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Procedia Materials Science 6 (2014) 1899 1905

3rd International Conference on Materials Processing and Characterisation (ICMPC 2014)

Evaluations of youngs modulus of boron nitride nanotube

reinforced nano-composites
Sandesh Trivedia*, Satish C. Sharmaa, S. P. Harshaa
a

Vibration & Noise Control Lab., Mechanical and Industrial Engineering Department, IIT Roorkee, Roorkee-247667, India

Abstract

Boron Nitride Nanotubes (BNNTs) possess extremely high stiffness and strength and may provide the ultimate
reinforcing materials for the development of nano-composites. In this paper, the Youngs modulus of BNNT based
composites are evaluated using a 3-D nanoscale representative volume element (RVE) based on continuum
mechanics and using the finite element method (FEM). Formulas to extract the Youngs modulus from solutions for
the RVE are derived, based on the elasticity theory. An extended rule of mixtures, based on the strength of materials
theory for estimating the effective Youngs modulus in the axial direction of the RVE, is applied for comparisons
with the numerical solutions based on the elasticity theory. It is observed that with additions of 5% of volume
fraction of the BNNTs in a matrix of various materials, the strength of the composite can increases by an amount 2055% depending on material of matrix, suggesting possible use of BNNT as reinforcing material to strengthen the
matrix material in composite.
2014 Elsevier Ltd. This is an open access article under the CC BY-NC-ND license

2014 The Authors. Published by Elsevier Ltd.

(http://creativecommons.org/licenses/by-nc-nd/3.0/).
Selection
andpeer
peer-review
under
responsibility
of Gokaraju
the Gokaraju
Rangaraju
Institute
of Engineering
and Technology
Selection and
review under
responsibility
of the
Rangaraju
Institute
of Engineering
and Technology
(GRIET) (GRIET).
Keywords: Boron

nitride nanotubes; Nanocomposites; Youngs modulus; Finite element method.

1. Introduction
There has been great interest in recent years in nano-composites based on nanotubes or nanoparticles. Carbon
nanotubes (CNTs) as discovered by Iijima (1991) possess exceptionally high stiness, strength and resilience, as

* Corresponding author. Tel.: +91-1332-286602.

E-mail address:sandeshtrivedi@yahoo.in

2211-8128 2014 Elsevier Ltd. This is an open access article under the CC BY-NC-ND license
(http://creativecommons.org/licenses/by-nc-nd/3.0/).
Selection and peer review under responsibility of the Gokaraju Rangaraju Institute of Engineering and Technology (GRIET)
doi:10.1016/j.mspro.2014.07.222

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Sandesh Trivedi et al. / Procedia Materials Science 6 (2014) 1899 1905

well as superior electrical and thermal properties. Many believe that CNTs may provide the ultimate reinforcing
materials for the development of a new class of nano-composites as explained by Qian et al. (2002) and Thostenson
et al. (2001). It has been demonstrated by Qian et al. (2000) that with only 1% (by weight) of CNTs added in a
matrix material, the stiness of a resulting composite film can increase between 36% and 42% and the tensile
strength by 25%. The mechanical load carrying capacities of CNTs in nano-composites have also been demonstrated
in some experimental work done by Qian et al. (2000), Schadler et al. (1998), Wagner et al. (1998), and Bower
(1999) and also through simulations by Liu and Chen (2002). All these studies show that the CNT-based composites
have the potential to provide extremely strong and ultra-light new materials. However, enormous challenges remain
in the development of such nano-composites. BNNT also offers same properties but, fabrication of BNNT-based
composites is still a difficult and expensive process. Many basic issues for example, characterizations, experimental
techniques and simulation methods have not been fully addressed for the development of BNNT-based composites.
Computational approach can play a significant role in the development of the BNNT-based composites by
providing simulation results to help on the understanding, analysis and design of such nano-composites. At the
nanoscale, analytical models are difficult to establish or too complicated to solve, and tests are extremely difficult
and expensive to conduct. Modeling and simulations of nano-composites, on the other hand, can be achieved readily
and in cost effective manner on even a desktop computer. Characterizing the mechanical properties of BNNT-based
composites is just one of the many important and urgent tasks that simulations can accomplish.
In this paper, the Youngs modulus of BNNT-based composites is evaluated using a 3-D nanoscale representative
volume element (RVE) based on continuum mechanics and using the finite element method (FEM).
2. Modeling approach and RVEs for evaluations of the effective Youngs Modulus
Cornwell et al. (1997), Han et al. (1997), Gao et al. (1998), Halicioglu (1998) Sinnott et al. (1998), Buongiorno
et al. (2000), Kang et al.(2001), Macucci (2001) and Srivastava (2001) analyzed and simulated individual CNTs
using atomistic or molecular dynamics (MD) models and have provided sufficient results for the understanding of
mechanical and electrical behaviors of the CNTs. However, these atomistic or MD simulations are currently limited
to very small length and time scales and cannot deal with the larger length scales in nano-composites, due to the
limitations of current computing power. Nano-composites for engineering applications expand from nano to micro,
and eventually to macro length scales, which must be addressed by other simulation approaches or combinations of
MD with other approaches.
Continuum approaches based on continuum mechanics have also been applied successfully for simulating the
mechanical responses of individual or isolated carbon nanotubes which are treated as beams, thin shells or solids in
cylindrical shapes as explained by Qian et al. (2002), Wong et al. (1997), Sohlberg et al. (1998), Govindjee et al.
(1999), Ru (2000) and Qian et al. (2001). These studies suggest that the continuum mechanics approach can be
applied safely to investigate the mechanical behaviors of the BNNTs when the lengths of the BNNTs are about 100
nm and above. For example Wong et al. (1997), successfully applied the simple beam theory to model CNTs and
extracted Youngs modulus of the CNT from the forcedeflection curve obtained from their experiment. Their
results are consistent with other reported work. Although successful to some extent and efficient in computation for
models at larger length scales, continuum mechanics at this threshold faces the risk of breakdowns more than ever
before, compared with the micromechanics simulations. The preferred approach for simulations of BNNT-based
composites should be a multi-scale one where the MD and continuum mechanics are integrated in a computing
environment that is detailed enough to account for the physics at nanoscales while ecient enough to handle nanocomposites at larger length scales.
Before a multi-scale approach for simulations of nano-composites is successfully developed, the continuum
mechanics approach seems to be the only feasible approach now for conducting some preliminary studies of such
materials. A study of the CNTs in a matrix was given by Liu and Chen (2002), in which the interactions of the CNT
with the matrix, interfacial stresses and load-carrying capabilities of the CNTs are investigated based on 3-D
elasticity models. It is also proposed by Liu and Chen (2002) that the 3-D elasticity models, instead of beam or shell
models, should be used for the CNTs, as well as the matrix, in order to ensure the accuracy and compatibility of the
models for the CNTs and the matrix. One way to develop manageable 3-D continuum models for the study of CNT-

