scholarly journals Interfacial Characteristics of Carbon Nanotube-Polyethylene Composites Using Molecular Dynamics Simulations

2011 ◽  
Vol 2011 ◽  
pp. 1-10 ◽  
Author(s):  
Z. Q. Zhang ◽  
D. K. Ward ◽  
Y. Xue ◽  
H. W. Zhang ◽  
M. F. Horstemeyer

The rate-dependent interfacial behavior between a carbon nanotube (CNT) and a polyethylene (PE) matrix is investigated using molecular dynamics (MD) simulations. Various MD simulations were set up to determine the “size” effects on the interfacial properties, such as the molecular weight, or the length of the polymer, the diameter of the CNT, and the simulation model size. The interfacial rate-dependency was probed by applying various relative sliding velocities between the CNT and the polymer. Two quantities, directly obtained from the MD simulations, described the interfacial properties: the critical interfacial shear stress (CISS) and the steady interfacial shear stress (SISS). The simulations show that the SISS was not sensitive to the simulation size. In addition, the CISS was dependent upon the combined factors of the variation in PE stiffness, induced by simulation size changes and the effect of the fixed boundaries of the simulation models. The CISS increases almost linearly with the relative sliding velocity of CNTs. Also, a linear relationship between the SISS and the CNT-sliding velocity is observed when the SISS drops below a critical value. A clear size scaling is observed as the CISS and SISS decrease with increasing CNT radius and increase with the increasing polymer chain length.

2012 ◽  
Vol 446-449 ◽  
pp. 3499-3502
Author(s):  
Chen Zhao ◽  
Pei Yan Huang ◽  
Zhong Song Chen

Based on existing methods and results of other research, the bond-slip relationship model is given and the distrubition of shear stress of concrete beam strengthened by FRP in salt water is derived. Through a specific example to analyze the distribution of interfacial shear stress, and the different effects caused by different aggressive environment on the interfacial properties. The results show that: 1) Interfacial shear stress will sharply reduce with increasing distance from the end; 2) Different environments have different effects on the interface properties of FRP strengthened beams. Salt water erosion influnce the interfacial properties of FRP strengthened beams significantly.


Author(s):  
Akhileshwar Singh ◽  
Dinesh Kumar

The present study investigates the interfacial behavior of functionalized carbon nanotube–polyethylene nanocomposite at different temperatures using molecular dynamics simulations, utilizing the second-generation polymer consistent force field. The carboxylic acid group is used to functionalize the carbon nanotube. In order to calculate interfacial interaction energy and interfacial shear strength of the nanocomposite, various pull-out tests are performed at different temperatures in the range of 1–400 K. The effect of functionalization on the interfacial interaction energy, interfacial shear strength, and glass transition temperature of the nanocomposite are studied in comparison to pristine carbon nanotube–reinforced nanocomposite. Results reveal that for all temperatures and degrees of functionalization, the chirality (i.e. armchair and zigzag) of carbon nanotube has a significant effect on interfacial interaction energy and interfacial shear strength of the nanocomposite. It is also found that functionalizing the carbon nanotube in carbon nanotube–polyethylene nanocomposite enhances its interfacial shear strength at different temperatures. Furthermore, a sudden drop in the value of interfacial interaction energy and interfacial shear strength of the pristine as well as functionalized carbon nanotube–reinforced nanocomposite is observed at a temperature near to its glass transition temperature.


2013 ◽  
Vol 554-557 ◽  
pp. 1738-1750 ◽  
Author(s):  
Hua Gui Zhang ◽  
Khalid Lamnawar ◽  
Abderrahim Maazouz

This work aims to highlight the importance of interphase triggered from interdiffusion at neighboring layers on controlling the interfacial flow instability of multilayer coextrusion based on a compatible bilayer system consist of poly(methyl methacrylate) (PMMA) and poly(vinylidene fluoride) (PVDF) melt streams. A fundamental rheological measurement on the bilayer structures provides a good strategy to probe the mutual diffusion process occurred at neighboring layers and to quantify the rheology and thickness of the interphase generated thereof. By implementing steady shear measurements on the multilayer’s, subtle interfacial slippage can be observed at a condition of short welding time and rather high shear rate due to the disentanglement of chains at the interphase. Pre-shear at an early stage on the multilayer was found to greatly promote the homogenizing process by inducing branched structures and hence increasing interfacial area. In coextrusion, some key classical decisive parameters concerning the interfacial instability phenomena such as viscosity ratio, thickness ratio and elasticity ratio, etc. were highlighted. These key factors that are significant in controlling the interfacial stability of coextrusion in an incompatible system seem not that important in a compatible system. In comparison to the severe flow instability observed in the coextrusion of PMMA/PE incompatible bilayer, the coextrusion of PMMA/PVDF compatible bilayer appears to be smooth without apparent interfacial flow instability due to the presence of the interphase. Interdiffusion can reduce (even eliminate) the interfacial flow instability of coextrusion despite of the very high viscosity ratio of PVDF versus PMMA at low temperatures. Indeed, in the coextrusion process, on one hand, the interdiffusion should be studied by taking into account of the effect of polymer chain orientation which was demonstrated to decelerate the diffusion coefficient. On the other hand, the interfacial shear stress was able to promote mixing and homogenizing process at the interface, which favours the development of the interphase and guarantees the stable interfacial flow. The degree of the interphase is related to a lot of parameters like contact time, processing temperature, interfacial shear stress and compatibility of the polymers, etc. Therefore, apart from the classical mechanical parameters, the interphase created from the interdiffusion should be taken into consideration as an important factor on determining the interfacial instability phenomena. References [1] H. Zhang, K. Lamnawar, A. Maazouz, Rheological modeling of the diffusion process and the interphase of symmetrical bilayers based on PVDF and PMMA with varying molecular weights. Rheol. Acta 51 (2012) 691-711 [2] H. Zhang, K. Lamnawar, A. Maazouz, Rheological modeling of the mutual diffusion and the interphase development for an asymmetrical bilayer based on PMMA and PVDF model compatible polymers, Macromolecules (2012), Doi: http://dx.doi.org/10.1021/ma301620a [3] H. Zhang, K. Lamnawar, A. Maazouz, Role of the interphase in the interfacial flow stability of multilayer coextrusion based on PMMA and PVDF compatible polymers, to be submitted. [4] K. Lamnawar, A. Maazouz, Role of the interphase in the flow stability of reactive coextruded multilayer polymers, Polymer Engineering & Science, 49, (2009), 727 - 739 [5] K. Lamnawar, H. Zhang, A. Maazouz, one chapter” State of the art in co-extrusion of multilayer polymers: experimental and fundamental approaches” in Encyclopedia of Polymer Science and Technology (wiley library) (feature article)


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