MD simulation of carbon nanotube pullout behavior and its use in determining mode I delamination toughness

Yang, Lin; Tong, Liyong; He, Xiaodong

doi:10.1016/j.commatsci.2011.12.014

Cited by 37 publications

(24 citation statements)

References 24 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Although a direct observation of the whole deformation process is difficult, molecular dynamic simulations confirm these three stages of deformation [43][44][45]. These stages characterize the bridging law in that in the initial stage, the pull-out force increases linearly with the pull-out displacement to a peak load, and then with the propagating interfacial debonding, the force drops steeply as the displacement increases, and finally the force gradually decreases to zero due to the interfacial frictional force.…”

Section: Bridging Lawsmentioning

confidence: 95%

“…Though Leung and Ybanez [46] emphasize the difference in the pull-out behaviour of initially bent and straight fibres, it is also pointed out that initially bent and straight fibres with negligible flexible stiffness should have similar behaviour. While the increase in the critical pull-out displacement for an inclined fibre from a brittle matrix such as mortar is due to spalling of the matrix at the exit point, the plastic deformation of polymer matrix at the exit point of conventional microfibres and nanoscale CNTs will have a similar effect [44,75]. Finally, the theoretical analysis of He et al [64] shows that the peak force of a pulled CNT increases with the inclination angle, consistent with the model of Li et al [19].…”

Section: An Exponential Bridging Law and Determination Of The Parametersmentioning

confidence: 99%

“…It should be mentioned that the pull-out length of the CNTs in composites may vary between several hundreds of nanometres and several millimetres [1,4,53], but the length used in the molecular dynamic simulations is much smaller, say only several tens of nanometres [44,45] or even only several nanometres [43,[54][55][56], and the pull-out lengths in the direct experiments of Barber et al [31,37] are also in the range of several tens of nanometres, relatively small compared to the length in actual composites. Therefore, the actual pull-out displacement corresponding to the stage BC in Fig.…”

Section: Bridging Lawsmentioning

confidence: 99%

See 2 more Smart Citations

A bridging law and its application to the analysis of toughness of carbon nanotube-reinforced composites and pull-out of fibres grafted with nanotubes

2015

Self Cite

View full text Add to dashboard Cite

Bridging laws are essential in predicting the mechanical behaviour of conventional short-fibrereinforced composites and the emerging nanofibre-reinforced composites. In this paper, we first review some studies on the toughness of carbon nanotube-reinforced composites that is induced by the pull-out of the nanotubes from the matrix, and on the development of the corresponding bridging laws. A close examination of the available bridging laws for carbon nanotubes reveals that some fundamental issues need to be further addressed. We propose a simple nonlinear and smooth bridging law to describe the pull-out force-displacement behaviour of carbon nanotubes from a matrix. This law contains only two material parameters, reflects the basic features of the pull-out experiments, and is easy to use. We then use this bridging law to calculate the fracture toughness of carbon nanotube-reinforced nanocomposites and predict the pull-out force-displacement response of conventional short fibres that are grafted with carbon nanotubes. Some parametric studies are conducted to reveal the influence of various parameters at the nano-and micro-scale on these properties.

show abstract

Section: Bridging Lawsmentioning

confidence: 95%

Section: An Exponential Bridging Law and Determination Of The Parametersmentioning

confidence: 99%

Section: Bridging Lawsmentioning

confidence: 99%

See 1 more Smart Citation

A bridging law and its application to the analysis of toughness of carbon nanotube-reinforced composites and pull-out of fibres grafted with nanotubes

2015

Self Cite

View full text Add to dashboard Cite

show abstract

“…The MD simulation box is constructed using the same steps as mentioned previously herein. During the pullout simulation, one end of the fully embedded CNT is extracted from the matrix at constant velocity of 1 Â 10 À5 Å=fs in the NVT ensemble at 300 K (Yang et al 2012a). The periodic boundary conditions were removed along the axial direction of the CNT, and the polymer atoms are constrained during the pullout simulation (Li et al 2011).…”

Section: Cnt Pullout Simulationsmentioning

confidence: 99%

Multiscale Modeling of Nanoreinforced Composites

Alian

Meguid

2016

Advances in Nanocomposites

View full text Add to dashboard Cite

In this chapter, we present different multiscale modeling techniques to determine the elastic and interfacial properties of carbon nanotube (CNT)-reinforced polymer composites. The elastic properties of CNT-reinforced composite (hereinafter the "nanocomposite") are obtained in a two-step approach. First, at the nanoscale level, molecular dynamics (MD) and atomistic-based continuum (ABC) techniques are used to determine the effective elastic properties of a representative volume element (RVE) that is comprised of a nanofiller and its immediate surrounding. Second, at the microscale level, several micromechanics models and hybrid Monte Carlo finite-element (FE) simulations are used to determine the bulk properties of nanocomposite. The interfacial properties are determined through pullout test using MD and ABC techniques. The effect of length, diameter, agglomeration, waviness, defects, and orientation of CNTs on the elastic and interfacial properties of nanocomposites is also investigated. The development of multiscale modeling and the proper selection of simulation parameters are discussed in detail. The results of several studies are presented and compared to show the inherited limitations in each technique.

show abstract

“…Here, we use molecular dynamic simulation (MD) with a maximum allowed bond force criterion to investigate impact tests of a nanoparticle on a monolayer GS. The MD method is often used to study the mechanical properties of graphene and carbon nanotube (CNT) because it provides atomic-level resolution of the mechanical properties, including dynamic behavior and equilibrium properties of the nanomaterial [20][21][22][23][24][25][26].…”

Section: A N U S C R I P Tmentioning

confidence: 99%