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Sandesh Trivedi et al. / Procedia Materials Science 6 (2014) 1899 1905

based composites is to extend the concept of representative volume elements used for conventional fiber-reinforced
composites at the microscale.
To start with, the concept of unit cells or RVEs, which have been applied successfully in the studies of
conventional fiber-reinforced composites at the microscale, can be extended to study the BNNT-based composites at
the nanoscale. In this RVE approach, a single (or multiple) nanotube(s) with surrounding matrix material can be
modeled, with properly applied boundary and interface conditions to account for the eects of the surrounding
materials. Numerical methods, such as mesh free method as used by Qian et al. (2001) or the finite element method
(FEM) as suggested by Liu et al. (2000) and boundary element method (BEM) given by Chen and Liu (2001) can be
applied to analyze the mechanical responses of these RVEs under dierent loading conditions. Interfaces between
the BNNTs and matrix are crucial regions to ensure the load carrying capacity and other functionalities of the nanocomposites. They are also the most dicult regions for any simulation approaches. For this, perfect bonding is
assumed between the BNNTs and matrix material in the present work for the analysis of BNNT-reinforced
composites based on continuum mechanics.

Fig. 1. Different RVEs for BNNT based composites

Three nanoscale representative volume elements (RVE) based on the 3-D elasticity theory, namely cylindrical
RVE, square RVE and hexagonal RVE as shown in Fig. 1 have been used for the study in the present work.
3. Problem formulation
Considering long BNNT through the length of the cylindrical RVE, the volume fraction of the BNNT as shown
in Fig. 2 is given by:

Vt

S  ro2  ri 2 

S  R 2  ro2 

(1)

Where,  and are outer and inner radius of BNNT and  is outer radius of cylindrical RVE. For the analysis,
it is assumed that the matrix and BNNT deform independently under the stretch L as indicated in Fig. 2. Applying
the strength of materials theory and considering the compatibility of strains and equilibrium of stresses, one obtains
the following expression for the effective Youngs modulus of composite in the axial direction, as:

Ez

Et .Vt  Em . 1  Vt 

Where and are the Youngs modulus of the matrix and BNNT, respectively.

(2)

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Sandesh Trivedi et al. / Procedia Materials Science 6 (2014) 1899 1905

More parametric studies using Eq. (2) can be performed to obtain quick estimates of the Youngs modulus in the
axial direction of a BNNT-based composite with different sizes and material combinations. Eq. (2) can also be
directly applicable or easily extendible to cases when the RVE contains more than one BNNTs or different cross
section of RVEs as shown in Fig. 1.
y

Matrix
ro

BNNT

ri

UL

Fig. 2. Simplified strength of materials models used to derive the analytical expressions for the effective Youngs modulus Ez.

