TY - JOUR

T1 - Prediction of elastic properties of carbon nanotube reinforced composites

AU - Hu, N.

AU - Fukunaga, Hisao

AU - Lu, C.

AU - Kameyama, M.

AU - Yan, B.

PY - 2005/6/8

Y1 - 2005/6/8

N2 - In this paper, the macroscopic elastic properties of carbon nanotube reinforced composites are evaluated through analysing the elastic deformation of a representative volume element (RVE) under various loading conditions. This RVE contains three components, i.e. a carbon nanotube, a transition layer between the nanotube and polymer matrix and an outer polymer matrix body. First, based on the force field theory of molecular mechanics and computational structural mechanics, an equivalent beam model is constructed to model the carbon nanotube effectively. The explicit relationships between the material properties of the equivalent beam element and the force constants have been set-up. Second, to describe the interaction between the nanotube and the outer polymer matrix at the level of atoms, the molecular mechanics and molecular dynamics computations have been performed to obtain the thickness and material properties of the transition layer. Moreover, an efficient three-dimensional eight-noded brick finite element is employed to model the transition layer and the outer polymer matrix. The macroscopic behaviours of the RVE can then be evaluated through the traditional finite element method. In the numerical simulations, the influences of various important factors, such as the stiffness of transition layer and geometry of RVE, on the final macroscopic material properties of composites have been investigated in detail.

AB - In this paper, the macroscopic elastic properties of carbon nanotube reinforced composites are evaluated through analysing the elastic deformation of a representative volume element (RVE) under various loading conditions. This RVE contains three components, i.e. a carbon nanotube, a transition layer between the nanotube and polymer matrix and an outer polymer matrix body. First, based on the force field theory of molecular mechanics and computational structural mechanics, an equivalent beam model is constructed to model the carbon nanotube effectively. The explicit relationships between the material properties of the equivalent beam element and the force constants have been set-up. Second, to describe the interaction between the nanotube and the outer polymer matrix at the level of atoms, the molecular mechanics and molecular dynamics computations have been performed to obtain the thickness and material properties of the transition layer. Moreover, an efficient three-dimensional eight-noded brick finite element is employed to model the transition layer and the outer polymer matrix. The macroscopic behaviours of the RVE can then be evaluated through the traditional finite element method. In the numerical simulations, the influences of various important factors, such as the stiffness of transition layer and geometry of RVE, on the final macroscopic material properties of composites have been investigated in detail.

KW - Carbon nanotube

KW - Composites

KW - Elastic property

KW - Finite element method

KW - Molecular mechanics

KW - Representative volume element

UR - http://www.scopus.com/inward/record.url?scp=22244470088&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=22244470088&partnerID=8YFLogxK

U2 - 10.1098/rspa.2004.1422

DO - 10.1098/rspa.2004.1422

M3 - Article

AN - SCOPUS:22244470088

VL - 461

SP - 1685

EP - 1710

JO - PROC. R. SOC. - A.

JF - PROC. R. SOC. - A.

SN - 0950-1207

IS - 2058

ER -