correct parametrization of the interface properties, which is necessary for simulation of the microscopic characteristics of nanocomposites by finite elements methods . A comparison of the results of the simulation of polymer nanocomposites by atomistic molecular dynamics with experimental data is always a nontrivial task.…”

Section: Discussionmentioning

confidence: 99%

“…This is crucial for the correct parametrization of the interface properties, which is necessary for simulation of the microscopic characteristics of nanocomposites by finite elements methods. 48 A comparison of the results of the simulation of polymer nanocomposites by atomistic molecular dynamics with experimental data is always a nontrivial task. One of the few ways to compare is to study the dielectric relaxation by means of both simulation and experiments (see, e.g., Wu et al 49 and Klonos et al 50 ); however, this study is devoted to a research of another kind.…”

Section: ■ Conclusionmentioning

confidence: 99%

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Mechanical Properties of a Polymer at the Interface Structurally Ordered by Graphene

et al. 2016

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In this study, for the first time, molecular dynamics simulations helped identifying the substantial mechanical properties changes of a crystallizable polyimide related to the ordering of the polymer chains along the graphene surface. It is demonstrated that graphene-induced polymer ordering at the nanofiller–polymer interface leads to mechanical properties exceeding those of the unfilled amorphous polymer. Moreover, simulation results confirm that the mechanical properties anisotropy is related to the polymer ordering anisotropy induced by graphene–polymer interactions.

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Section: Discussionmentioning

confidence: 99%

Section: ■ Conclusionmentioning

confidence: 99%

Mechanical Properties of a Polymer at the Interface Structurally Ordered by Graphene

et al. 2016

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“…Consequently, the mechanical properties of PNCs are uncertain and substantial disparities may occur between experimentally measured mechanical properties and predictions by analytical or numerical calculations [31,32]. To incorporate the spatial randomness induced by the nonuniform distribution of constituent phases in polymers, multiscale stochastic finite element method (MSFEM) has been proposed [33]. In MSFEM, the PNC is assumed to constitute a random heterogeneous media, due to random behaviours and uncertainties in the overall material behaviours.…”

Section: Stochastic Multiscale Approachmentioning

confidence: 99%

Computational Approaches to Polymeric Nanocomposites

Ojo¹,

Ismail²

2022

Hybrid Polymeric Nanocomposites From Agricultural Waste

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Understanding hierarchical structures and behaviours of polymeric nanocomposites (PNCs) is essential to achieve optimum improvement in the properties of PNCs for a wide range of applications. To control the process of material synthesis, it is vital to employ computational strategies that can accurately predict the properties of candidate materials. Therefore, this chapter reviews the computational approaches to predicting the behaviours of PNCs. A general approach to modelling the physical and mechanical properties of PNCs in terms of analytical and numerical techniques is first presented, with a view to understand modelling approaches at different levels of complexities, lengths, and time scales, such as molecular, microscale, mesoscale, and macroscale. Then, specific attention is given to multiscale hierarchical modelling of PNCs to highlight techniques to bridge the gap between numerical and analytical models at different scales. This chapter further considers various aspects of emerging applications of single scale and multiscale numerical techniques to nanostructure systems.Lastly, it discusses current challenges encountered in the application of computational methods to improve the performance of polymeric nanomaterials in line with future prospects, prior to the concluding remarks.

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Failure Analysis of Carbon Nanotubes with a Stone–Wales Defect Using Nonlinear Finite-Element Methods

Esbati

Irani

2017

Mech Compos Mater

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Multiscale Stochastic Finite Elements Modeling of Polymer Nanocomposites

Cited by 3 publications

References 49 publications

Mechanical Properties of a Polymer at the Interface Structurally Ordered by Graphene

Mechanical Properties of a Polymer at the Interface Structurally Ordered by Graphene

Computational Approaches to Polymeric Nanocomposites

Failure Analysis of Carbon Nanotubes with a Stone–Wales Defect Using Nonlinear Finite-Element Methods

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