Multiscale Modeling Approach for Estimation of Pinhole Defects in Polymer Nanocomposites

作者：Gupta A K; Harsha S P^*

来源：Nano, 2015, 10(2): UNSP 1550030.

DOI：10.1142/S1793292015500307

• Carbon nanotube
• multiscale modeling
• pinhole defects
• representative volume element
• nanocomposites

In this paper, a multiscale modeling approach is proposed for studying the pinhole defects in double wall carbon nanotube (DWNT) reinforced polymer composites. Two configurations of DWNT i.e., armchair (5,5), (10,10) and zigzag (9,0), (16,0) are selected for the analyses wherein C-C bonds at atomic scale are modeled as Euler beam. The three-dimensional (3D) solid elements are used for matrix material and square representative volume element (RVE) is constructed for the nanocomposite. These composite materials consist of aligned carbon nanotubes (CNTs) that are uniformly distributed within the matrix. The presence of chemical covalent bonding between functionalized CNT and matrix are modeled as elastic crosslinks. The nonbonded van der Waals interactions between inner and outer wall are modeled as cohesive interaction elements. The influence of the pinhole defects on the nanocomposite are studied under axial load condition. It has been observed that with the increase in the number of atomic vacancies, the elastic modulus of the composite are reduced significantly. The effects of nanotube chirality and composite stiffness ratio on the elastic properties are also analyzed in the presence of pinhole defects.

• 出版日期2015-2