To evaluate the effective Youngs modulus of a BNNT-based nano-composite, different RVEs (see Fig. 1) for a
single-walled BNNT in a matrix material are used and analyzed using the finite element method. The FEM results
are then processed and Eq. (2) is applied to extract the effective Youngs moduli for the BNNT-based composite.
4. Results and discussion
Considering a long BNNT inside the RVE, the dimensions for cylindrical RVE are:
x For matrix, length L = 100 nm, radius R = 10 nm;
x For BNNT, length L = 100 nm, outer radius r o = 5 nm, inner radius ri = 4.6 nm (effective thickness = 0.4nm).
The Youngs moduli and Poissons ratios used for the BNNT and matrix are:
x BNNT: Et = 1180 nN/nm2 (GPa) and Qt = 0.25
x Matrix: Em and Qm = Depending on material considered for analysis as given in Table 1.
Table 1: Properties of matrix material
Matrix Material

Youngs Modulus (Em) (Gpa)

Poissons Ratio (Qm)

Et/Em

Ceramic

220

0.25

5.36

Brass

100

0.33

11.8

Structural alloy steel

210

0.28

5.62

Malleable C.I.

190

0.27

6.21

Aluminum Bronze

110

0.30

10.73

Monel

180

0.34

6.56

The finite element mesh is used to discritized the different RVEs as shown in Fig. 3. One layer of elements is
used for the BNNT in this mesh, which is found to be fine enough to deliver converged FEM results. Small elements
are comparable in sizes to those for the BNNT and also needed in the matrix surrounding the BNNT to ensure the
connectivity and to avoid elements with large aspect ratios.

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Fig. 3 Finite element meshes for different RVEs (a) square RVE; (b) cylindrical RVE; (c) hexagonal RVE.

The FEM results for the Youngs modulus of the BNNT based composite studied are listed in Table 2. The
strength of materials solutions for the effective Youngs modulus E z is also listed in Table 2, for comparison. The
strength of materials solutions in Eq. (2) are almost identical to those using the FEM.
Table 2. FEM and analytical results for Youngs modulus of BNNT based composites.
Matrix Material (Em, GPa)

FEM Results
Square RVE

Cylindrical RVE

Analytical Results
Hexagonal RVE

Ez (GPa)

Ez/Em

Ez (GPa)

Ez/Em

Ez (GPa)

Ez/Em

Ez (GPa)

Ez/Em

Ceramic (Em=220)

251.7

1.144

247

1.122

255

1.159

268

1.218

Brass (Em=100)

150

1.5

150.4

1.504

152.4

1.524

154

1.54

Alloy Steel (Em=210)

253.4

1.21

253

1.204

255

1.214

258.5

1.23

Malleable CI (Em=190)

231

1.216

232

1.22

236

1.242

239.5

1.26

Al-Bronze (Em=110)

159.8

1.45

161.16

1.465

162.7

1.48

163.5

1.486

Monel (Em=180)

226.2

1.257

225

1.25

228

1.267

230

1.278

From Fig. 4, it is clear that values for hexagonal RVE is nearly identical to analytical values as compared to
cylindrical and square RVE, therefore hexagonal RVE is preferred for further analysis in this paper.

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Sandesh Trivedi et al. / Procedia Materials Science 6 (2014) 1899 1905

300

Analytical

Hex. RVE

Cyl. RVE

Sq. RVE

250

Ez(GPa)

200
150
100
50
0

Ceramic

Alloy
Steel

Malleable

CI

Monel

Al-Bronze

Brass

Matrix material

Fig. 4. Comparison of effective Youngs modulus Ez (GPa) for different matrix materials and RVEs.

The results shown in Table 3, for hexagonal RVE reveal that the increase of the stiffness of the composite can be
significant, especially in the BNNT axial direction. With the volume fraction of the BNNT being at only about 5%,
the stiffness of the composite in the axial direction E z can also increase by 15 to 55% compared with that of the
different matrix material.
Table 3. Percentage increase in strength of matrix material after reinforcement with 5% BNNT
Matrix Material

Hexagonal RVE
Em (GPa)

Ez (GPa)

{(Ez-Em)/Em}*100%

Ceramic

220

255

15.9

Brass

100

152.4

52.4

Alloy steel

210

255

21.43

Malleable C.I.

190

236

24.21

Al- Bronze

110

162.7

47.9

Monel

180

228

26.67

5. Conclusions
The Youngs modulus of BNNT based composites are evaluated using a 3-D nanoscale representative volume
element (RVE) based on continuum mechanics and using the finite element method (FEM). It is concluded that
values for hexagonal RVE is nearly identical to analytical values as compared to cylindrical and square RVE. Also,
it is observed that for hexagonal RVE, the increase in the strength of the composite can be significant, especially in
the axial direction of BNNT. With the volume fraction of the BNNT being at only about 5%, the strength of the
composite in the axial direction Ez can increase by 15 to 55% as compared with that of the different matrix material.
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