Molecular Simulation of the Influence of Chemical Cross-Links on the Shear Strength of Carbon Nanotube−Polymer Interfaces

Abstract

The influence of chemical cross-links between a single-walled fullerene nanotube and a polymer matrix on the matrix-nanotube shear strength has been studied using molecular dynamics simulations. A (10,10) nanotube embedded in either a crystalline or amorphous polyethylene matrix is used as a model for a nonbonded interface (in the absence of cross-links). The simulations predict that shear strengths and critical lengths required for load transfer can be enhanced and decreased, respectively, by over an order of magnitude with the formation of cross-links involving less than 1% of the nanotube carbon atoms. At this level of chemical functionalization, calculations also predict that there is a negligible change in tensile modulus for a (10,10) nanotube.

Interfacial energy between carbon nanotubes and polymers measured from nanoscale peel tests in the atomic force microscope

“…In carbon nanotube nanocomposites, three types of CNT-polymer matrix interaction forces are relevant: micro-mechanical interlocking [16], chemical bonding [22], and van der Waals interaction forces. We study CNT peeling that takes into account the van der Waals interaction forces based on the universal graphitic potential [23].…”

A review on the role of interface in mechanical, thermal, and electrical properties of polymer composites

“…This is due to the presence of discontinuity because of de-bonding at the interface, which prevents the filler from carrying the applied load efficiently. There are many studies on filler surface modification that lead to higher dispersion and interfacial interaction and subsequently higher tensile strength of the composites [76,[146][147][148][149]; suggesting that, the introduction of chemical bonding to filler-matrix interfaces can effectively enhance the strength of composites [150,151]. Fig.…”

Mode I and mode II fracture toughness of E-glass non-crimp fabric/carbon nanotube (CNT) modified polymer based composites

“…This can be accounted for a strong tendency of CNTs to agglomerate within the polymers arising from their inert and huge surface area, thus leading to non-homogeneous dispersion of CNTs within the surrounding matrix. To enhance their dispersibility within the resin, chemical functional groups compatible with the matrix resin can be grafted onto surfaces of the CNTs [8][9][10][11]. Many approaches including direct mixing, high speed mechanical stirring and sonication have been attempted to accomplish the uniform dispersion of carbon nanotubes within liquid resins.…”