#### 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
##### Abstract

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 $\sim 70$% 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 $\sim$80% while the transverse Poisson’s ratio increases about three times.

##### Keywords
Mori–Tanaka, composite cylinder method, SWCNT, polymer, elastic properties, multiscale, FEA
##### Milestones
Received: 25 April 2016
Revised: 23 November 2016
Accepted: 28 November 2016
Published: 9 February 2017
##### Authors
 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, Mexico F. Avilés Centro de Investigación Científica de Yucatán Calle 43 No. 130 Colonia Chuburná de Hidalgo 97200 Mérida, Mexico