Vol. 12, No. 3, 2017

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Hierarchical multiscale modeling of the effect of carbon nanotube damage on the elastic properties of polymer nanocomposites

G. Domínguez-Rodríguez, A. K. Chaurasia, G. D. Seidel, A. Tapia and F. Avilés

Vol. 12 (2017), No. 3, 263–287

The influence of various levels of carbon nanotube (CNT) structural damage on the transversely isotropic elastic properties of CNTs and CNT/polymer composites is investigated through a hierarchical multiscale modeling strategy. Assessment of the effect of structural damage on the CNTs is first conducted by removing C-C bonds and using atomistic finite element analysis. The composite cylinder method is then used to model composites whose effective properties are obtained from the Mori–Tanaka method. The axial, radial, transverse shear and in-plane shear moduli of CNTs decrease 70% for 10% damage. This decrease is more pronounced for CNTs with small radii, and when the broken bonds coalesce. The transverse Poisson’s ratio of CNTs increases about six times for 10% damage. When these defective CNTs are used in polymer composites, the axial elastic modulus of the composite reduces by 80% while the transverse Poisson’s ratio increases about three times.

Mori–Tanaka, composite cylinder method, SWCNT, polymer, elastic properties, multiscale, FEA
Received: 25 April 2016
Revised: 23 November 2016
Accepted: 28 November 2016
Published: 9 February 2017
G. Domínguez-Rodríguez
Centro de Investigación Científica de Yucatán
Calle 43 No. 130
Colonia Chuburná de Hidalgo
97200 Mérida,
Yucatan, Mexico
A. K. Chaurasia
Department of Engineering Science and Mechanics
Virginia Polytechnic Institute and State University
495 Old Turner Street
Norris Hall, Room 223
Blacksburg, VA 24061
United States
G. D. Seidel
Department of Aerospace and Ocean Engineering
Virginia Polytechnic Institute and State University
228 Randolph Hall (0203)
Blacksburg, VA 24061
United States
A. Tapia
Facultad de Ingeniería
Universidad Autónoma de Yucatán
Av. Industrias no Contaminantes por Periférico
Norte, Cordemex
97310 Mérida,
F. Avilés
Centro de Investigación Científica de Yucatán
Calle 43 No. 130
Colonia Chuburná de Hidalgo
97200 Mérida,