The stress–strain behavior of polymer–nanotube composites from molecular dynamics simulation

Frankland, S. J. V.; Harik, Vasyl; Odegard, Gregory M.; Brenner, Donald W.; Gates, Thomas S.

doi:10.1016/s0266-3538(03)00059-9

Cited by 462 publications

(206 citation statements)

References 29 publications

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“…From this simple analysis, we introduce another important design consideration on the minimum length of the nanoscale reinforcement in nanocomposites. If all other properties and dimensions are the same, the length of the nanofiber or nanotubes will determine the mechanical properties of nanocomposites [14]. It is very important that a fiber needs to be longer than a certain length known as load transfer length.…”

Section: Matrixmentioning

confidence: 99%

Mechanical Property Characterization of a Polymeric Nanocomposite Reinforced by Graphitic Nanofibers with Reactive Linkers

Bhamidipati

Zhong³

et al. 2004

Journal of Composite Materials

113

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Mechanical property characterization including bending, tensile, and fracture properties for a new functionalized nanofiber/epoxy composite were conducted. Results show that there was only very little increase in mechanical properties of nanocomposites although we used GCNF-ODA reactive linkers to improve the interface. The interfacial stress level of nanocomposites should be much higher than that of traditional composites because of high property mismatch between the nanoscale reinforcement and the matrix. In order to design strong and stiff nanocomposite materials, one should use aligned nanofibers with a relatively large volume or weight fraction. Also, the length of the nanofiber should be long enough and its diameter not very small in order to facilitate the interfacial load transfer mechanism.

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Section: Matrixmentioning

confidence: 99%

Mechanical Property Characterization of a Polymeric Nanocomposite Reinforced by Graphitic Nanofibers with Reactive Linkers

Bhamidipati

Zhong³

et al. 2004

Journal of Composite Materials

113

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“…For the bulk deformations, the kinematic equations of motion (Equation (20)) become (1) , x (2) , x (3) , and x (4) correspond to bulk strains of 0.25%, 0.50%, 0.75%, and 1.0%, respectively. The relative deformation gradients (indicated by the apostrophe), which relate the deformation at a given strain level to those of the previous strain level are…”

Section: Energy Equivalencementioning

confidence: 99%

“…Many studies have focused on the modeling and simulation of polymers and polymer-based nanocomposites via MD techniques. [1][2][3][4][5][6][7][8][9][10][11][12][13][14] These studies have demonstrated that MD techniques can be effectively used to predict both structure and properties of polymer-based material systems. An important factor in the accurate prediction of properties of material systems via MD is the selection of the atomic potential.…”

Section: Introductionmentioning

confidence: 99%

Prediction of Mechanical Properties of Polymers with Various Force Fields

Odegard

Clancy

Gates

2005

46th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference

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The effect of force field type on the predicted elastic properties of a polyimide is examined using a multiscale modeling technique. Molecular Dynamics simulations are used to predict the atomic structure and elastic properties of the polymer by subjecting a representative volume element of the material to bulk and shear finite deformations. The elastic properties of the polyimide are determined using three force fields: AMBER, OPLS-AA, and MM3.

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“…CNTs are of great interest due to their potential applications in different fields of science and technology; they offer a combination of mechanical, electrical, and thermal properties that no other material has displayed before (Coleman et al 2006). The integration of CNT/polymer composites has been focused on the improvement of mechanical and electrical properties of the matrix (Ramanathan et al 2005;Frankland et al 2003;Eitan et al 2006); however, in order to take advantages of such properties CNTs have to be both compatible and intimately dispersed within the polymer host. Nevertheless, due to strong Vander Waals forces, CNTs have a great tendency to self-aggregate (Hill et al 2002;Park et al 2005).…”

Section: Introductionmentioning

confidence: 99%

Cation exchange resin nanocomposites based on multi-walled carbon nanotubes

et al. 2012

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Carbon nanotubes (CNTs) are of great interest due to their potential applications in different fields such as water treatment and desalination. The increasing exploitation of multi-walled carbon nanotubes (MWCNTs) into many industrial processes has raised considerable concerns for environmental applications. The interactions of soluble salt with MWNCTs influence in the total salt content in saline water. In this work, we synthesized two cation exchange resins nano composites from polystyrene divinylbenzene copolymer (PSDVB) and pristine MWNCTs. The prepared compounds were characterized using infra red spectroscopy, thermal stability, X-ray diffraction, and electro scan microscope. Also, the ion capacities of prepared cation exchange resins were determined by titration. Based on the experimental results, it was found that the thermal stability of prepared nanocomposites in the presence of MWNCTs increased up to 617°C. The X-ray of PSDVB and its sulfonated form exhibits amorphous pattern texture structure, whereas the nano composite exhibits amorphous structure with indication peak at 20°and 26°for the PSDVB and MWCNTs, respectively. The ion-exchange capacity increased from 225.6 meq/100 g to 466 mg/100 g for sulfonated PSDVB and sulfonated PSDVB MWNCTs-pristine, respectively.

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The stress–strain behavior of polymer–nanotube composites from molecular dynamics simulation

Cited by 462 publications

References 29 publications

Mechanical Property Characterization of a Polymeric Nanocomposite Reinforced by Graphitic Nanofibers with Reactive Linkers

Mechanical Property Characterization of a Polymeric Nanocomposite Reinforced by Graphitic Nanofibers with Reactive Linkers

Prediction of Mechanical Properties of Polymers with Various Force Fields

Cation exchange resin nanocomposites based on multi-walled carbon nanotubes

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