2002 personal communication

Molecular simulation of the influence of chemical cross-links on the shear strength of carbon nanotube-polymer interfaces

Frankland, S. J. V., Caglar, A., Brenner, D. W., & Griebel, M. (2002, March 28).

By: S. Frankland n, A. Caglar n, D. Brenner n & M. Griebel n

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
Source: Web Of Science
Added: August 6, 2018

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.