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۱Hybrid Finite Element–Neural Network Method for Prediction of Bucky Paper Nanocomposite Elastic Properties
نویسنده(ها): ، ، ،
اطلاعات انتشار: سومین کنفرانس نانوساختارها، سال
تعداد صفحات: ۴
Porous assemblies of carbon nanotubes produced by filtration from dispersion is called bucky paper is likely to have broad application in future nanocomposites. Since bucky papers are porous materials when they are used in polymer nanocomposites the polymer chains place among carbon nanotubes. This matter affects bucky paper mechanical properties. In this study, a new method is presented for prediction of bucky paper mechanical properties considering polymer penetration effect. In the proposed technique, Finite Element (FE) method was used for 3D modeling of multi–wall carbon nanotubes (MWCNTs) embedded in polymer medium using periodic boundary condition. In this model, MWCNTs were considered as continuum shells with effective diameters and elastic modulus properties of atomistic models. The presented method is more accurate, simpler to implement as well as computationally cheaper than previously used Molecular Mechanics (MM) and Molecular Dynamics (MD) models. By carrying out FE simulations, effects of various polymer elastic moduli, MWCNTs diameters, gap distance and engagement percent on the bucky paper elastic modulus were discussed. Finally, a Multi–Layer–Perceptron (MLP) neural network is designed and trained, using the Levenberg–Marquardt algorithm, to approximate the results of the FE simulation. The trained network would be able to predict accurately, the elastic modulus of a certain bucky paper at a negligible computational cost<\div>

۲Studying Mechanical Response of Aligned Silver Nano–Composites Using Hybrid Molecular Dynamics–Finite Element Modeling
نویسنده(ها): ، ،
اطلاعات انتشار: دومین کنفرانس بین المللی کامپوزیت، سال
تعداد صفحات: ۶
Fiber reinforced nano–composites are gaining conspicuous importance in several industrial fields due to their superior strength to weigh ratio, fatigue and fracture resistance and damping characteristics. Since experimental procedures in determination and characterization of material properties at nano–scales are considerably expensive, development of modeling and simulation techniques is an ongoing research area and numerous related researches have been carried out during the past decade. In this paper, mechanical properties of a silver nano–composite has been studied. In this investigation, a hybrid Molecular Dynamics (MD) – Finite Element (FE) modelling has been utilized in order to study the mechanical response of aligned silver (Ag) nano fibber composites. Then the effects of nano fibers aspect ratio and volume fractions on the nano–composite stressstrain response and its energy absorption during displacement controlled loading conditions are studied. The presented Hybrid MD–FE method includes two main steps: the first step includes MD modelings of uniaxial tension of Ag FCC nano specimens in order to obtain their stress–strain response, which can be utilized in the second step, to develop threedimensional FE models of nano–composite unit–cells. The Sutton–Chen potential is used in MD simulations combined with periodic boundary conditions and the Velocity Verlet formulation of Nose–Hoover dynamics to fix the temperature during the loading condition. The results clearly illustrate a major improvement in the mechanical properties of the fiberreinforced composite. It has been demonstrated that the governing parameter is the volume fraction of the fibers while the aspect ratio and other factors do not have a remarkable effect on the mechanical properties of silver nano–composites.<\div>
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